data_6rfm_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6rfm _Structure_validation_residue.Date_analyzed 2020-05-08 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 ' 419' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 C--O 1.216 -0.661 0 N-CA-C 108.16 -1.052 . . . . 50.0 108.16 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 63.8 t -67.25 -33.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.111 0.482 . . . . 50.0 109.981 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 61.2 m -66.27 -39.51 89.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.857 -0.337 . . . . 50.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.65 -36.12 62.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.711 0.767 . . . . 25.0 109.056 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 61.3 ttp -63.04 -37.23 86.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.739 -0.664 . . . . 50.0 109.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.78 71.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.504 -0.316 . . . . 25.0 110.806 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.69 78.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.01 -43.55 92.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.388 -0.597 . . . . 50.0 109.388 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.73 -45.76 85.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.353 . . . . 50.0 110.147 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.44 93.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.693 0.282 . . . . 25.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.19 84.39 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.537 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.85 -42.51 99.78 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.635 0.731 . . . . 50.0 110.328 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.27 -43.05 82.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.381 -0.827 . . . . 50.0 111.082 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -76.15 -32.14 58.94 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.454 -0.898 . . . . 50.0 113.274 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.7 tpp -62.88 -35.11 78.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.045 0.45 . . . . 50.0 110.018 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 73.8 m -57.15 -35.36 69.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.365 0.602 . . . . 25.0 110.169 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -67.02 -42.69 84.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.879 -0.786 . . . . 50.0 108.879 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.36 -44.97 93.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.55 -0.75 . . . . 50.0 111.378 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 21.8 m -69.08 -33.68 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.316 0.487 . . . . 50.0 112.316 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--N 1.322 -0.605 0 O-C-N 122.295 -0.253 . . . . 50.0 110.6 177.105 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.322 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -36.8 84.36 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 122.179 -0.325 . . . . 50.0 110.611 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -59.29 -34.74 72.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.48 -0.763 . . . . 50.0 111.08 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.65 -48.5 55.87 Favored Glycine 0 C--O 1.22 -0.742 0 N-CA-C 108.02 -2.032 . . . . 50.0 108.02 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.33 63.19 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -69.33 -41.78 76.19 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.061 -0.399 . . . . 50.0 111.7 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.37 79.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.325 0.583 . . . . 25.0 110.32 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -69.72 -26.46 30.67 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 CA-C-N 116.224 -0.443 . . . . 50.0 110.705 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.9 -30.56 61.79 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.63 91.69 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -36.47 67.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.424 ' HA ' HG13 ' A' ' 476' ' ' VAL . 72.4 mm-40 -65.82 -47.23 75.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.473 0.546 . . . . 50.0 112.473 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -62.67 -28.16 69.74 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.471 -0.492 . . . . 50.0 109.683 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -51.84 16.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.993 -0.549 . . . . 50.0 110.793 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 473' ' ' GLN . 14.2 p -63.23 -35.51 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 118.786 0.721 . . . . 50.0 109.596 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -62.1 -36.18 80.95 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.509 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.91 91.74 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.785 -0.366 . . . . 25.0 110.451 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.52 -32.9 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.473 -0.491 . . . . 50.0 109.817 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.12 67.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.35 0.595 . . . . 25.0 109.47 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.35 -42.96 43.08 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 121.42 0.629 . . . . 50.0 109.615 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -63.28 -26.89 68.99 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 116.386 -0.37 . . . . 50.0 111.874 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 20.0 p -83.79 -33.6 24.93 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.902 -0.719 . . . . 25.0 109.947 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.88 -25.78 43.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.048 -0.661 . . . . 50.0 110.204 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.445 -0.683 0 O-C-N 121.769 -0.582 . . . . 50.0 110.584 175.209 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 . . . . . 0 C--O 1.215 -0.732 0 N-CA-C 110.281 -0.266 . . . . 50.0 110.281 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.35 -34.71 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 122.226 -0.296 . . . . 50.0 110.392 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.1 m -67.8 -40.51 83.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.813 -0.554 . . . . 50.0 109.782 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -70.66 -32.23 69.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.9 mtp -63.52 -40.97 98.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.946 0.403 . . . . 50.0 110.724 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.35 -33.27 73.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.41 0.624 . . . . 25.0 109.969 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.33 -44.76 64.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.312 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.75 -31.54 51.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 C-N-CA 120.908 -0.317 . . . . 50.0 111.032 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -55.55 -44.25 76.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.731 -0.47 . . . . 50.0 109.731 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.43 81.46 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 122.202 -0.311 . . . . 25.0 110.925 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.52 93.02 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.673 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -60.65 -46.62 89.63 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.487 0.66 . . . . 50.0 109.433 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 56.7 mt -57.89 -44.66 86.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.444 -0.798 . . . . 50.0 112.046 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -74.76 -32.94 62.2 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 119.404 -0.919 . . . . 50.0 112.398 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 70.2 mtm -67.67 -33.86 75.77 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.491 0.587 . . . . 50.0 110.25 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 89.9 m -56.48 -36.99 69.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -65.4 -40.16 93.08 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 121.565 -0.709 . . . . 50.0 110.412 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -67.81 -44.32 77.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.735 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.78 -32.34 54.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 112.655 0.613 . . . . 50.0 112.655 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.322 -0.63 0 CA-C-O 120.578 0.228 . . . . 50.0 111.482 177.291 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.467 0.175 . . . . 25.0 110.823 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -37.54 87.52 Favored 'General case' 0 C--O 1.211 -0.935 0 C-N-CA 120.796 -0.362 . . . . 50.0 111.39 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.12 -36.56 73.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 118.93 0.786 . . . . 50.0 110.915 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.11 -49.06 42.92 Favored Glycine 0 C--O 1.219 -0.794 0 N-CA-C 108.689 -1.764 . . . . 50.0 108.689 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.26 67.2 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -71.04 -43.82 67.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.103 0.478 . . . . 50.0 110.603 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.33 95.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.12 -33.84 52.68 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.203 0 C-N-CA 120.035 -0.666 . . . . 50.0 109.729 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.34 75.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.06 0.845 . . . . 25.0 111.226 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.85 88.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.78 67.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.798 -0.183 . . . . 25.0 110.562 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -65.13 -46.47 80.86 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.015 -0.428 . . . . 50.0 111.789 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -64.67 -27.47 68.95 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.791 -0.568 . . . . 50.0 109.548 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -53.18 11.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.734 -0.666 . . . . 50.0 110.628 176.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 12.5 p -63.25 -36.04 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 118.58 0.627 . . . . 50.0 109.906 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -63.76 -33.63 76.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.525 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.13 99.48 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.652 -0.419 . . . . 25.0 109.996 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.73 -34.1 50.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 110.027 -0.36 . . . . 50.0 110.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.9 -26.93 64.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.486 0.66 . . . . 25.0 109.843 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.4 mt -78.24 -42.72 30.3 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 109.386 -0.598 . . . . 50.0 109.386 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.4 mtm -62.53 -26.06 68.37 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 111.892 0.33 . . . . 50.0 111.892 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.6 p -79.3 -35.74 40.71 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.413 -0.915 . . . . 25.0 110.467 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -79.94 -32.9 40.0 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.262 -0.575 . . . . 50.0 110.476 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.329 -0.32 0 N-CA-C 108.925 -0.768 . . . . 50.0 108.925 177.135 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.218 -0.6 0 N-CA-C 108.31 -0.996 . . . . 50.0 108.31 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 52.4 t -72.03 -26.28 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.9 -0.591 . . . . 50.0 110.753 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.7 m -67.48 -39.34 85.26 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.577 -0.702 . . . . 50.0 109.538 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -75.84 -31.88 59.54 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.74 -39.28 88.12 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.768 -0.651 . . . . 50.0 109.464 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.25 -32.36 72.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.864 0.364 . . . . 25.0 111.087 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.6 -46.44 59.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.769 0.318 . . . . 25.0 110.614 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.04 -33.12 57.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 C-N-CA 121.112 -0.235 . . . . 50.0 110.438 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.46 -43.53 79.66 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.958 0.408 . . . . 50.0 110.005 175.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.57 87.99 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 122.093 -0.379 . . . . 25.0 110.601 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.78 -42.29 81.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.395 . . . . 25.0 110.278 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -61.85 -43.21 99.32 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 109.62 -0.511 . . . . 50.0 109.62 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.78 -45.79 85.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.128 -0.487 . . . . 50.0 112.098 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.74 -33.61 64.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 119.357 -0.937 . . . . 50.0 111.92 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 72.5 mtm -66.99 -34.63 78.17 Favored 'General case' 0 C--O 1.221 -0.418 0 O-C-N 121.802 -0.561 . . . . 50.0 109.52 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 85.6 m -61.58 -38.56 88.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.64 -38.31 86.64 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.43 -0.582 . . . . 50.0 109.43 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -65.47 -48.54 72.3 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.202 0.445 . . . . 50.0 112.202 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.44 -36.76 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 113.842 1.053 . . . . 50.0 113.842 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.323 -0.584 0 O-C-N 122.195 -0.315 . . . . 50.0 111.637 178.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.062 -0.347 . . . . 25.0 110.062 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -36.27 82.26 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 120.75 -0.38 . . . . 50.0 110.645 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -60.44 -36.4 78.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.834 0.743 . . . . 50.0 110.28 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.09 -44.76 65.14 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 109.198 -1.561 . . . . 50.0 109.198 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.43 -39.91 64.75 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 122.843 0.457 . . . . 25.0 112.027 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -65.27 -44.2 88.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.084 0.469 . . . . 50.0 111.433 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.5 75.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.157 0.503 . . . . 25.0 110.9 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.0 m -69.79 -26.71 31.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 CA-C-N 116.551 -0.295 . . . . 50.0 110.925 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.11 -34.27 65.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.034 0.379 . . . . 25.0 111.342 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.23 90.3 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.22 67.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.581 0.229 . . . . 25.0 110.516 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.41 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.6 mm-40 -67.55 -46.7 71.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.018 -0.426 . . . . 50.0 111.987 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -63.89 -27.91 69.48 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.035 -0.666 . . . . 50.0 109.468 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -52.09 19.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 50.0 110.887 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.8 p -63.24 -35.9 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 118.642 0.656 . . . . 50.0 109.798 -176.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.57 -35.22 79.79 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.937 -0.574 . . . . 25.0 110.34 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.9 94.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.569 -0.453 . . . . 25.0 110.203 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.11 -34.52 59.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 109.703 -0.48 . . . . 50.0 109.703 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.73 -26.91 64.41 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.311 0.576 . . . . 25.0 109.843 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.0 mt -80.7 -42.25 22.28 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.281 0.562 . . . . 50.0 109.922 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.1 mtm -61.82 -27.56 68.86 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.565 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.8 p -77.93 -34.07 51.4 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 119.458 -0.897 . . . . 25.0 110.628 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -82.25 -27.7 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.366 -0.534 . . . . 50.0 111.317 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.452 -0.351 0 O-C-N 121.65 -0.656 . . . . 50.0 110.554 177.058 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 . . . . . 0 C--O 1.213 -0.825 0 N-CA-C 109.49 -0.559 . . . . 50.0 109.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.75 -34.21 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.518 -0.31 . . . . 50.0 110.896 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.4 m -68.0 -41.65 81.95 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.003 -0.436 . . . . 50.0 110.388 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -73.69 -31.19 63.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.024 0.44 . . . . 25.0 110.031 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 51.4 ttp -64.86 -42.47 94.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.665 -0.865 . . . . 50.0 108.665 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.73 76.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.127 0.489 . . . . 25.0 110.584 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.37 75.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.201 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.6 p -71.55 -33.25 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.911 -0.316 . . . . 50.0 110.6 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -57.64 -47.37 82.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.147 -0.686 . . . . 50.0 109.147 175.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.59 94.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 25.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.45 92.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 25.0 111.737 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 20.3 pt-20 -72.68 -31.26 64.91 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.304 -0.959 . . . . 50.0 110.479 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.36 -47.95 79.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.4 -0.52 . . . . 50.0 110.048 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -71.29 -33.75 70.0 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 119.905 -0.718 . . . . 50.0 112.873 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' MET . . . . . 0.477 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 21.8 ptp -68.1 -33.14 73.96 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.497 -0.881 . . . . 50.0 109.863 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 79.9 m -65.7 -37.7 87.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.195 0.522 . . . . 25.0 109.668 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -65.15 -37.86 88.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.326 -0.859 . . . . 50.0 109.388 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -66.74 -39.68 88.03 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.622 0.971 . . . . 50.0 113.622 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.2 m -77.02 -24.53 15.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.52 0 N-CA-C 114.127 1.158 . . . . 50.0 114.127 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--N 1.315 -0.9 0 N-CA-C 109.893 -0.41 . . . . 50.0 109.893 175.34 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 110.432 -0.211 . . . . 25.0 110.432 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -37.64 87.64 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.916 -0.49 . . . . 50.0 109.798 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -65.77 -32.96 74.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.804 -0.56 . . . . 50.0 110.595 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -64.7 -48.8 68.54 Favored Glycine 0 C--O 1.221 -0.678 0 N-CA-C 107.48 -2.248 . . . . 50.0 107.48 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.78 68.56 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.426 0.291 . . . . 25.0 111.698 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -64.29 -46.39 83.83 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.176 0.512 . . . . 50.0 110.602 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.85 73.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.444 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.79 -26.42 32.79 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.83 0 C-N-CA 120.719 -0.392 . . . . 50.0 110.311 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.44 -31.46 65.93 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.253 0.479 . . . . 25.0 111.254 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.14 87.65 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -37.51 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.151 -0.314 . . . . 25.0 110.151 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.409 ' HA ' HG11 ' A' ' 476' ' ' VAL . 67.0 mm-40 -65.67 -47.04 76.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.601 0.593 . . . . 50.0 112.601 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -63.07 -27.9 69.71 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.467 -0.568 . . . . 50.0 109.467 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -51.51 16.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.765 -0.652 . . . . 50.0 111.139 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 473' ' ' GLN . 14.7 p -63.48 -36.57 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.777 0.717 . . . . 50.0 109.527 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -62.93 -35.9 81.62 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.274 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.58 95.29 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.597 -0.441 . . . . 25.0 110.242 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -71.54 -34.31 52.4 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 O-C-N 122.027 -0.42 . . . . 50.0 109.932 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.67 -26.96 65.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.545 0.688 . . . . 25.0 109.425 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.18 -42.31 23.61 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.6 mtm -61.39 -27.88 68.84 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 120.583 -0.447 . . . . 50.0 112.114 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.7 p -80.72 -35.27 33.71 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.977 -0.689 . . . . 25.0 110.263 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.59 -24.65 39.01 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.31 -0.556 . . . . 50.0 110.374 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 N--CA 1.451 -0.383 0 O-C-N 121.972 -0.455 . . . . 50.0 110.161 176.355 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--O 1.216 -0.664 0 CA-C-O 121.038 0.447 . . . . 50.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 28.0 t -74.16 -29.87 25.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.444 -0.576 . . . . 50.0 109.444 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 30.5 m -67.95 -36.68 80.52 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.948 -0.47 . . . . 50.0 109.811 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -74.56 -30.55 61.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.605 0.716 . . . . 25.0 109.58 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.34 -28.99 69.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.191 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.86 74.71 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.988 0.423 . . . . 25.0 110.197 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.52 -36.4 65.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 80.5 t -63.09 -44.66 99.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.026 -0.731 . . . . 50.0 109.026 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -56.53 -48.06 78.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.072 0.463 . . . . 50.0 110.819 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.09 97.61 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.465 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.6 -48.1 73.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 25.0 111.997 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.9 -33.06 73.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.588 -0.695 . . . . 50.0 110.23 -177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 35.6 mt -64.24 -46.23 84.68 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.747 -0.381 . . . . 50.0 110.092 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -73.69 -32.31 63.87 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.679 -0.809 . . . . 50.0 111.845 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 51.7 mtm -63.65 -41.74 98.18 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 109.323 -0.621 . . . . 50.0 109.323 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.4 m -57.89 -40.18 79.67 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.269 0.557 . . . . 25.0 110.905 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -64.53 -45.11 88.59 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.41 0.624 . . . . 50.0 109.953 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -64.79 -40.65 95.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.406 -0.815 . . . . 50.0 110.598 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.2 -37.19 72.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 123.983 0.913 . . . . 50.0 111.519 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 122.022 -0.424 . . . . 50.0 111.895 179.563 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 111.441 0.163 . . . . 25.0 111.441 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -34.03 77.33 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.985 -0.447 . . . . 50.0 110.515 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -59.22 -36.29 75.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.164 -0.614 . . . . 50.0 110.017 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.03 -43.07 58.09 Favored Glycine 0 C--O 1.221 -0.683 0 N-CA-C 109.35 -1.5 . . . . 50.0 109.35 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.37 -40.07 64.69 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.85 0.46 . . . . 25.0 111.897 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -64.75 -43.02 94.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.069 0.462 . . . . 50.0 111.97 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.32 68.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.213 0.53 . . . . 25.0 111.009 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.9 m -68.26 -27.28 36.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 116.434 -0.348 . . . . 50.0 110.695 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -54.55 -32.87 59.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 117.739 0.245 . . . . 25.0 111.492 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.61 91.59 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.95 66.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.73 0.3 . . . . 25.0 110.788 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.419 ' HA ' HG13 ' A' ' 476' ' ' VAL . 57.3 mm-40 -69.73 -45.65 67.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.085 0.469 . . . . 50.0 111.45 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -64.84 -26.43 68.33 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.96 -0.696 . . . . 50.0 109.392 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -50.63 24.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.895 -0.593 . . . . 50.0 110.582 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.419 HG13 ' HA ' ' A' ' 473' ' ' GLN . 9.7 p -63.48 -37.04 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.074 -0.713 . . . . 50.0 109.074 -177.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -63.37 -36.06 82.45 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.994 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.84 89.51 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.612 -0.435 . . . . 25.0 110.282 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.59 -35.22 65.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 N-CA-C 109.674 -0.491 . . . . 50.0 109.674 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.03 -27.71 65.73 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.4 mt -81.23 -43.22 19.55 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.021 0.439 . . . . 50.0 110.568 176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.6 mtm -59.05 -26.43 64.59 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 111.931 0.345 . . . . 50.0 111.931 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.9 p -77.95 -37.27 47.9 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.062 -1.055 . . . . 25.0 110.038 -176.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -83.71 -24.34 31.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.018 0.377 . . . . 50.0 112.018 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 N--CA 1.45 -0.461 0 CA-C-N 118.213 0.46 . . . . 50.0 111.659 176.889 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.219 -0.507 0 N-CA-C 107.972 -1.121 . . . . 50.0 107.972 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.96 -32.91 60.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.819 -0.628 . . . . 50.0 110.405 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 69.7 m -63.29 -41.65 99.0 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.028 -0.42 . . . . 50.0 111.216 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -75.76 -35.26 60.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.611 0.719 . . . . 25.0 109.635 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.3 ttp -62.92 -36.18 82.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.557 . . . . 50.0 110.4 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.36 -31.17 72.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.899 0.38 . . . . 25.0 110.661 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.35 75.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.25 -44.75 87.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.301 -0.629 . . . . 50.0 109.301 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.36 -44.33 88.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.136 0.493 . . . . 50.0 109.949 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.91 87.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.501 -0.318 . . . . 25.0 110.409 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.15 84.35 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.99 -45.68 92.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.469 0.652 . . . . 50.0 109.685 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.94 -38.44 91.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.481 0.658 . . . . 50.0 110.372 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -33.36 68.0 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.024 -0.535 . . . . 50.0 110.869 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.4 mtm -71.6 -39.18 70.67 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.143 -0.973 . . . . 50.0 109.536 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 62.1 m -59.34 -43.09 92.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.665 0.269 . . . . 25.0 111.706 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -66.12 -31.29 72.06 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 119.621 -0.832 . . . . 50.0 110.159 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -72.37 -44.57 62.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.946 1.091 . . . . 50.0 113.946 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.97 -30.76 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 112.937 0.718 . . . . 50.0 112.937 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.943 -0.571 . . . . 50.0 112.385 178.063 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.341 0.115 . . . . 25.0 110.812 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -36.9 85.47 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 120.713 -0.395 . . . . 50.0 111.075 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -62.0 -34.46 76.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.607 -0.683 . . . . 50.0 110.343 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.8 -48.18 62.8 Favored Glycine 0 C--O 1.218 -0.86 0 N-CA-C 108.106 -1.998 . . . . 50.0 108.106 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.72 65.07 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -67.12 -45.62 76.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.23 0.538 . . . . 50.0 111.092 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.28 84.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.011 0.434 . . . . 25.0 110.92 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.44 -31.33 50.84 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 C-N-CA 120.811 -0.355 . . . . 50.0 110.337 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.22 66.7 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.188 0.449 . . . . 25.0 111.547 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.03 89.61 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.938 0.399 . . . . 25.0 109.972 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.78 -34.01 66.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.325 -0.235 . . . . 25.0 110.596 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG13 ' A' ' 476' ' ' VAL . 57.1 mm-40 -68.66 -45.97 70.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.955 -0.466 . . . . 50.0 111.57 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.4 -27.3 69.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.188 -0.671 . . . . 50.0 109.188 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -52.32 13.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.774 -0.648 . . . . 50.0 110.783 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 473' ' ' GLN . 12.2 p -63.37 -36.7 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 118.694 0.679 . . . . 50.0 109.551 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -63.36 -35.88 81.87 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.987 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.67 87.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.047 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -69.37 -35.81 69.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.55 -0.46 . . . . 50.0 109.769 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.66 -27.14 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.781 -0.451 . . . . 25.0 109.781 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.38 -43.08 19.52 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.905 0.383 . . . . 50.0 111.164 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.6 mtm -59.22 -24.04 62.81 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 115.972 -0.558 . . . . 50.0 112.06 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.2 p -78.74 -31.22 46.21 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.464 -0.894 . . . . 25.0 109.685 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -79.52 -39.86 30.98 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.818 0.818 . . . . 50.0 109.059 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 114.798 -1.092 . . . . 50.0 109.254 176.009 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 . . . . . 0 C--O 1.216 -0.708 0 CA-C-O 120.829 0.347 . . . . 50.0 110.658 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.5 t -74.25 -35.11 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.375 -0.972 . . . . 50.0 108.375 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.3 m -68.87 -36.53 78.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.92 0.391 . . . . 50.0 110.189 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.96 -34.59 75.59 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.338 -0.616 . . . . 25.0 109.338 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 35.0 ttm -60.55 -39.33 87.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.122 0.487 . . . . 50.0 110.366 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.77 -30.07 69.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.562 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.75 -36.81 73.3 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.65 -45.14 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.715 -0.846 . . . . 50.0 108.715 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.84 -44.01 90.86 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.114 -0.328 . . . . 50.0 110.114 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.99 91.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.338 -0.226 . . . . 25.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.95 87.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.743 0.306 . . . . 25.0 110.766 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.06 -41.63 97.29 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.556 0.693 . . . . 50.0 109.645 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.47 -47.28 82.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.628 -0.715 . . . . 50.0 111.576 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -69.39 -32.22 71.1 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.642 -0.823 . . . . 50.0 111.328 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 64.7 mtm -64.79 -42.2 95.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 46.0 m -62.76 -39.72 95.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.943 0.402 . . . . 25.0 110.343 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -65.37 -41.03 94.23 Favored 'General case' 0 CA--C 1.511 -0.555 0 O-C-N 121.266 -0.896 . . . . 50.0 110.24 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.49 -47.74 84.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.531 -0.759 . . . . 50.0 112.23 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.81 -37.58 79.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.662 -0.415 . . . . 50.0 112.001 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--N 1.323 -0.548 0 O-C-N 122.249 -0.282 . . . . 50.0 111.438 178.609 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.404 0 CA-C-O 119.996 -0.05 . . . . 25.0 111.076 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -36.45 84.15 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 122.041 -0.412 . . . . 50.0 110.531 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -64.16 -35.27 80.22 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.195 -0.602 . . . . 50.0 110.177 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.36 -43.72 77.48 Favored Glycine 0 C--O 1.216 -1.026 0 N-CA-C 108.783 -1.727 . . . . 50.0 108.783 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.77 -35.83 66.68 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 122.671 0.388 . . . . 25.0 111.561 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -72.42 -41.26 66.42 Favored 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.96 89.29 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.188 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.33 -27.91 36.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 N-CA-C 110.234 -0.284 . . . . 50.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.09 -31.41 67.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.233 0.469 . . . . 25.0 111.507 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.02 89.54 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.97 66.97 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 120.643 0.259 . . . . 25.0 110.351 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.402 ' HA ' HG11 ' A' ' 476' ' ' VAL . 68.6 mm-40 -67.15 -46.13 74.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 -178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.37 -27.55 69.15 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.27 -52.32 10.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.596 -0.729 . . . . 50.0 111.219 178.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.402 HG11 ' HA ' ' A' ' 473' ' ' GLN . 12.3 p -63.44 -36.46 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 118.55 0.614 . . . . 50.0 110.263 -175.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -63.57 -33.73 76.24 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.34 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.9 96.17 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.465 -0.494 . . . . 25.0 109.997 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.06 -32.77 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.799 -0.445 . . . . 50.0 109.799 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.72 -27.64 65.09 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.34 -43.78 18.56 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.103 0.478 . . . . 50.0 110.088 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.1 mtm -61.03 -26.87 67.92 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 120.886 0.374 . . . . 50.0 111.753 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.1 p -80.23 -33.69 37.83 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 119.684 -0.806 . . . . 25.0 110.567 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -81.7 -27.14 34.1 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.147 -0.621 . . . . 50.0 111.007 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 N--CA 1.449 -0.479 0 O-C-N 121.811 -0.556 . . . . 50.0 110.936 176.485 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.217 -0.626 0 N-CA-C 108.21 -1.033 . . . . 50.0 108.21 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 45.1 t -71.55 -30.38 38.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.931 -0.577 . . . . 50.0 110.865 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.8 m -64.66 -41.47 96.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.716 -0.615 . . . . 50.0 109.829 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -74.82 -31.25 61.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.054 -0.521 . . . . 25.0 109.761 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 41.6 ttm -62.12 -44.21 97.13 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.209 -0.663 . . . . 50.0 109.209 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.6 -34.58 78.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.021 0.439 . . . . 25.0 110.664 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.17 75.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.511 -0.313 . . . . 25.0 111.223 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.43 -35.49 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.807 0.337 . . . . 50.0 110.516 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -60.36 -42.82 96.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.826 -0.435 . . . . 50.0 109.826 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.79 -37.38 87.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.708 0.29 . . . . 25.0 110.729 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.12 84.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.389 -0.369 . . . . 25.0 110.344 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.47 -42.47 99.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.944 0.878 . . . . 50.0 109.634 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 40.6 mt -59.67 -43.21 94.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.846 . . . . 50.0 111.615 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -73.71 -32.07 63.72 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.611 -0.835 . . . . 50.0 111.932 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.9 tpp -61.66 -38.53 88.07 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.091 -0.707 . . . . 50.0 109.091 176.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 50.2 m -60.66 -36.77 79.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.303 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -66.39 -44.54 82.77 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.337 -0.986 . . . . 50.0 108.337 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.56 -45.28 92.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.093 -0.958 . . . . 50.0 112.443 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.97 -35.89 66.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.593 0.59 . . . . 50.0 112.593 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 122.188 -0.32 . . . . 50.0 111.366 178.831 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 109.901 -0.407 . . . . 25.0 109.901 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -38.44 84.45 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 120.171 -0.612 . . . . 50.0 110.318 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.56 -35.6 76.43 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.737 -0.602 . . . . 50.0 110.131 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.6 -47.37 62.5 Favored Glycine 0 C--O 1.221 -0.657 0 N-CA-C 109.223 -1.551 . . . . 50.0 109.223 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.31 -39.42 64.02 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.845 0.458 . . . . 25.0 112.125 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -66.18 -44.11 84.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.166 0.508 . . . . 50.0 111.057 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.81 69.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.006 0.431 . . . . 25.0 111.601 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 24.0 m -66.49 -26.58 37.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 116.636 -0.256 . . . . 50.0 110.403 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.11 61.17 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.355 -0.215 . . . . 25.0 111.489 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.19 -37.71 84.13 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.88 0.371 . . . . 25.0 110.108 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.77 -31.77 65.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.662 0.268 . . . . 25.0 110.756 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.424 ' HA ' HG13 ' A' ' 476' ' ' VAL . 47.2 mm-40 -72.02 -45.76 59.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.384 0.612 . . . . 50.0 111.772 -176.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -63.22 -27.55 69.43 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.656 -0.868 . . . . 50.0 108.656 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.17 -52.71 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.001 -0.545 . . . . 50.0 111.16 177.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 473' ' ' GLN . 13.7 p -62.74 -36.21 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 118.735 0.698 . . . . 50.0 109.72 -175.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -62.79 -36.61 83.69 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.884 -0.598 . . . . 25.0 110.408 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.23 91.07 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.699 -0.401 . . . . 25.0 110.479 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -71.54 -35.29 55.87 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 C-N-CA 120.397 -0.521 . . . . 50.0 109.84 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.6 66.29 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.441 0.638 . . . . 25.0 110.054 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.49 -41.8 38.08 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 121.321 0.582 . . . . 50.0 109.867 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.0 mtm -62.91 -28.29 69.95 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.601 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.3 p -80.39 -34.76 36.08 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.671 -0.811 . . . . 25.0 110.114 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -81.47 -23.56 37.34 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.391 -0.524 . . . . 50.0 110.977 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 N--CA 1.453 -0.289 0 O-C-N 121.669 -0.644 . . . . 50.0 110.924 176.462 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 . . . . . 0 C--O 1.213 -0.858 0 CA-C-O 121.25 0.547 . . . . 50.0 110.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.8 -36.08 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.579 -0.526 . . . . 50.0 109.579 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.9 m -68.67 -40.55 80.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.66 0.267 . . . . 50.0 110.636 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -70.57 -34.67 72.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.5 ttp -66.54 -31.82 72.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.953 0.406 . . . . 50.0 109.939 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.81 69.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.925 -0.484 . . . . 25.0 109.737 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.45 -34.96 70.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.03 -44.03 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.526 -0.916 . . . . 50.0 108.526 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.1 -44.9 92.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.689 -0.485 . . . . 50.0 109.689 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.34 91.53 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.181 -0.324 . . . . 25.0 110.46 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.26 -44.77 87.05 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.553 -0.294 . . . . 25.0 110.219 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.86 -45.4 94.66 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 121.606 0.717 . . . . 50.0 109.512 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.5 -44.16 97.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.643 -0.708 . . . . 50.0 111.622 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -75.74 -35.28 60.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.338 -0.945 . . . . 50.0 112.784 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 67.6 mtm -62.48 -38.77 91.13 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 118.34 0.518 . . . . 50.0 110.17 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.0 m -53.03 -35.34 59.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.543 0.687 . . . . 25.0 110.718 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -66.98 -38.34 85.86 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.767 -0.583 . . . . 50.0 112.328 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -76.96 -39.03 52.05 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.939 -0.763 . . . . 50.0 108.939 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.55 -40.21 67.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 123.39 0.676 . . . . 50.0 111.599 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 113.566 0.95 . . . . 50.0 113.566 179.746 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.912 -0.403 . . . . 25.0 109.912 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -38.57 86.49 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-O 119.116 -0.468 . . . . 50.0 110.906 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -54.97 -39.52 69.07 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.1 0.863 . . . . 50.0 110.44 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.87 -50.02 25.95 Favored Glycine 0 C--O 1.218 -0.883 0 N-CA-C 109.895 -1.282 . . . . 50.0 109.895 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.21 66.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -71.61 -43.18 66.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.05 0.452 . . . . 50.0 110.109 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.26 87.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.939 0.4 . . . . 25.0 110.142 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.2 m -70.44 -28.68 35.9 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.297 0 C-N-CA 120.464 -0.494 . . . . 50.0 110.402 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.26 -36.16 72.82 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.028 0.831 . . . . 25.0 110.693 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.37 87.38 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.78 65.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.631 -0.259 . . . . 25.0 110.96 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.429 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.6 mm-40 -71.1 -45.81 62.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.88 -0.512 . . . . 50.0 111.352 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -63.29 -27.7 69.51 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.021 -0.733 . . . . 50.0 109.021 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.26 -52.44 13.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.955 -0.566 . . . . 50.0 110.946 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.8 p -63.4 -35.32 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 O-C-N 121.627 -0.671 . . . . 50.0 109.46 -176.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -62.68 -36.77 83.97 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.233 -0.44 . . . . 25.0 110.553 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.3 96.52 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.571 -0.451 . . . . 25.0 109.821 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.3 mt -72.17 -34.46 49.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 N-CA-C 110.027 -0.36 . . . . 50.0 110.027 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.35 -26.98 65.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.364 0.602 . . . . 25.0 109.75 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.8 mt -77.05 -43.1 35.75 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.791 -0.818 . . . . 50.0 108.791 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.7 mtm -62.32 -28.93 70.09 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 122.099 -0.376 . . . . 50.0 111.298 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.5 p -80.31 -12.34 59.61 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.296 -0.562 . . . . 25.0 112.074 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -108.97 -33.64 6.85 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 111.768 0.285 . . . . 50.0 111.768 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.45 -0.456 0 O-C-N 121.614 -0.679 . . . . 50.0 110.135 178.163 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 . . . . . 0 C--O 1.212 -0.894 0 CA-C-O 120.474 0.178 . . . . 50.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 63.4 t -72.66 -35.17 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 108.624 -0.88 . . . . 50.0 108.624 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.0 m -68.03 -39.67 83.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.566 -0.531 . . . . 50.0 109.566 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -68.14 -37.54 81.18 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 57.7 ttp -65.2 -32.44 74.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.129 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.59 -32.78 74.35 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.208 0.528 . . . . 25.0 110.029 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.81 65.56 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.41 -44.0 97.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.445 0 N-CA-C 108.879 -0.785 . . . . 50.0 108.879 177.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.86 -43.71 81.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.711 0.291 . . . . 50.0 110.823 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.78 99.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.76 -0.376 . . . . 25.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.18 85.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.785 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.36 -41.95 98.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.515 -0.55 . . . . 50.0 109.515 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 32.2 mt -61.22 -43.6 98.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.2 0.445 . . . . 50.0 112.2 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.9 -35.61 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.843 -0.743 . . . . 50.0 111.073 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.3 mtm -64.1 -37.73 88.49 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.827 -0.545 . . . . 50.0 109.706 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 83.7 m -58.23 -37.27 74.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.955 0.407 . . . . 25.0 110.344 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -66.17 -46.29 77.88 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.308 -0.87 . . . . 50.0 109.319 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.24 -42.94 99.27 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 113.372 0.879 . . . . 50.0 113.372 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.21 -38.06 80.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.554 -0.458 . . . . 50.0 112.115 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 121.992 -0.442 . . . . 50.0 110.796 178.684 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 120.499 0.19 . . . . 25.0 110.502 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -40.37 90.86 Favored 'General case' 0 C--O 1.212 -0.879 0 C-N-CA 120.655 -0.418 . . . . 50.0 110.692 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.0 -33.35 75.54 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.569 -0.707 . . . . 50.0 111.091 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.24 -48.15 66.54 Favored Glycine 0 C--O 1.22 -0.771 0 N-CA-C 107.731 -2.148 . . . . 50.0 107.731 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.73 -38.39 72.3 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 116.613 0.206 . . . . 25.0 111.311 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -66.5 -45.33 79.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.098 0.475 . . . . 50.0 110.672 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.27 87.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.203 0.525 . . . . 25.0 110.409 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.0 m -70.33 -29.06 37.63 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 C-N-CA 120.014 -0.674 . . . . 50.0 110.737 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.84 -35.25 72.61 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.845 0.748 . . . . 25.0 110.471 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.0 89.52 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.26 67.43 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 122.248 -0.283 . . . . 25.0 110.939 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -69.08 -45.55 70.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.615 -0.678 . . . . 50.0 112.673 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 12.4 ptm85 -62.1 -27.82 69.19 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 108.639 -0.874 . . . . 50.0 108.639 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.8 tp -76.25 -52.98 8.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.579 -0.737 . . . . 50.0 111.595 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 8.4 p -63.88 -37.97 81.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.827 -0.546 . . . . 50.0 110.006 -175.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -64.34 -35.56 81.29 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.41 97.41 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.695 -0.628 . . . . 25.0 109.886 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.4 -36.56 67.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.18 -27.13 65.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.201 0.524 . . . . 25.0 109.839 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.13 -39.95 28.42 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 109.346 -0.613 . . . . 50.0 109.346 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.0 mtm -62.59 -29.08 70.33 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.698 -0.626 . . . . 50.0 111.294 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.5 p -81.61 -15.72 53.79 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.389 -0.524 . . . . 25.0 112.17 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.21 -26.21 13.07 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.037 -0.265 . . . . 50.0 110.994 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.333 -0.147 0 O-C-N 121.868 -0.52 . . . . 50.0 111.682 177.629 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 C--O 1.216 -0.666 0 N-CA-C 109.037 -0.727 . . . . 50.0 109.037 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.18 -28.01 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.196 0.522 . . . . 50.0 109.946 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 34.5 m -68.51 -39.7 81.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.391 -0.596 . . . . 50.0 109.391 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -75.15 -29.18 60.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.857 -0.423 . . . . 25.0 109.857 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 55.2 ttm -59.91 -40.89 90.36 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.295 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.02 77.42 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.255 0.55 . . . . 25.0 111.131 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.73 -45.41 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.887 0.375 . . . . 25.0 111.134 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.86 -34.54 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.55 -0.296 . . . . 50.0 110.619 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -47.32 75.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.254 0.549 . . . . 50.0 109.929 176.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.58 91.27 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 122.067 -0.395 . . . . 25.0 110.258 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.82 72.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.027 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.8 -33.46 68.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.665 -0.647 . . . . 50.0 110.543 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.84 -42.4 98.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.041 -0.726 . . . . 50.0 109.041 176.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.01 -32.24 61.57 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.458 0.91 . . . . 50.0 113.458 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 40.9 mtm -63.54 -37.11 86.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 118.336 0.516 . . . . 50.0 110.384 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 57.8 m -56.18 -33.12 64.97 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.917 0.865 . . . . 25.0 110.608 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -70.97 -42.67 69.42 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.707 -0.621 . . . . 50.0 109.813 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -64.95 -39.97 94.3 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.4 t -59.66 -40.2 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.0 -1.0 . . . . 50.0 111.019 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 56.7 mt . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 112.324 0.49 . . . . 50.0 112.324 179.195 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 120.363 0.125 . . . . 25.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -35.19 79.9 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 120.727 -0.389 . . . . 50.0 110.394 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.28 -32.59 74.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.629 -0.669 . . . . 50.0 110.323 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.33 -44.17 91.2 Favored Glycine 0 C--O 1.22 -0.778 0 N-CA-C 107.935 -2.066 . . . . 50.0 107.935 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.59 -39.42 67.82 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 122.584 0.353 . . . . 25.0 111.589 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -66.72 -43.26 84.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.107 0.48 . . . . 50.0 111.59 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.2 79.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.256 0.551 . . . . 25.0 111.064 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.4 m -68.08 -27.94 39.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 116.441 -0.345 . . . . 50.0 110.485 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.89 -30.46 61.6 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.598 0.221 . . . . 25.0 111.598 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.93 92.84 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.3 66.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.772 0.32 . . . . 25.0 110.432 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.412 ' HA ' HG13 ' A' ' 476' ' ' VAL . 56.8 mm-40 -68.28 -45.47 72.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.957 0.408 . . . . 50.0 111.779 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -65.02 -26.81 68.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.089 -0.644 . . . . 50.0 109.469 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -51.05 23.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.98 -0.554 . . . . 50.0 110.514 177.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.412 HG13 ' HA ' ' A' ' 473' ' ' GLN . 10.7 p -63.4 -36.82 77.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.493 0.663 . . . . 50.0 109.327 -176.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -63.54 -35.8 81.68 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.98 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.67 -45.66 88.89 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.328 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -69.6 -35.47 66.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.642 -0.503 . . . . 50.0 109.642 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.4 -27.24 65.82 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.4 0.619 . . . . 25.0 109.426 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.39 -42.48 20.39 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-O 120.978 0.418 . . . . 50.0 110.496 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.4 mtm -59.35 -26.95 65.48 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 111.872 0.323 . . . . 50.0 111.872 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.6 p -77.46 -37.6 51.12 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.083 -1.047 . . . . 25.0 110.042 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -83.19 -24.18 32.55 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.104 -0.239 . . . . 50.0 111.584 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.448 -0.535 0 O-C-N 121.693 -0.63 . . . . 50.0 111.687 177.11 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--O 1.212 -0.878 0 N-CA-C 112.324 0.49 . . . . 50.0 112.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 27.7 t -71.88 -33.45 47.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.126 -1.065 . . . . 50.0 108.126 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -69.06 -36.73 78.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.551 -0.537 . . . . 50.0 109.551 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -68.12 -36.45 79.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.0 tpp -63.82 -40.1 95.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.198 0.523 . . . . 50.0 109.865 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.78 -32.19 73.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.793 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.15 -37.52 81.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.71 -45.98 86.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.307 -0.627 . . . . 50.0 109.307 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.96 -43.58 94.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.963 0.411 . . . . 50.0 110.132 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.53 91.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.243 -0.286 . . . . 25.0 110.722 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.57 97.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.698 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.7 -41.66 87.65 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.59 0.71 . . . . 50.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.86 -44.04 97.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.126 -0.488 . . . . 50.0 110.262 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -78.61 -31.74 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.875 1.806 . . . . 50.0 115.875 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 20.9 ptp -62.33 -31.8 72.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 119.226 0.921 . . . . 50.0 110.206 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 24.5 m -64.66 -31.35 72.54 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.922 -0.581 . . . . 25.0 109.883 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -69.46 -39.65 77.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.423 -0.798 . . . . 50.0 109.071 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -64.21 -44.44 91.9 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.898 -0.321 . . . . 50.0 111.51 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 21.8 m -67.86 -34.23 66.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.526 0.565 . . . . 50.0 112.526 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 112.528 0.566 . . . . 50.0 112.528 179.093 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.582 0.23 . . . . 25.0 111.125 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -33.58 76.14 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 122.219 -0.301 . . . . 50.0 111.151 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -59.29 -36.52 75.72 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.993 -0.683 . . . . 50.0 110.333 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.95 -45.52 50.67 Favored Glycine 0 C--O 1.218 -0.853 0 N-CA-C 108.885 -1.686 . . . . 50.0 108.885 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.1 67.04 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 111.927 0.343 . . . . 25.0 111.927 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -67.3 -43.77 80.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.056 0.455 . . . . 50.0 111.368 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.32 87.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.135 0.493 . . . . 25.0 110.275 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.21 -27.5 29.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 C-N-CA 120.907 -0.317 . . . . 50.0 110.84 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.94 68.44 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.225 0.466 . . . . 25.0 111.277 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.15 90.03 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.77 -35.93 67.55 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 120.621 0.248 . . . . 25.0 110.623 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.404 ' HA ' HG12 ' A' ' 476' ' ' VAL . 58.8 mm-40 -67.53 -46.42 72.88 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.166 0.432 . . . . 50.0 112.166 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -64.0 -27.69 69.3 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.244 -0.65 . . . . 50.0 109.244 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.43 -52.58 15.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.633 -0.712 . . . . 50.0 111.108 176.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.5 p -63.36 -36.43 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 118.684 0.675 . . . . 50.0 109.846 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -63.6 -34.96 78.99 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.067 -0.515 . . . . 25.0 110.298 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.34 97.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.216 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.62 -34.62 57.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.791 -0.448 . . . . 50.0 109.791 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.33 -27.05 63.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.373 0.606 . . . . 25.0 109.726 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.05 -41.32 22.81 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.25 0.548 . . . . 50.0 110.245 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.5 mtm -62.56 -28.18 69.69 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 116.369 -0.378 . . . . 50.0 111.475 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 37.9 p -76.8 -37.49 55.68 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 119.167 -1.013 . . . . 25.0 110.073 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -77.89 -28.49 49.89 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.423 -0.511 . . . . 50.0 110.01 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.331 -0.201 0 N-CA-C 108.82 -0.808 . . . . 50.0 108.82 175.039 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--O 1.211 -0.922 0 CA-C-O 121.099 0.476 . . . . 50.0 110.911 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.29 -33.41 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.052 0.453 . . . . 50.0 110.169 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.7 m -67.26 -39.23 86.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.853 -0.339 . . . . 50.0 110.305 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.4 -34.18 65.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.401 0.619 . . . . 25.0 109.654 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 45.9 ttm -58.83 -34.33 71.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 50.0 110.999 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.95 82.27 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.888 0.375 . . . . 25.0 110.205 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.89 -38.99 66.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.21 -45.83 97.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 109.672 -0.492 . . . . 50.0 109.672 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -62.4 -39.36 92.99 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.056 -0.403 . . . . 50.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.57 91.55 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.51 90.8 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.453 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.34 -43.91 92.7 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 122.235 1.017 . . . . 50.0 109.43 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 67.6 mt -61.25 -44.52 97.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.49 -1.232 . . . . 50.0 112.053 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -73.67 -32.14 63.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.778 0.717 . . . . 50.0 111.803 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 3.9 tpp -63.4 -37.8 88.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.632 -0.877 . . . . 50.0 108.632 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 54.9 m -60.45 -36.25 77.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -67.4 -44.25 79.29 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.265 -1.013 . . . . 50.0 108.265 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -62.31 -43.27 99.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.037 0.754 . . . . 50.0 113.037 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.23 -38.36 79.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.575 -0.45 . . . . 50.0 111.467 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 122.019 -0.426 . . . . 50.0 110.561 178.571 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 120.473 0.177 . . . . 25.0 110.608 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -37.19 84.33 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 120.794 -0.362 . . . . 50.0 110.843 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -59.97 -35.13 74.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.494 0.588 . . . . 50.0 110.422 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.46 -49.48 50.78 Favored Glycine 0 C--O 1.214 -1.113 0 N-CA-C 108.103 -1.999 . . . . 50.0 108.103 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.53 64.41 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -74.13 -43.48 57.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.017 0.437 . . . . 50.0 110.739 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.13 99.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.189 0.519 . . . . 25.0 109.958 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.8 m -70.07 -31.42 47.59 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.322 0 C-N-CA 120.37 -0.532 . . . . 50.0 109.982 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.9 76.44 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.876 0.762 . . . . 25.0 111.019 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.05 85.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -71.98 -31.7 66.51 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.693 -0.23 . . . . 25.0 111.148 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.409 ' HA ' HG11 ' A' ' 476' ' ' VAL . 55.6 mm-40 -71.52 -44.76 64.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.924 -0.485 . . . . 50.0 110.676 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -65.47 -28.5 69.25 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.845 -0.798 . . . . 50.0 108.845 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.79 -51.91 29.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.158 -0.474 . . . . 50.0 110.635 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 473' ' ' GLN . 12.1 p -62.99 -35.52 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.366 0.603 . . . . 50.0 109.51 -176.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -62.84 -37.06 85.31 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.795 -0.639 . . . . 25.0 110.433 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.88 87.91 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.187 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.09 -35.22 67.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.715 -0.476 . . . . 50.0 109.715 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.33 -27.52 64.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.11 -43.43 19.44 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 120.984 0.421 . . . . 50.0 110.786 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 40.4 mtm -59.77 -24.63 64.24 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 115.934 -0.575 . . . . 50.0 112.158 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.1 p -78.8 -23.8 44.94 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.268 -0.973 . . . . 25.0 109.978 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -89.84 -43.72 10.43 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.978 -0.556 . . . . 50.0 110.74 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 108.711 -0.848 . . . . 50.0 108.711 176.748 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 C--O 1.215 -0.752 0 N-CA-C 108.584 -0.895 . . . . 50.0 108.584 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.66 -35.87 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.172 0.511 . . . . 50.0 110.086 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 60.4 m -65.39 -40.78 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.038 -0.414 . . . . 50.0 110.026 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.52 -35.73 73.35 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 49.8 ttm -59.85 -40.6 89.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.924 0.392 . . . . 50.0 110.851 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.2 -33.41 75.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.214 0.53 . . . . 25.0 110.149 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.36 -36.74 71.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 87.8 t -64.54 -45.58 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 109.494 -0.558 . . . . 50.0 109.494 178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -57.87 -47.25 83.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.327 0.584 . . . . 50.0 110.206 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.39 96.21 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 122.128 -0.357 . . . . 25.0 110.571 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.39 79.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.124 -0.489 . . . . 25.0 112.031 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -68.99 -34.78 75.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.758 -0.777 . . . . 50.0 110.333 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.46 -44.67 93.81 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.796 -0.446 . . . . 50.0 109.796 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -73.88 -32.12 63.46 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.186 -1.006 . . . . 50.0 113.259 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 56.5 mtm -65.4 -33.81 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.507 0.594 . . . . 50.0 109.673 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.6 m -59.35 -36.66 76.13 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -67.35 -40.19 85.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.455 -0.778 . . . . 50.0 109.769 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -64.29 -44.13 92.64 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.607 -0.437 . . . . 50.0 111.786 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.97 -32.19 53.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.72 0.637 . . . . 50.0 112.72 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 111.699 0.259 . . . . 50.0 111.699 177.036 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -38.96 92.84 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 110.197 -0.297 . . . . 50.0 110.197 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -59.76 -34.9 73.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 119.175 0.898 . . . . 50.0 110.558 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.89 -49.41 42.11 Favored Glycine 0 C--O 1.215 -1.055 0 N-CA-C 109.441 -1.464 . . . . 50.0 109.441 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.21 -36.74 66.27 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -76.79 -36.95 56.63 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 113.514 0.931 . . . . 50.0 113.514 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.04 82.26 Favored 'General case' 0 C--N 1.311 -1.073 0 O-C-N 124.505 1.128 . . . . 25.0 110.298 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 24.2 m -69.09 -30.1 45.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.113 -0.494 . . . . 50.0 110.32 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.56 -34.2 64.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.196 0.453 . . . . 25.0 111.414 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.56 87.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.81 0.338 . . . . 25.0 110.221 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.66 -34.56 67.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.65 -0.25 . . . . 25.0 110.785 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG13 ' A' ' 476' ' ' VAL . 39.0 mm-40 -68.43 -45.77 71.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.008 0.432 . . . . 50.0 111.729 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -63.49 -26.58 68.78 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.074 -0.713 . . . . 50.0 109.074 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.76 -51.4 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.851 -0.613 . . . . 50.0 110.726 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 473' ' ' GLN . 11.3 p -63.5 -36.93 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 118.718 0.69 . . . . 50.0 109.492 -176.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -63.49 -35.2 79.67 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.848 -0.615 . . . . 25.0 110.091 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.22 92.7 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.519 -0.472 . . . . 25.0 110.183 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.04 -34.87 61.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 109.763 -0.458 . . . . 50.0 109.763 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.91 64.39 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.439 0.637 . . . . 25.0 109.67 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.35 -42.33 20.69 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.361 0.6 . . . . 50.0 110.383 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.3 mtm -61.13 -26.56 67.76 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.584 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.1 p -77.47 -37.13 52.0 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 119.323 -0.951 . . . . 25.0 110.325 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -79.17 -27.6 42.69 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.727 -0.389 . . . . 50.0 110.475 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 N--CA 1.445 -0.685 0 O-C-N 121.746 -0.596 . . . . 50.0 110.083 175.248 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 . . . . . 0 C--O 1.21 -1.003 0 N-CA-C 109.531 -0.544 . . . . 50.0 109.531 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.3 -32.25 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.27 0.557 . . . . 50.0 109.609 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 44.0 m -70.9 -38.7 73.0 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.724 -0.391 . . . . 50.0 110.516 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -72.65 -32.9 66.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.613 0.72 . . . . 25.0 109.613 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.6 mtp -60.44 -41.49 94.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.629 -0.714 . . . . 50.0 110.117 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.33 -32.99 74.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.981 0.419 . . . . 25.0 110.686 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.81 60.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.48 -0.327 . . . . 25.0 110.923 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.07 -35.51 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 121.01 -0.276 . . . . 50.0 110.459 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.13 -43.51 82.44 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.837 -0.431 . . . . 50.0 109.837 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.3 88.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.934 -0.306 . . . . 25.0 110.712 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.89 79.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.713 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.13 -44.15 89.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.194 0.521 . . . . 50.0 109.786 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.85 -40.75 96.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.029 -0.532 . . . . 50.0 111.504 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -73.77 -29.24 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.576 -0.85 . . . . 50.0 111.623 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 27.9 mtm -63.49 -37.57 87.79 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.088 -0.383 . . . . 50.0 110.769 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 4.3 m -57.93 -31.88 67.25 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.022 0.915 . . . . 25.0 110.761 176.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -72.01 -36.77 69.81 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.821 -0.549 . . . . 50.0 110.377 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -66.49 -41.62 88.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.266 -1.383 . . . . 50.0 107.266 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.92 -40.1 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.905 -1.043 . . . . 50.0 110.965 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 113.041 0.756 . . . . 50.0 113.041 178.485 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 110.163 -0.31 . . . . 25.0 110.163 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -32.04 73.53 Favored 'General case' 0 C--O 1.213 -0.85 0 O-C-N 121.996 -0.44 . . . . 50.0 110.335 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -61.58 -30.02 70.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.589 -0.694 . . . . 50.0 111.147 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.85 -42.8 37.05 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 107.652 -2.179 . . . . 50.0 107.652 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.6 68.82 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 120.889 0.376 . . . . 25.0 111.165 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.0 -43.11 83.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.038 0.447 . . . . 50.0 111.272 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.25 85.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.875 0.369 . . . . 25.0 110.14 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 14.1 m -68.84 -31.21 49.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 N-CA-C 109.779 -0.452 . . . . 50.0 109.779 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.91 67.61 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 118.279 0.491 . . . . 25.0 111.718 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.93 88.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.85 65.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.82 0.343 . . . . 25.0 110.441 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.405 ' HA ' HG12 ' A' ' 476' ' ' VAL . 37.6 mm-40 -68.97 -44.49 72.82 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.926 0.343 . . . . 50.0 111.926 -177.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 46.3 ptt85 -64.42 -28.75 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.834 -0.802 . . . . 50.0 108.834 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.71 -53.37 11.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.352 -0.84 . . . . 50.0 110.856 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -62.58 -36.73 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 118.599 0.636 . . . . 50.0 109.524 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -63.43 -36.53 84.03 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.175 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.98 91.03 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.506 -0.478 . . . . 25.0 110.198 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.13 -33.26 41.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.374 -0.53 . . . . 50.0 109.914 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.02 -29.53 67.33 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.3 -44.8 35.38 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 109.616 -0.513 . . . . 50.0 109.616 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 41.1 mtm -62.11 -31.37 71.82 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.362 0.601 . . . . 50.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 29.7 p -80.22 -31.33 38.64 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.408 -0.917 . . . . 25.0 110.006 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -79.95 -30.92 39.98 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 119.578 -0.849 . . . . 50.0 110.543 175.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 118.682 0.674 . . . . 50.0 109.633 177.456 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 C--O 1.208 -1.127 0 CA-C-O 121.039 0.447 . . . . 50.0 110.053 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 18.3 t -71.8 -36.04 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.633 -0.506 . . . . 50.0 109.633 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 57.6 m -65.6 -38.33 89.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.439 -0.346 . . . . 50.0 110.443 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.38 -36.21 68.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.359 0.599 . . . . 25.0 109.461 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 44.1 ttm -60.39 -38.27 83.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.073 -0.512 . . . . 50.0 110.139 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.46 74.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 25.0 110.685 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.14 70.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.89 -42.89 92.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.179 -0.674 . . . . 50.0 109.179 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -59.44 -42.93 93.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 50.0 110.205 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.46 94.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.407 -0.22 . . . . 25.0 110.407 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.11 97.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.681 -0.236 . . . . 25.0 110.948 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.1 -44.58 96.34 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.679 0.752 . . . . 50.0 109.511 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.77 -41.48 99.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.684 -0.689 . . . . 50.0 112.41 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -75.8 -32.17 59.75 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 119.631 -0.828 . . . . 50.0 111.627 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 59.0 mtm -65.32 -33.3 75.66 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.103 -0.373 . . . . 50.0 110.167 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.7 m -56.85 -38.21 72.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.335 0.588 . . . . 25.0 109.582 176.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -67.9 -36.2 79.8 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.421 -0.799 . . . . 50.0 110.575 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -66.46 -44.12 83.63 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.796 -0.362 . . . . 50.0 110.779 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 20.6 m -69.33 -31.59 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.771 0.656 . . . . 50.0 112.771 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--N 1.323 -0.567 0 N-CA-C 109.165 -0.68 . . . . 50.0 109.165 177.01 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -39.97 94.08 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.699 -0.401 . . . . 50.0 110.335 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -62.76 -34.43 77.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 118.749 0.704 . . . . 50.0 111.096 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.41 -47.93 67.02 Favored Glycine 0 C--O 1.22 -0.748 0 N-CA-C 108.29 -1.924 . . . . 50.0 108.29 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.26 -39.54 69.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.643 0.258 . . . . 25.0 111.299 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -65.46 -44.71 86.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.999 0.428 . . . . 50.0 110.853 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.91 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.06 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.6 m -70.36 -27.18 30.83 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 C-N-CA 120.444 -0.503 . . . . 50.0 110.695 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.77 70.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.503 0.592 . . . . 25.0 110.359 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.57 84.01 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.1 66.64 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 120.563 0.221 . . . . 25.0 111.028 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -68.91 -45.23 71.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.884 -0.51 . . . . 50.0 111.722 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.07 -26.7 68.67 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.3 tp -74.57 -51.16 15.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.62 -0.718 . . . . 50.0 111.375 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 11.3 p -63.26 -36.85 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 118.616 0.643 . . . . 50.0 109.495 -176.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -64.8 -34.69 78.95 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.707 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.7 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.773 -0.58 . . . . 25.0 110.088 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.64 -34.83 58.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.622 -0.51 . . . . 50.0 109.622 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.95 -26.56 64.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.349 0.595 . . . . 25.0 109.476 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -80.81 -42.21 22.05 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 109.669 -0.493 . . . . 50.0 109.669 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.6 mtm -60.94 -30.76 70.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.8 0.333 . . . . 50.0 111.458 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 32.8 p -75.33 -36.87 61.0 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.655 -0.818 . . . . 25.0 109.889 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -82.65 -26.46 32.13 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.479 -0.488 . . . . 50.0 111.355 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.222 -0.363 0 CA-C-N 118.901 0.773 . . . . 50.0 110.309 178.192 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 . . . . . 0 C--O 1.215 -0.727 0 CA-C-O 120.575 0.226 . . . . 50.0 111.421 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 48.9 t -74.24 -32.9 33.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.803 -0.814 . . . . 50.0 108.803 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.5 m -68.37 -38.44 81.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -70.02 -33.32 71.86 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.252 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 42.0 ttm -62.37 -37.14 84.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.732 0.301 . . . . 50.0 110.601 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.96 -34.05 77.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.44 -36.0 73.7 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.81 -44.33 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 109.603 -0.517 . . . . 50.0 109.603 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -60.78 -43.71 97.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.143 0.497 . . . . 50.0 109.8 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.22 91.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.746 -0.596 . . . . 25.0 110.55 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.73 79.57 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.787 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.66 -31.08 71.53 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.031 -0.668 . . . . 50.0 110.532 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.36 -45.64 83.33 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.727 -0.389 . . . . 50.0 110.057 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -73.7 -30.3 62.77 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.776 -0.77 . . . . 50.0 111.0 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 5.4 tpp -59.41 -44.48 92.82 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 56.6 m -60.16 -40.71 90.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.304 0.574 . . . . 25.0 111.081 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.33 -43.56 98.54 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.474 0.654 . . . . 50.0 109.923 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.48 -43.69 84.72 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.041 -0.981 . . . . 50.0 110.943 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.01 -37.18 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 124.29 1.036 . . . . 50.0 112.797 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 112.539 0.57 . . . . 50.0 112.539 -179.521 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.19 -0.3 . . . . 25.0 110.19 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -37.65 85.44 Favored 'General case' 0 C--O 1.214 -0.809 0 C-N-CA 120.489 -0.484 . . . . 50.0 110.569 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.54 -36.68 76.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.327 0.512 . . . . 50.0 110.059 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.56 -48.81 54.73 Favored Glycine 0 C--O 1.218 -0.898 0 N-CA-C 108.712 -1.755 . . . . 50.0 108.712 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.83 -37.84 64.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -71.21 -41.79 69.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.07 0.462 . . . . 50.0 110.952 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.03 81.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.167 0.508 . . . . 25.0 110.57 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.17 -26.55 32.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 116.547 -0.297 . . . . 50.0 110.523 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.64 -33.82 66.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.143 0.429 . . . . 25.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.33 90.56 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.802 -0.444 . . . . 25.0 109.802 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.79 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.65 -0.25 . . . . 25.0 110.719 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.429 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.8 mm-40 -70.79 -46.05 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.974 -0.454 . . . . 50.0 111.693 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.19 -27.66 69.51 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.17 -52.27 14.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.775 -0.648 . . . . 50.0 111.052 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.8 p -63.2 -36.23 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.754 0.706 . . . . 50.0 109.617 -176.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.79 -35.2 79.83 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.277 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.18 97.7 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.539 -0.464 . . . . 25.0 110.129 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.9 -34.26 55.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.745 -0.465 . . . . 50.0 109.745 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.93 63.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.407 0.623 . . . . 25.0 109.734 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.3 mt -80.35 -42.34 23.08 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 121.131 0.491 . . . . 50.0 109.931 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.2 mtm -62.44 -27.6 69.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.972 0.415 . . . . 50.0 111.685 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.4 p -77.37 -33.17 55.29 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.441 -0.903 . . . . 25.0 110.556 -175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.58 -35.33 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.48 -0.488 . . . . 50.0 110.181 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.22 -0.483 0 O-C-N 121.948 -0.47 . . . . 50.0 110.368 178.559 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 . . . . . 0 C--O 1.212 -0.883 0 CA-C-O 120.458 0.17 . . . . 50.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.52 -33.42 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.985 -0.447 . . . . 50.0 109.9 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 36.6 m -69.17 -36.9 77.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.819 -0.551 . . . . 50.0 110.882 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.22 -31.25 60.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 55.0 ttp -63.38 -42.49 98.85 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 108.795 -0.817 . . . . 50.0 108.795 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.2 -32.56 74.31 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.236 0.541 . . . . 25.0 110.726 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.78 -46.23 63.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.743 0.306 . . . . 25.0 111.166 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.95 -33.08 53.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 122.387 -0.195 . . . . 50.0 110.755 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -57.2 -45.68 83.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.267 -0.642 . . . . 50.0 109.267 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.35 85.28 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.815 -0.553 . . . . 25.0 110.486 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.81 79.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.081 -0.508 . . . . 25.0 111.823 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.7 -31.61 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.585 -0.697 . . . . 50.0 109.668 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.59 -43.64 98.3 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.641 -0.424 . . . . 50.0 109.858 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -73.7 -32.48 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.219 -0.992 . . . . 50.0 112.474 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 50.5 mtm -66.62 -33.97 76.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.228 0.467 . . . . 50.0 110.315 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.8 m -58.56 -36.68 74.28 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -65.84 -41.39 91.81 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.547 -0.72 . . . . 50.0 109.83 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -63.39 -44.94 93.25 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.726 -0.39 . . . . 50.0 111.555 -178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.2 m -70.29 -34.68 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.887 0.699 . . . . 50.0 112.887 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 73.4 mt . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 112.151 0.426 . . . . 50.0 112.151 177.846 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -37.27 85.84 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.869 -0.333 . . . . 50.0 110.593 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.91 -32.39 72.78 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.725 -0.609 . . . . 50.0 111.004 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.07 -47.04 76.48 Favored Glycine 0 C--O 1.22 -0.726 0 N-CA-C 107.968 -2.053 . . . . 50.0 107.968 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.37 -39.03 63.89 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.994 0.426 . . . . 25.0 112.137 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -67.44 -42.29 83.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.11 0.481 . . . . 50.0 111.893 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.18 72.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.191 0.52 . . . . 25.0 111.265 -177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 23.0 m -67.95 -26.7 35.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.136 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -51.25 -38.07 50.57 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.1 -36.75 85.03 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.955 0.407 . . . . 25.0 110.752 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -31.8 65.3 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.214 -0.304 . . . . 25.0 110.259 176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.442 ' HA ' HG13 ' A' ' 476' ' ' VAL . 60.8 mm-40 -71.23 -46.13 61.75 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 122.178 -0.326 . . . . 50.0 111.682 -177.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -61.32 -29.84 70.13 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.696 -0.853 . . . . 50.0 108.696 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -51.37 21.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.492 . . . . 50.0 110.497 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 473' ' ' GLN . 12.8 p -64.58 -35.62 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 108.95 -0.759 . . . . 50.0 108.95 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -63.59 -36.81 85.02 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.284 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.56 83.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.41 -34.5 66.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.88 -30.19 68.84 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.73 -42.8 27.28 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 120.811 0.339 . . . . 50.0 110.958 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 30.6 mtm -58.25 -24.95 61.02 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.168 0.509 . . . . 50.0 111.709 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 42.6 p -82.3 -20.17 37.96 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.439 -0.904 . . . . 25.0 110.994 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -89.29 -35.15 16.3 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.412 -0.958 . . . . 50.0 108.412 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.324 -0.542 0 N-CA-C 107.703 -1.221 . . . . 50.0 107.703 173.303 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.22 -0.478 0 N-CA-C 109.11 -0.7 . . . . 50.0 109.11 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.29 -34.51 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.191 -0.459 . . . . 50.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.9 m -66.48 -43.84 84.32 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.171 -0.33 . . . . 50.0 110.969 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -71.92 -34.24 68.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.03 0.443 . . . . 25.0 109.928 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttp -64.83 -39.14 93.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.263 -0.426 . . . . 50.0 110.115 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -69.74 -35.12 74.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.103 0.478 . . . . 25.0 110.307 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -66.51 -46.49 76.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.268 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.48 -36.79 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 121.002 -0.279 . . . . 50.0 110.473 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -58.1 -47.17 84.04 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.792 -0.447 . . . . 50.0 109.792 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.76 90.83 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.183 -0.323 . . . . 25.0 110.905 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.34 72.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.847 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.92 -31.17 67.72 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.75 -0.78 . . . . 50.0 110.412 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.8 -44.67 96.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.083 -0.247 . . . . 50.0 110.415 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -73.74 -37.83 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.558 -0.857 . . . . 50.0 111.596 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 60.3 mtm -61.26 -40.76 95.29 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 121.957 -0.465 . . . . 50.0 111.409 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 64.8 m -56.76 -35.65 68.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.254 0.549 . . . . 25.0 111.504 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -68.63 -47.57 66.28 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.74 -0.6 . . . . 50.0 109.876 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -39.34 94.31 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.607 -0.886 . . . . 50.0 108.607 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.37 -49.21 84.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.447 -0.797 . . . . 50.0 110.654 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--N 1.322 -0.6 0 O-C-N 122.044 -0.41 . . . . 50.0 111.303 -179.666 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -37.21 84.28 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 120.739 -0.384 . . . . 50.0 110.353 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -59.66 -34.76 73.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 118.854 0.752 . . . . 50.0 110.721 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.68 -48.62 54.99 Favored Glycine 0 C--O 1.216 -0.999 0 N-CA-C 108.343 -1.903 . . . . 50.0 108.343 176.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.78 -37.06 65.57 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -71.04 -43.38 67.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.176 0.513 . . . . 50.0 110.812 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.92 92.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 25.0 110.189 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.4 m -69.8 -31.45 48.38 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.171 0 C-N-CA 120.43 -0.508 . . . . 50.0 109.825 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.8 72.34 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.704 0.684 . . . . 25.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.54 84.62 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 177.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.73 67.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.52 0.2 . . . . 25.0 111.404 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.402 ' HA ' HG11 ' A' ' 476' ' ' VAL . 44.0 mm-40 -69.53 -44.56 70.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.183 0.516 . . . . 50.0 111.11 -178.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 49.7 ptt85 -65.83 -28.14 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -51.57 27.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.67 -0.695 . . . . 50.0 110.608 177.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.402 HG11 ' HA ' ' A' ' 473' ' ' GLN . 11.8 p -62.83 -35.96 73.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 118.555 0.616 . . . . 50.0 109.432 -176.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -62.87 -35.82 81.25 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.745 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.77 90.84 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.797 -0.361 . . . . 25.0 110.372 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -69.66 -35.3 65.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.677 -0.49 . . . . 50.0 109.677 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.97 63.75 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.32 -42.38 20.67 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.028 0.442 . . . . 50.0 111.146 175.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 40.7 mtm -59.36 -24.76 63.67 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 115.857 -0.611 . . . . 50.0 111.58 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 40.1 p -78.83 -27.38 44.28 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 119.549 -0.86 . . . . 25.0 110.174 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -81.68 -36.66 28.48 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.957 -0.757 . . . . 50.0 108.957 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 107.979 -1.119 . . . . 50.0 107.979 173.535 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 . . . . . 0 C--O 1.218 -0.574 0 N-CA-C 108.463 -0.94 . . . . 50.0 108.463 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.56 -32.65 50.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.773 -0.648 . . . . 50.0 110.284 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.2 m -66.48 -37.65 85.57 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.806 -0.559 . . . . 50.0 111.837 177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.19 -36.48 61.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.08 0.943 . . . . 25.0 108.832 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 19.0 ttp -66.31 -26.7 67.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.642 -0.708 . . . . 50.0 110.279 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.7 71.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.077 -0.39 . . . . 25.0 110.579 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.43 80.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.255 -1.017 . . . . 25.0 108.255 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.48 -45.42 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.092 -0.707 . . . . 50.0 109.092 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.78 -44.91 86.57 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.699 0.285 . . . . 50.0 110.335 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.2 91.92 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 121.036 -0.266 . . . . 25.0 110.554 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.23 82.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.87 -42.95 97.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 50.0 109.734 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.35 -41.32 98.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.986 -0.552 . . . . 50.0 111.803 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -74.64 -33.68 62.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.102 -1.039 . . . . 50.0 112.021 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 67.7 mtm -66.4 -33.03 74.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.42 0.555 . . . . 50.0 109.921 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.8 m -57.47 -35.7 70.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -67.22 -43.38 82.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.456 -0.777 . . . . 50.0 109.637 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -64.05 -41.65 97.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.345 0.498 . . . . 50.0 112.345 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 22.1 m -69.1 -31.38 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.536 -0.466 . . . . 50.0 111.942 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 175.529 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.62 -35.2 79.61 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.339 -0.544 . . . . 50.0 111.668 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.68 -26.22 68.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.592 -0.843 . . . . 50.0 110.997 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -76.19 -42.7 23.15 Favored Glycine 0 C--O 1.223 -0.581 0 N-CA-C 108.284 -1.926 . . . . 50.0 108.284 173.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.13 71.53 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.197 0.522 . . . . 25.0 111.731 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.6 -41.86 98.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.046 0.451 . . . . 50.0 110.911 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.73 65.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.348 -0.387 . . . . 25.0 111.162 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.1 m -68.93 -26.57 32.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.115 0 C-N-CA 120.732 -0.387 . . . . 50.0 110.909 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.01 64.49 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.295 0.498 . . . . 25.0 111.719 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.06 74.9 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.73 -38.02 67.57 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.45 ' HA ' HG13 ' A' ' 476' ' ' VAL . 13.3 mt-30 -69.63 -45.42 68.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.287 0.565 . . . . 50.0 112.245 -175.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -62.69 -26.1 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.606 -0.684 . . . . 50.0 109.637 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.28 -50.14 15.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.811 -0.631 . . . . 50.0 110.762 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 473' ' ' GLN . 9.2 p -63.8 -38.7 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.982 -0.748 . . . . 50.0 108.982 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -62.68 -34.22 76.68 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.283 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.56 99.72 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.688 -0.633 . . . . 25.0 110.019 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 476' ' ' VAL . 3.9 mt -71.92 -33.6 48.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 N-CA-C 109.563 -0.532 . . . . 50.0 109.563 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.55 -26.93 62.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.587 0.708 . . . . 25.0 109.841 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.7 mt -80.6 -41.92 23.15 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.477 0.656 . . . . 50.0 109.728 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.2 mtm -63.65 -26.63 68.76 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 116.259 -0.428 . . . . 50.0 111.771 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.2 p -75.5 -37.3 60.24 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.507 -0.877 . . . . 25.0 109.593 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -80.23 -34.89 36.87 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.565 -0.454 . . . . 50.0 110.852 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 N--CA 1.448 -0.537 0 O-C-N 121.875 -0.516 . . . . 50.0 109.916 178.145 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.22 -0.487 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 27.5 t -66.26 -35.9 76.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 109.983 -0.377 . . . . 50.0 109.983 178.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 46.0 m -67.37 -40.45 85.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 50.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -71.58 -33.68 69.26 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 37.0 ttp -66.12 -38.52 88.39 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.532 -0.544 . . . . 50.0 109.532 178.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.71 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.012 0.434 . . . . 25.0 110.642 177.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.77 -45.99 66.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.835 0.35 . . . . 25.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.3 p -71.16 -31.25 43.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-O 120.621 0.248 . . . . 50.0 110.861 -178.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -53.27 -43.18 67.23 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 120.765 0.317 . . . . 50.0 110.691 176.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.1 87.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.044 0.45 . . . . 25.0 110.698 -179.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -71.53 -41.73 68.8 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.318 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.14 -41.07 97.91 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.735 0.779 . . . . 50.0 109.671 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.04 -45.59 92.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.482 -0.781 . . . . 50.0 111.587 178.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -73.71 -32.15 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.848 -0.741 . . . . 50.0 111.381 178.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.5 tpp -60.34 -41.18 93.08 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.753 -0.832 . . . . 50.0 108.753 176.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 47.9 m -61.22 -37.43 82.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.369 -0.378 . . . . 25.0 110.297 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -67.61 -43.04 81.38 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.381 -0.97 . . . . 50.0 108.381 177.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -61.35 -45.4 94.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.845 0.683 . . . . 50.0 112.845 -178.001 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.5 -35.3 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.178 0.436 . . . . 50.0 112.178 -178.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 77.5 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.596 0.236 . . . . 50.0 110.366 178.142 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -35.11 78.32 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 119.451 -0.309 . . . . 50.0 111.453 -178.024 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.97 -27.61 68.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.246 -0.982 . . . . 50.0 110.739 178.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.77 -45.79 50.14 Favored Glycine 0 C--O 1.218 -0.881 0 N-CA-C 107.167 -2.373 . . . . 50.0 107.167 174.182 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.27 68.98 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.761 0.315 . . . . 25.0 111.408 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -66.75 -42.67 85.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.004 0.431 . . . . 50.0 111.501 178.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.68 82.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.121 0.486 . . . . 25.0 110.301 -178.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.64 -26.5 28.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.464 -0.335 . . . . 50.0 110.632 -179.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.1 64.82 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 117.924 0.329 . . . . 25.0 111.758 -178.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.39 94.35 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 177.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -33.55 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.711 0.291 . . . . 25.0 110.623 177.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.414 ' HA ' HG11 ' A' ' 476' ' ' VAL . 82.0 mm-40 -70.11 -45.83 66.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.04 0.447 . . . . 50.0 111.573 -179.051 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -64.29 -27.03 68.75 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.12 -0.632 . . . . 50.0 109.436 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.62 -51.44 23.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.969 -0.56 . . . . 50.0 110.342 177.291 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.414 HG11 ' HA ' ' A' ' 473' ' ' GLN . 14.1 p -63.69 -36.55 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 109.08 -0.711 . . . . 50.0 109.08 -177.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -64.25 -35.02 79.47 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.002 -0.544 . . . . 25.0 110.333 177.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.16 92.78 Favored 'General case' 0 C--O 1.223 -0.34 0 O-C-N 121.923 -0.486 . . . . 25.0 110.351 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -71.58 -32.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.428 -0.582 . . . . 50.0 109.428 -179.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.54 -27.49 67.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.2 mt -79.15 -44.15 22.54 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 109.533 -0.543 . . . . 50.0 109.533 177.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 43.8 mtm -60.48 -29.49 69.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.12 0.486 . . . . 50.0 111.53 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 21.5 p -80.5 -32.64 36.9 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.918 -0.713 . . . . 25.0 110.647 -176.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -81.37 -29.44 34.02 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 119.877 -0.729 . . . . 50.0 110.109 175.13 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--O 1.222 -0.382 0 O-C-N 121.704 -0.623 . . . . 50.0 109.772 178.186 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 C--O 1.217 -0.609 0 N-CA-C 108.669 -0.863 . . . . 50.0 108.669 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.12 -35.04 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.123 -0.49 . . . . 50.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 12.0 t -69.06 -40.45 78.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.867 0.365 . . . . 50.0 110.2 178.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -67.23 -35.27 79.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.32 -0.993 . . . . 25.0 108.32 178.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -36.8 84.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.21 -0.45 . . . . 50.0 110.577 179.01 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.56 -30.22 69.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.792 -0.448 . . . . 25.0 109.792 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.64 80.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 177.473 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 64.7 t -66.16 -45.29 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.874 -0.787 . . . . 50.0 108.874 177.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -58.79 -42.42 89.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 50.0 110.161 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.69 90.8 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.25 -0.281 . . . . 25.0 111.441 178.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.6 92.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.59 -45.76 92.79 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.966 -0.753 . . . . 50.0 108.966 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.74 -44.38 93.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.731 -0.668 . . . . 50.0 112.38 -179.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.81 -35.22 64.85 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.532 -0.867 . . . . 50.0 111.871 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.28 -39.55 92.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.413 0.551 . . . . 50.0 110.186 178.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 95.0 m -53.14 -32.94 50.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.297 0.57 . . . . 25.0 111.294 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -62.03 -48.72 79.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.027 0.442 . . . . 50.0 111.032 -178.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -72.49 -40.18 67.09 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.566 -0.531 . . . . 50.0 109.566 179.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -57.16 -44.53 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.249 -0.887 . . . . 50.0 112.969 -178.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 55.1 mt . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 112.421 0.526 . . . . 50.0 112.421 -178.36 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.335 0.112 . . . . 25.0 111.111 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.2 -36.97 82.84 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.399 -0.52 . . . . 50.0 111.406 -178.331 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.55 -28.23 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.621 -0.674 . . . . 50.0 109.335 178.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.86 -46.24 68.55 Favored Glycine 0 C--O 1.216 -1.014 0 N-CA-C 107.729 -2.148 . . . . 50.0 107.729 175.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.18 -36.72 66.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 117.02 0.41 . . . . 25.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -71.98 -41.51 67.57 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 113.284 0.846 . . . . 50.0 113.284 179.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.05 81.54 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.349 -0.841 . . . . 25.0 111.241 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.1 m -67.71 -26.59 35.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 116.224 -0.443 . . . . 50.0 110.532 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.82 -32.29 65.58 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.156 0.434 . . . . 25.0 110.961 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.82 -38.27 88.49 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 177.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.76 66.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.622 -0.263 . . . . 25.0 110.536 177.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.0 mm-40 -69.56 -46.45 66.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.072 -0.392 . . . . 50.0 111.664 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -63.6 -27.52 69.3 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.062 -0.718 . . . . 50.0 109.062 178.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.57 -52.5 15.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.64 . . . . 50.0 110.756 177.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -63.35 -36.0 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 118.675 0.671 . . . . 50.0 109.556 -176.057 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -63.29 -35.34 80.02 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.009 -0.542 . . . . 25.0 110.344 178.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.4 96.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.116 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -70.7 -34.73 57.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 109.662 -0.495 . . . . 50.0 109.662 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.05 -26.97 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.261 0.553 . . . . 25.0 109.904 178.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.6 mt -80.05 -43.51 21.73 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.681 -0.489 . . . . 50.0 109.681 176.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.8 mtm -61.2 -28.57 69.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.088 0.471 . . . . 50.0 111.571 -179.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.6 p -77.25 -15.23 59.55 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.12 -0.632 . . . . 25.0 111.904 -175.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -107.03 -36.82 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.097 0.248 . . . . 50.0 110.907 174.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.328 -0.349 0 O-C-N 122.025 -0.422 . . . . 50.0 110.875 179.437 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 . . . . . 0 C--O 1.209 -1.048 0 N-CA-C 109.619 -0.512 . . . . 50.0 109.619 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.94 -33.88 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.062 0.458 . . . . 50.0 110.28 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 46.7 m -67.17 -39.72 86.49 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.301 -0.629 . . . . 50.0 109.301 178.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -74.88 -29.68 61.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.202 178.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.3 ttm -60.55 -38.79 85.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 50.0 109.902 178.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.15 72.23 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.024 0.44 . . . . 25.0 110.673 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.05 68.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.212 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.81 -43.3 86.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.899 -0.778 . . . . 50.0 108.899 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -58.77 -43.99 90.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.242 0.544 . . . . 50.0 109.688 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.52 94.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.824 -0.548 . . . . 25.0 110.506 178.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.25 87.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.268 -0.423 . . . . 25.0 111.874 -178.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.76 -33.3 73.67 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.724 -0.79 . . . . 50.0 110.27 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.99 -37.63 86.44 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 122.031 -0.418 . . . . 50.0 111.062 178.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.67 -32.16 53.01 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 119.535 -0.866 . . . . 50.0 111.38 175.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 57.3 mtm -65.19 -31.48 72.68 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.455 -0.778 . . . . 50.0 110.227 177.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 86.2 m -55.42 -29.48 58.66 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.667 0.746 . . . . 25.0 110.329 177.01 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -69.24 -42.6 75.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.466 -0.771 . . . . 50.0 109.747 -179.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.24 -34.83 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.73 -0.47 . . . . 50.0 109.73 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.03 -40.25 80.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 50.0 109.844 177.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 112.983 0.735 . . . . 50.0 112.983 178.85 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.162 -0.31 . . . . 25.0 110.162 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -38.89 86.61 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 119.218 -0.42 . . . . 50.0 110.94 -179.455 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -56.34 -40.24 74.13 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.125 0.875 . . . . 50.0 110.785 177.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.14 -49.74 38.3 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 109.594 -1.403 . . . . 50.0 109.594 177.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.02 -37.11 66.22 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -179.03 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -72.22 -42.94 65.16 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.997 -0.44 . . . . 50.0 110.31 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.42 91.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 25.0 110.022 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -70.67 -30.5 42.52 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.195 0 C-N-CA 120.365 -0.534 . . . . 50.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.88 -35.89 71.63 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.885 0.766 . . . . 25.0 110.927 -179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.43 87.5 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 177.554 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.82 67.26 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.726 -0.215 . . . . 25.0 111.158 177.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.413 ' HA ' HG13 ' A' ' 476' ' ' VAL . 65.3 mm-40 -69.26 -45.66 69.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.723 -0.611 . . . . 50.0 112.334 -179.067 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.52 -27.2 68.99 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.964 -0.754 . . . . 50.0 108.964 178.519 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.6 tp -76.33 -51.8 11.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.545 -0.752 . . . . 50.0 111.681 177.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.413 HG13 ' HA ' ' A' ' 473' ' ' GLN . 11.5 p -63.05 -36.93 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 118.587 0.63 . . . . 50.0 110.016 -175.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -64.73 -34.16 77.68 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.437 178.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.43 98.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.508 -0.477 . . . . 25.0 109.723 179.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.11 -35.8 65.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 109.643 -0.503 . . . . 50.0 109.643 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.36 -27.0 61.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.443 0.64 . . . . 25.0 109.66 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.9 -42.41 21.46 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.112 0.482 . . . . 50.0 109.871 177.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.1 mtm -60.78 -30.52 70.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.873 0.368 . . . . 50.0 110.785 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 30.6 p -78.11 -13.88 59.7 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.512 -0.475 . . . . 25.0 112.173 -176.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -107.33 -26.87 10.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.742 0.275 . . . . 50.0 111.742 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 N--CA 1.448 -0.548 0 CA-C-N 118.41 0.55 . . . . 50.0 110.206 175.182 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--O 1.206 -1.231 0 N-CA-C 110.15 -0.315 . . . . 50.0 110.15 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.84 -32.7 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 120.961 0.41 . . . . 50.0 110.254 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -66.24 -40.57 90.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.389 -0.597 . . . . 50.0 109.389 178.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -74.64 -31.29 61.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.473 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 23.8 ttm -61.62 -36.05 79.64 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.304 0.573 . . . . 50.0 110.866 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.06 75.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.637 179.357 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.1 69.81 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 178.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.56 -47.67 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.37 -0.604 . . . . 50.0 109.37 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.72 -46.04 91.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.852 0.358 . . . . 50.0 110.693 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.82 92.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.992 -0.442 . . . . 25.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.65 72.0 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 116.06 -0.518 . . . . 25.0 111.728 -178.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -69.85 -31.73 69.74 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.864 -0.734 . . . . 50.0 111.036 -177.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.43 -42.99 98.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.591 -0.522 . . . . 50.0 109.591 177.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -75.31 -32.4 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.114 -1.034 . . . . 50.0 112.405 176.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.8 tpp -59.81 -33.67 72.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.468 -0.568 . . . . 50.0 109.468 176.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 57.3 m -58.29 -33.87 69.93 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.102 0.477 . . . . 25.0 110.705 178.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -69.63 -47.95 61.65 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.117 -1.068 . . . . 50.0 108.117 178.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.803 1.038 . . . . 50.0 113.803 -177.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.45 -33.08 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 112.196 0.443 . . . . 50.0 112.196 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 116.363 -0.381 . . . . 50.0 111.946 178.351 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 110.484 -0.191 . . . . 25.0 110.484 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -35.38 80.43 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.588 -0.523 . . . . 50.0 109.588 179.379 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.18 -35.83 76.24 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.407 0.623 . . . . 50.0 109.991 176.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.91 -46.26 68.07 Favored Glycine 0 C--O 1.219 -0.803 0 N-CA-C 108.908 -1.677 . . . . 50.0 108.908 177.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.83 -39.6 65.72 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.617 0.367 . . . . 25.0 111.758 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -65.36 -44.73 86.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.237 0.542 . . . . 50.0 111.282 179.02 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.81 -44.2 74.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 25.0 111.534 -177.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.8 m -68.29 -26.64 34.4 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 116.582 -0.281 . . . . 50.0 110.757 -178.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -54.65 -34.02 61.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.71 0.232 . . . . 25.0 111.588 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.0 89.03 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.918 0.389 . . . . 25.0 110.417 177.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -37.05 67.81 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 177.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.413 ' HA ' HG13 ' A' ' 476' ' ' VAL . 53.9 mm-40 -65.7 -46.55 78.56 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.595 0.591 . . . . 50.0 112.595 -178.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -62.5 -27.77 69.37 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.497 -0.557 . . . . 50.0 109.497 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -52.58 10.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.854 -0.612 . . . . 50.0 110.915 177.397 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.413 HG13 ' HA ' ' A' ' 473' ' ' GLN . 14.6 p -63.64 -36.35 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 118.785 0.72 . . . . 50.0 109.875 -174.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -62.69 -36.17 82.06 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.09 178.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.88 91.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.344 -178.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.03 -33.82 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.173 -0.611 . . . . 50.0 109.98 -178.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.67 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.439 0.638 . . . . 25.0 109.44 179.387 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.49 -42.84 42.07 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 121.391 0.615 . . . . 50.0 110.124 178.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.2 mtm -63.76 -27.21 69.04 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 120.688 -0.405 . . . . 50.0 111.97 -179.376 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.5 p -83.17 -34.6 25.94 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.903 -0.719 . . . . 25.0 109.745 -176.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -79.58 -26.05 41.41 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.036 -0.666 . . . . 50.0 110.712 177.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.448 -0.525 0 O-C-N 121.71 -0.619 . . . . 50.0 111.476 176.838 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 C--O 1.211 -0.95 0 N-CA-C 108.7 -0.852 . . . . 50.0 108.7 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.84 -34.8 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-O 120.843 0.354 . . . . 50.0 110.525 178.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 42.5 m -66.64 -39.87 88.45 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.542 -0.463 . . . . 50.0 109.795 179.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -75.81 -27.5 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.947 0.404 . . . . 25.0 110.539 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 40.5 ttm -58.6 -33.01 69.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.208 0.603 . . . . 50.0 111.364 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.48 77.48 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.22 0.533 . . . . 25.0 110.597 178.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.94 -34.81 59.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 178.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.98 -47.03 92.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 N-CA-C 108.763 -0.829 . . . . 50.0 108.763 178.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.8 -43.24 90.5 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.932 -0.307 . . . . 50.0 110.499 179.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.07 95.76 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.957 -0.297 . . . . 25.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.68 73.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.316 -0.402 . . . . 25.0 111.049 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.18 -44.62 96.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.563 0.697 . . . . 50.0 109.488 -179.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.0 -42.8 95.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.671 -0.695 . . . . 50.0 111.511 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.81 -34.8 64.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.167 -1.013 . . . . 50.0 112.37 178.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 73.1 mtm -64.28 -37.3 87.0 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 178.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 40.2 m -59.87 -39.19 84.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.003 0.43 . . . . 25.0 110.471 177.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -64.71 -47.63 77.6 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.513 -0.921 . . . . 50.0 108.513 178.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.42 -43.8 92.98 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.7 -1.136 . . . . 50.0 113.403 -178.019 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.3 m -69.99 -35.05 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 112.493 0.553 . . . . 50.0 112.493 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.855 0.359 . . . . 50.0 111.526 177.951 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 110.219 -0.289 . . . . 25.0 110.219 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -35.48 80.67 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 120.795 -0.362 . . . . 50.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -56.89 -37.13 70.97 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.764 0.711 . . . . 50.0 110.128 175.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.84 -47.91 52.16 Favored Glycine 0 C--O 1.218 -0.851 0 N-CA-C 109.392 -1.483 . . . . 50.0 109.392 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.41 -39.26 64.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.49 -42.71 82.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.189 0.519 . . . . 50.0 111.131 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.66 -44.3 74.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 25.0 110.963 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 20.9 m -68.81 -26.52 32.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-N 116.614 -0.266 . . . . 50.0 110.774 -178.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.46 65.25 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 117.836 0.289 . . . . 25.0 111.047 179.405 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.29 78.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.618 0.247 . . . . 25.0 110.593 178.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -76.85 -36.57 56.71 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 120.56 0.219 . . . . 25.0 110.613 175.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.416 ' HA ' HG11 ' A' ' 476' ' ' VAL . 52.5 mm-40 -66.35 -46.08 78.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.495 0.554 . . . . 50.0 112.495 -178.143 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -61.19 -28.71 69.33 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.133 -0.691 . . . . 50.0 109.133 178.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -50.68 13.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.431 -0.804 . . . . 50.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 473' ' ' GLN . 14.7 p -63.43 -35.57 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 109.282 -0.636 . . . . 50.0 109.282 -176.562 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.84 -36.17 82.36 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.022 -0.536 . . . . 25.0 110.474 178.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.53 98.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.317 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -72.75 -31.78 38.07 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 N-CA-C 109.67 -0.493 . . . . 50.0 109.67 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.53 65.98 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.288 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.6 mt -77.38 -45.28 26.48 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 109.448 -0.575 . . . . 50.0 109.448 177.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.5 mtm -62.12 -28.81 69.89 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.121 0.486 . . . . 50.0 111.393 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 28.2 p -85.87 -17.79 34.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.28 -0.568 . . . . 25.0 111.664 -176.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -93.38 -23.58 18.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.586 -0.524 . . . . 50.0 109.586 173.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 108.721 -0.844 . . . . 50.0 108.721 173.587 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.215 -0.748 0 N-CA-C 108.916 -0.772 . . . . 50.0 108.916 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.35 -31.04 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.654 -0.703 . . . . 50.0 110.653 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -67.19 -40.74 86.57 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.883 -0.511 . . . . 50.0 110.533 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -75.77 -30.69 59.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.465 0.65 . . . . 25.0 109.744 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 45.6 ttp -63.32 -41.48 98.91 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.719 -0.845 . . . . 50.0 108.719 177.334 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.51 72.49 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.048 0.451 . . . . 25.0 110.769 177.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.49 68.22 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.131 -0.356 . . . . 25.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.22 -32.62 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 122.339 -0.226 . . . . 50.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.46 -46.32 86.83 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.993 -0.743 . . . . 50.0 108.993 174.414 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.87 85.23 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.86 -0.525 . . . . 25.0 110.166 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.87 -46.45 78.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.588 -179.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.8 -31.13 70.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.544 -0.723 . . . . 50.0 110.661 -178.558 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 38.7 mt -62.67 -42.04 99.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.128 -0.357 . . . . 50.0 110.086 177.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -74.99 -32.22 61.61 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.462 -0.895 . . . . 50.0 111.545 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 7.2 tpp -62.79 -33.41 75.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.817 0.342 . . . . 50.0 110.596 178.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.3 m -57.84 -36.55 72.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.471 0.653 . . . . 25.0 109.898 177.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -66.61 -41.0 89.08 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.776 -0.824 . . . . 50.0 108.776 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.87 -44.85 91.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.428 -0.806 . . . . 50.0 111.535 -178.326 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.0 m -68.38 -33.25 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 112.4 0.519 . . . . 50.0 112.4 -177.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 C--N 1.322 -0.619 0 N-CA-C 109.249 -0.649 . . . . 50.0 109.249 177.253 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.355 0 CA-C-O 121.182 0.515 . . . . 25.0 110.223 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 -31.99 72.4 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 112.26 0.467 . . . . 50.0 112.26 -176.742 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -67.09 -28.24 68.01 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.786 -0.766 . . . . 50.0 110.502 177.671 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -74.02 -38.15 48.58 Favored Glycine 0 C--O 1.225 -0.466 0 N-CA-C 107.739 -2.144 . . . . 50.0 107.739 174.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.42 -32.89 63.06 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 120.808 0.337 . . . . 25.0 111.344 178.672 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -72.59 -39.31 67.46 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.027 -0.42 . . . . 50.0 111.707 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.78 75.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.34 0.591 . . . . 25.0 109.459 -179.04 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.14 -26.58 32.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 CA-C-N 116.271 -0.422 . . . . 50.0 110.364 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.71 -28.87 64.24 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.178 -0.326 . . . . 25.0 111.778 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.86 92.56 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.638 -0.504 . . . . 25.0 109.638 177.228 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -37.64 67.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.837 0.351 . . . . 25.0 110.078 176.495 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.42 ' HA ' HG11 ' A' ' 476' ' ' VAL . 63.6 mm-40 -65.87 -46.41 78.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.748 0.647 . . . . 50.0 112.748 -179.062 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.88 -28.08 69.79 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 178.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.4 -52.07 15.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.8 -0.637 . . . . 50.0 110.698 177.318 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 473' ' ' GLN . 13.7 p -63.18 -35.78 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 118.804 0.729 . . . . 50.0 109.482 -175.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -62.25 -36.28 81.56 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.303 178.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.38 -43.86 92.85 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.291 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.66 -34.77 53.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 N-CA-C 109.874 -0.417 . . . . 50.0 109.874 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.53 -26.95 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.438 0.637 . . . . 25.0 110.018 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.63 -41.99 36.47 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.316 -0.624 . . . . 50.0 109.316 177.054 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.3 mtm -63.06 -28.2 69.92 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.393 -0.367 . . . . 50.0 111.426 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.2 p -78.41 -34.17 48.19 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.262 -0.975 . . . . 25.0 110.208 -176.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -81.49 -31.65 32.8 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.536 -0.466 . . . . 50.0 111.082 176.536 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 109.227 -0.657 . . . . 50.0 109.227 177.652 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--O 1.21 -0.998 0 N-CA-C 108.911 -0.774 . . . . 50.0 108.911 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.58 -37.91 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 122.229 -0.294 . . . . 50.0 110.835 176.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.2 m -64.16 -37.5 87.7 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.689 -0.632 . . . . 50.0 110.899 178.467 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -75.82 -31.87 59.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.471 0.653 . . . . 25.0 109.895 179.056 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 37.3 ttm -60.11 -44.79 94.59 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.539 -0.755 . . . . 50.0 109.344 179.009 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.7 78.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.173 0.511 . . . . 25.0 110.924 -178.807 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.4 -46.99 58.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.865 -178.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.39 -34.73 59.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 C-N-CA 120.989 -0.284 . . . . 50.0 111.012 -178.083 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -57.55 -46.0 84.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.81 -0.441 . . . . 50.0 109.81 177.15 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.58 96.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.683 0.278 . . . . 25.0 110.681 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.63 86.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.251 -179.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.96 -41.76 99.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.419 0.628 . . . . 50.0 109.323 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 40.0 mt -62.4 -43.64 98.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.809 -0.632 . . . . 50.0 112.195 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -73.75 -32.19 63.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.656 -0.818 . . . . 50.0 111.329 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -61.13 -42.09 97.91 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.461 -0.941 . . . . 50.0 108.461 175.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 62.6 m -59.42 -33.18 70.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.87 -0.604 . . . . 25.0 110.543 179.098 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -65.7 -44.4 86.25 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.447 -0.783 . . . . 50.0 109.966 179.39 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -64.29 -44.35 91.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.642 -0.873 . . . . 50.0 108.642 -179.413 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.19 -41.5 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 124.281 1.032 . . . . 50.0 113.585 179.449 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 113.039 0.755 . . . . 50.0 113.039 -177.841 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -35.74 81.8 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 122.197 -0.314 . . . . 50.0 111.843 -178.006 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -64.76 -27.11 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.281 -0.887 . . . . 50.0 110.07 178.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -75.15 -44.03 24.34 Favored Glycine 0 C--O 1.222 -0.63 0 N-CA-C 107.851 -2.1 . . . . 50.0 107.851 174.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.93 69.15 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 120.966 0.412 . . . . 25.0 111.196 179.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -63.02 -44.97 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.21 0.529 . . . . 50.0 111.242 178.677 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.04 73.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.102 0.477 . . . . 25.0 110.975 -177.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.12 -26.58 29.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.918 0 C-N-CA 120.68 -0.408 . . . . 50.0 110.544 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.61 66.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 118.451 0.568 . . . . 25.0 111.078 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.12 -36.5 82.03 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.029 0.443 . . . . 25.0 109.925 177.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -33.62 66.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.553 -0.294 . . . . 25.0 110.857 177.097 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.432 ' HA ' HG11 ' A' ' 476' ' ' VAL . 35.1 mm-40 -72.17 -46.11 57.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.16 0.505 . . . . 50.0 111.919 -176.041 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -62.01 -28.03 69.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.609 -0.886 . . . . 50.0 108.609 178.29 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.1 -53.16 9.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.797 -0.638 . . . . 50.0 111.33 177.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.432 HG11 ' HA ' ' A' ' 473' ' ' GLN . 12.7 p -63.21 -35.31 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 121.599 -0.688 . . . . 50.0 109.909 -175.639 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -63.68 -36.76 84.92 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.242 178.287 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.68 89.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 25.0 110.054 -179.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -71.2 -35.37 58.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 C-N-CA 120.656 -0.417 . . . . 50.0 109.876 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.97 65.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.138 0.494 . . . . 25.0 109.858 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.76 -44.04 28.89 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 109.094 -0.706 . . . . 50.0 109.094 177.332 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -60.67 -29.66 69.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.924 0.392 . . . . 50.0 111.28 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.7 p -77.35 -13.83 59.85 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.241 -0.584 . . . . 25.0 112.337 -175.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -108.7 -34.08 6.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.632 -0.258 . . . . 50.0 110.651 175.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.328 -0.334 0 O-C-N 122.015 -0.428 . . . . 50.0 110.394 178.427 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 . . . . . 0 C--O 1.21 -0.986 0 N-CA-C 111.827 0.306 . . . . 50.0 111.827 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.53 -33.1 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.963 -0.461 . . . . 50.0 110.713 175.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 19.5 m -70.27 -38.85 75.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.645 -0.659 . . . . 50.0 110.388 179.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -75.14 -30.89 60.92 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.498 0.666 . . . . 25.0 109.384 -179.146 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 4.1 mtp -62.92 -44.36 96.3 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.432 -0.804 . . . . 50.0 109.056 177.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.96 -33.31 75.44 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.344 -178.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.47 -45.38 65.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.489 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.63 -32.22 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.99 -0.444 . . . . 50.0 110.743 -178.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -58.5 -43.45 89.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.685 -0.857 . . . . 50.0 108.685 174.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.97 -37.39 84.16 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.565 -0.288 . . . . 25.0 110.686 178.297 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.14 95.25 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.695 0.284 . . . . 25.0 110.955 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -60.7 -45.79 92.85 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.036 0.922 . . . . 50.0 109.009 178.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.75 -43.76 98.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.13 -0.941 . . . . 50.0 112.196 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.7 -33.15 64.27 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.482 -0.887 . . . . 50.0 112.16 -179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 65.9 mtm -62.2 -39.66 93.5 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 176.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 59.1 m -55.59 -28.72 56.72 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.203 0.525 . . . . 25.0 111.028 178.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -69.17 -43.44 74.25 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.472 -0.767 . . . . 50.0 110.828 -178.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -72.35 -40.62 67.2 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.15 -1.056 . . . . 50.0 108.15 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 3.3 t -55.59 -42.15 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.635 -0.711 . . . . 50.0 112.444 -178.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 113.627 0.973 . . . . 50.0 113.627 -179.256 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.184 -0.302 . . . . 25.0 110.184 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -38.13 86.16 Favored 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 120.6 -0.44 . . . . 50.0 110.026 179.455 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.86 -35.29 77.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.701 -0.624 . . . . 50.0 110.358 177.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.44 -46.0 73.79 Favored Glycine 0 C--O 1.217 -0.962 0 N-CA-C 108.635 -1.786 . . . . 50.0 108.635 176.272 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.84 69.67 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.806 0.303 . . . . 25.0 111.537 179.409 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -67.9 -43.36 79.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.181 0.515 . . . . 50.0 110.88 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.69 -44.68 85.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 25.0 110.498 -178.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.75 -26.84 28.87 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.064 0 C-N-CA 120.688 -0.405 . . . . 50.0 110.384 -179.523 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.22 -33.84 69.76 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.501 0.591 . . . . 25.0 110.955 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.78 88.8 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 177.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.81 -35.41 67.32 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.666 -0.243 . . . . 25.0 110.523 176.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.409 ' HA ' HG12 ' A' ' 476' ' ' VAL . 59.0 mm-40 -67.46 -46.58 72.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.961 -0.462 . . . . 50.0 112.166 -179.121 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -62.91 -27.0 69.07 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.213 -0.662 . . . . 50.0 109.213 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -75.72 -52.92 9.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.536 -0.756 . . . . 50.0 111.087 177.743 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.4 p -63.73 -36.73 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 118.473 0.579 . . . . 50.0 109.876 -175.491 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -64.19 -34.33 77.83 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.212 178.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.9 97.75 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.352 -0.539 . . . . 25.0 109.945 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.08 -34.96 56.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 N-CA-C 109.822 -0.436 . . . . 50.0 109.822 -179.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.34 -26.94 61.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.226 0.536 . . . . 25.0 109.714 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.38 -42.72 20.05 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.124 0.488 . . . . 50.0 109.772 177.585 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 49.1 mtm -61.15 -28.9 69.45 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.171 -0.331 . . . . 50.0 111.505 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.9 p -79.74 -15.01 58.31 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.241 -0.583 . . . . 25.0 112.061 -176.078 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -105.5 -33.41 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.2 -0.2 . . . . 50.0 111.171 176.097 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 C--N 1.327 -0.382 0 O-C-N 121.803 -0.56 . . . . 50.0 109.927 177.966 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 . . . . . 0 C--O 1.218 -0.583 0 N-CA-C 108.899 -0.778 . . . . 50.0 108.899 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 83.6 t -65.71 -33.83 66.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-N 115.693 -0.685 . . . . 50.0 111.038 -178.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 67.2 m -65.36 -42.09 93.13 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.646 -0.421 . . . . 50.0 111.167 -179.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.73 -33.71 60.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.475 0.655 . . . . 25.0 109.675 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.6 ttp -63.32 -41.85 98.95 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.213 -0.662 . . . . 50.0 109.213 178.059 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.54 74.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.004 0.43 . . . . 25.0 110.154 179.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.98 74.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.611 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.28 -35.56 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.912 -0.315 . . . . 50.0 110.545 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -59.07 -45.46 90.76 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.495 -0.557 . . . . 50.0 109.495 175.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.72 -38.12 88.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.762 0.315 . . . . 25.0 110.421 178.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.89 97.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.443 179.459 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.437 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 2.4 mt-10 -65.14 -43.24 92.51 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.415 0.626 . . . . 50.0 109.751 179.052 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 39.4 mt -57.75 -45.61 85.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.545 -0.752 . . . . 50.0 110.86 -179.254 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -76.15 -38.94 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.719 1.007 . . . . 50.0 113.719 177.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 433' ' ' MET . . . . . 0.437 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 13.9 ptp -64.21 -37.24 86.75 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 121.424 -0.798 . . . . 50.0 112.686 -174.299 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 27.1 m -57.96 -30.17 65.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.579 0.704 . . . . 25.0 111.578 -175.111 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -65.47 -46.2 80.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.21 -0.45 . . . . 50.0 109.871 -178.197 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -72.41 -41.73 65.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.116 0.484 . . . . 50.0 110.178 178.036 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.83 -43.12 73.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 113.641 0.978 . . . . 50.0 113.641 -176.3 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 112.341 0.497 . . . . 50.0 112.341 -178.992 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.87 -36.17 81.7 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.501 -0.318 . . . . 50.0 111.153 -177.578 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.22 -27.86 68.97 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.5 -0.88 . . . . 50.0 110.339 178.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.74 -43.61 42.07 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 107.938 -2.065 . . . . 50.0 107.938 174.352 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.27 -39.94 67.35 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 120.981 0.419 . . . . 25.0 111.544 179.345 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -66.32 -42.68 87.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.097 0.475 . . . . 50.0 111.391 178.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.12 79.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.904 0.383 . . . . 25.0 110.648 -178.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.8 m -68.74 -30.99 48.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 120.893 -0.323 . . . . 50.0 110.145 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.93 -32.16 65.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 118.076 0.398 . . . . 25.0 111.258 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.28 90.51 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.843 -0.429 . . . . 25.0 109.843 177.342 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.67 67.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.726 0.298 . . . . 25.0 110.881 176.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -68.49 -43.93 75.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.131 0.491 . . . . 50.0 111.199 -179.288 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -67.24 -26.22 66.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.445 -0.784 . . . . 50.0 109.602 177.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -49.98 38.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.058 -0.519 . . . . 50.0 110.266 177.343 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.51 -36.59 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.838 -0.801 . . . . 50.0 108.838 -177.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.55 -36.09 82.65 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.223 177.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.4 -45.09 89.04 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.958 -0.464 . . . . 25.0 110.43 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -70.47 -34.4 57.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.378 -0.601 . . . . 50.0 109.378 -179.173 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.56 -28.1 66.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 178.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.78 -43.56 22.27 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 122.022 -0.424 . . . . 50.0 110.155 176.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.7 mtm -59.35 -28.61 67.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.087 0.47 . . . . 50.0 111.54 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.0 p -79.82 -14.14 58.9 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.045 -0.662 . . . . 25.0 111.693 -175.197 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -106.02 -36.17 7.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.768 -0.196 . . . . 50.0 110.981 174.317 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.327 -0.385 0 O-C-N 121.855 -0.528 . . . . 50.0 110.622 179.061 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 . . . . . 0 C--O 1.217 -0.643 0 CA-C-O 120.653 0.263 . . . . 50.0 111.053 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.55 -28.71 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.161 0.505 . . . . 50.0 109.713 -178.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 45.3 m -67.38 -37.48 83.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.829 -0.545 . . . . 50.0 110.004 177.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -75.68 -32.69 60.23 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 121.829 0.823 . . . . 25.0 109.172 178.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 50.5 ttm -60.45 -35.22 75.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.792 -0.64 . . . . 50.0 110.591 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.94 73.22 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.919 0.39 . . . . 25.0 110.62 178.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.22 -36.83 66.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 178.272 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.71 -42.36 94.78 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 N-CA-C 109.254 -0.647 . . . . 50.0 109.254 177.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.35 -44.44 88.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.899 0.381 . . . . 50.0 110.403 178.274 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.06 89.39 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.864 0.364 . . . . 25.0 110.51 178.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.61 90.14 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.268 -0.424 . . . . 25.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.34 -40.6 94.86 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.805 0.812 . . . . 50.0 110.65 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 73.1 mt -59.71 -45.64 91.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.284 -0.871 . . . . 50.0 110.822 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.76 -30.86 63.03 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 119.815 -0.754 . . . . 50.0 111.608 177.477 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 9.4 tpp -63.21 -41.98 99.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.805 -0.559 . . . . 50.0 109.656 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 44.6 m -60.37 -44.19 95.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.955 0.407 . . . . 25.0 111.422 -179.438 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -71.38 -22.64 61.86 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.25 -0.98 . . . . 50.0 110.102 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -75.09 -47.97 26.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.602 0.593 . . . . 50.0 112.602 175.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 25.1 m -64.0 -30.18 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 113.75 1.019 . . . . 50.0 113.75 -176.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.909 178.099 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 109.811 -0.44 . . . . 25.0 109.811 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.17 -33.91 75.33 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.632 -0.427 . . . . 50.0 111.835 -176.886 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -67.3 -28.6 68.14 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.076 -0.649 . . . . 50.0 110.645 177.659 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -74.02 -38.01 48.81 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 108.474 -1.85 . . . . 50.0 108.474 176.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.03 -37.55 64.23 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 120.942 0.401 . . . . 25.0 111.284 179.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -65.44 -43.2 91.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.083 0.468 . . . . 50.0 112.193 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.72 -44.19 70.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.287 0.565 . . . . 25.0 110.618 -177.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.4 m -68.85 -26.52 32.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 116.284 -0.417 . . . . 50.0 110.805 -178.763 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.09 -31.74 63.5 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.969 0.359 . . . . 25.0 111.969 -179.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.5 91.3 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 177.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.64 -36.87 68.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 176.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.413 ' HA ' HG11 ' A' ' 476' ' ' VAL . 67.5 mm-40 -66.02 -46.56 77.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.216 0.45 . . . . 50.0 112.216 -178.776 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.31 -27.78 69.56 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.417 -0.513 . . . . 50.0 109.647 178.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.99 -51.71 17.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.932 -0.577 . . . . 50.0 110.751 177.086 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' A' ' 473' ' ' GLN . 13.4 p -63.37 -35.96 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 118.749 0.704 . . . . 50.0 109.495 -176.098 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -62.76 -35.97 81.56 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.349 178.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.39 91.83 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.318 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.75 -35.54 61.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.541 0 N-CA-C 109.788 -0.449 . . . . 50.0 109.788 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.11 -26.93 65.12 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.412 0.625 . . . . 25.0 109.951 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -78.67 -42.76 27.73 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.611 -0.514 . . . . 50.0 109.611 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.3 mtm -61.21 -27.16 68.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.984 0.421 . . . . 50.0 111.485 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.7 p -78.8 -17.93 54.93 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.962 -0.695 . . . . 25.0 111.99 -176.49 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -102.81 -35.02 8.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.778 -0.192 . . . . 50.0 110.808 176.056 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 108.96 -0.756 . . . . 50.0 108.96 176.039 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--O 1.217 -0.633 0 CA-C-O 121.423 0.63 . . . . 50.0 109.9 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 55.2 t -72.43 -36.27 54.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.072 -0.513 . . . . 50.0 109.617 -178.55 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.7 m -65.49 -40.34 92.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.541 -0.3 . . . . 50.0 111.581 179.251 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.23 -35.52 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.461 0.648 . . . . 25.0 109.412 179.675 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 61.5 ttp -63.3 -37.89 89.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 50.0 110.04 179.482 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.4 71.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.037 0.446 . . . . 25.0 110.307 178.266 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.82 71.34 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 178.046 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 64.0 t -66.34 -42.75 91.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.271 -0.64 . . . . 50.0 109.271 177.663 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.44 -44.83 92.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.305 0.574 . . . . 50.0 109.584 178.021 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.15 89.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.95 -0.469 . . . . 25.0 110.721 179.234 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.2 88.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.306 -0.407 . . . . 25.0 111.953 -178.274 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -68.1 -32.11 72.19 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.372 -0.931 . . . . 50.0 110.254 -178.758 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.18 -44.43 84.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.768 -0.373 . . . . 50.0 110.526 178.429 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -73.69 -32.25 63.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.691 -0.804 . . . . 50.0 111.459 178.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 61.5 mtm -64.4 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.8 -0.815 . . . . 50.0 108.8 177.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 73.0 m -61.69 -37.21 83.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 176.719 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -65.87 -46.97 76.47 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.415 -0.803 . . . . 50.0 109.101 177.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -45.94 89.92 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.302 0.482 . . . . 50.0 112.302 -177.841 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.88 -37.72 78.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 C-N-CA 120.492 -0.483 . . . . 50.0 112.124 -179.708 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--N 1.323 -0.585 0 O-C-N 121.82 -0.55 . . . . 50.0 111.474 178.624 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -37.52 85.52 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 120.651 -0.42 . . . . 50.0 110.277 179.28 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.02 -33.93 72.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 119.008 0.822 . . . . 50.0 110.498 175.439 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.28 -48.66 62.51 Favored Glycine 0 C--O 1.216 -1.029 0 N-CA-C 108.117 -1.993 . . . . 50.0 108.117 176.047 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.09 64.43 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.214 0.45 . . . . 25.0 112.214 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -70.87 -41.23 71.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.052 0.453 . . . . 50.0 110.954 178.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.15 78.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.08 0.467 . . . . 25.0 110.56 -178.601 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.8 m -68.94 -26.45 32.5 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 110.204 -0.295 . . . . 50.0 110.204 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.98 -33.38 67.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 118.297 0.498 . . . . 25.0 110.733 179.109 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.76 87.68 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 177.352 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.83 -33.5 66.21 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.651 -0.249 . . . . 25.0 110.639 176.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.418 ' HA ' HG13 ' A' ' 476' ' ' VAL . 54.5 mm-40 -68.32 -46.03 71.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.016 0.436 . . . . 50.0 111.404 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.22 -26.72 68.63 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.294 -0.632 . . . . 50.0 109.294 178.021 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.41 -51.2 18.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.049 -0.523 . . . . 50.0 110.633 177.378 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.418 HG13 ' HA ' ' A' ' 473' ' ' GLN . 13.6 p -63.66 -35.47 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 118.758 0.708 . . . . 50.0 109.155 -176.863 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -62.6 -36.24 82.11 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.847 -0.615 . . . . 25.0 110.382 177.832 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.75 93.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.127 -0.358 . . . . 25.0 110.213 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.67 -34.75 58.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 N-CA-C 109.642 -0.503 . . . . 50.0 109.642 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.05 -27.0 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.38 0.61 . . . . 25.0 109.924 179.285 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.04 -42.21 27.04 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.635 -0.506 . . . . 50.0 109.635 177.118 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.4 mtm -62.32 -29.76 70.67 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.877 0.37 . . . . 50.0 111.199 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.8 p -76.45 -34.54 58.72 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.441 -0.904 . . . . 25.0 110.184 -175.425 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -80.75 -32.42 35.6 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.356 -0.538 . . . . 50.0 110.471 175.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.33 -0.258 0 O-C-N 121.758 -0.589 . . . . 50.0 109.671 177.527 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 . . . . . 0 C--O 1.209 -1.077 0 CA-C-O 120.359 0.123 . . . . 50.0 110.872 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 48.5 t -66.0 -34.77 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.216 0.532 . . . . 50.0 109.955 -179.18 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.1 m -70.36 -37.21 74.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.002 -0.436 . . . . 50.0 110.763 178.676 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.23 -33.41 65.32 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 121.598 0.713 . . . . 25.0 109.249 179.43 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.24 -33.2 71.94 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.98 -0.555 . . . . 50.0 111.495 179.729 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.08 -30.44 70.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.271 0.557 . . . . 25.0 110.237 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.62 60.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 177.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.39 -44.51 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.862 -0.792 . . . . 50.0 108.862 177.379 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -55.88 -46.53 78.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.944 0.402 . . . . 50.0 110.35 178.721 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.25 -42.03 99.13 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.986 -0.446 . . . . 25.0 110.954 -179.389 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.7 72.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.937 -178.353 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.25 -31.29 69.74 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.942 -0.703 . . . . 50.0 109.473 -178.337 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.44 -43.45 94.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.429 -0.508 . . . . 50.0 110.702 177.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.95 -32.18 67.03 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.122 -1.031 . . . . 50.0 111.358 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.5 mtm -67.13 -37.65 84.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 174.793 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 92.2 m -61.34 -40.89 95.92 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 177.341 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -62.18 -43.15 99.47 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.491 0.662 . . . . 50.0 109.346 178.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.65 -46.58 87.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.071 -0.968 . . . . 50.0 113.26 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.9 m -72.04 -32.59 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.667 0.988 . . . . 50.0 113.667 -177.417 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.322 -0.599 0 N-CA-C 111.958 0.355 . . . . 50.0 111.958 178.077 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 110.086 -0.338 . . . . 25.0 110.086 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -35.22 79.92 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 122.088 -0.382 . . . . 50.0 110.419 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -59.03 -36.4 74.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.721 0.692 . . . . 50.0 110.332 176.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.21 -45.65 60.77 Favored Glycine 0 C--O 1.22 -0.728 0 N-CA-C 109.075 -1.61 . . . . 50.0 109.075 176.408 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.38 -39.33 67.09 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 122.555 0.342 . . . . 25.0 111.78 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -65.76 -44.4 85.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.085 0.469 . . . . 50.0 111.21 178.913 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.94 82.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.007 0.432 . . . . 25.0 110.518 -178.167 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.5 m -70.01 -28.86 37.93 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.849 0 C-N-CA 120.812 -0.355 . . . . 50.0 110.974 -179.022 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.3 68.59 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.306 0.503 . . . . 25.0 111.307 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.8 82.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.159 -0.311 . . . . 25.0 110.159 177.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -74.46 -36.47 63.33 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.808 -0.178 . . . . 25.0 110.952 176.652 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -66.98 -46.06 75.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.188 0.518 . . . . 50.0 111.875 -178.741 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -63.41 -28.97 70.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.268 -0.641 . . . . 50.0 109.268 178.627 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.75 -51.42 22.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 50.0 111.046 177.765 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.29 -36.59 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 118.631 0.651 . . . . 50.0 109.387 -176.364 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.83 -35.98 82.39 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.407 178.119 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.98 90.94 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.611 -0.435 . . . . 25.0 110.501 -179.5 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.05 -35.41 53.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.636 -0.505 . . . . 50.0 109.636 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.83 65.5 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.403 0.62 . . . . 25.0 109.965 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.76 -41.64 44.01 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.587 0.708 . . . . 50.0 109.338 177.843 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -63.46 -28.2 69.8 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 122.027 -0.421 . . . . 50.0 111.112 178.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.3 p -84.85 -8.5 58.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.142 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -108.82 -28.56 9.11 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.635 -0.257 . . . . 50.0 111.016 174.264 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.444 -0.769 0 CA-C-N 118.336 0.516 . . . . 50.0 111.728 176.508 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 . . . . . 0 C--O 1.217 -0.616 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.49 -26.71 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.993 0.425 . . . . 50.0 109.968 178.71 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.3 m -66.26 -38.15 87.15 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.588 -0.695 . . . . 50.0 110.06 177.265 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -75.75 -32.99 60.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.9 0.857 . . . . 25.0 109.105 177.359 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 39.0 ttm -62.32 -33.61 75.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.676 -0.693 . . . . 50.0 109.955 178.87 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.29 70.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.879 178.744 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.24 72.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 177.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.83 -43.72 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.878 -0.786 . . . . 50.0 108.878 177.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.12 -41.9 93.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.816 -0.439 . . . . 50.0 109.816 178.011 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.33 93.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.376 -0.202 . . . . 25.0 110.736 179.444 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.73 -45.03 84.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.86 0.362 . . . . 25.0 110.299 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.59 -45.49 93.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.75 0.786 . . . . 50.0 109.401 179.502 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 50.7 mt -62.64 -46.35 88.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.41 -0.813 . . . . 50.0 111.783 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.81 -32.18 71.71 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.329 -0.948 . . . . 50.0 111.189 -177.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 63.6 mtm -66.36 -43.9 84.7 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.59 -0.893 . . . . 50.0 108.59 176.534 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 55.7 m -61.34 -40.31 93.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.179 0.514 . . . . 25.0 109.999 178.232 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -67.58 -39.13 84.88 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.955 -1.091 . . . . 50.0 110.081 178.333 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -61.82 -41.82 98.26 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.266 0.469 . . . . 50.0 112.266 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.59 -32.98 30.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.608 0.595 . . . . 50.0 112.608 179.646 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.625 -0.262 . . . . 50.0 111.535 176.812 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.529 0.204 . . . . 25.0 110.892 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -35.2 80.18 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 122.152 -0.342 . . . . 50.0 110.689 -178.73 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -59.47 -36.14 75.41 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.633 -0.827 . . . . 50.0 110.816 175.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.38 -47.15 64.91 Favored Glycine 0 C--O 1.219 -0.816 0 N-CA-C 108.072 -2.011 . . . . 50.0 108.072 175.855 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.09 -37.6 64.44 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 112.363 0.505 . . . . 25.0 112.363 179.442 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -72.06 -40.55 68.24 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.834 -0.541 . . . . 50.0 111.249 178.653 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.06 85.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.184 0.516 . . . . 25.0 109.791 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.7 m -69.65 -28.37 37.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-N 116.439 -0.346 . . . . 50.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.98 -29.24 65.07 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.97 0.35 . . . . 25.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.11 86.18 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 177.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -74.77 -34.35 62.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.692 0.282 . . . . 25.0 110.694 175.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.418 ' HA ' HG13 ' A' ' 476' ' ' VAL . 55.7 mm-40 -69.94 -45.13 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.118 0.485 . . . . 50.0 111.732 -177.534 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -63.19 -28.29 69.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.945 -0.761 . . . . 50.0 108.945 178.292 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.09 -51.72 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.589 -0.732 . . . . 50.0 110.783 178.509 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.418 HG13 ' HA ' ' A' ' 473' ' ' GLN . 11.5 p -63.17 -36.36 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 118.632 0.651 . . . . 50.0 109.447 -176.739 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -63.06 -36.37 83.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.856 -0.611 . . . . 25.0 110.427 177.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.36 93.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.597 -0.441 . . . . 25.0 110.354 -179.338 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.12 -34.68 55.76 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 N-CA-C 109.719 -0.475 . . . . 50.0 109.719 -179.12 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.93 65.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.328 0.585 . . . . 25.0 109.744 179.492 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.98 -42.08 24.62 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 121.276 0.56 . . . . 50.0 109.861 177.041 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.3 mtm -62.25 -27.18 68.83 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 116.347 -0.388 . . . . 50.0 111.842 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.7 p -79.25 -36.06 40.53 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 119.152 -1.019 . . . . 25.0 110.014 -176.401 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -79.93 -29.05 39.66 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.416 -0.514 . . . . 50.0 111.009 177.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-N 118.42 0.555 . . . . 50.0 110.885 177.869 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.213 -0.83 0 CA-C-O 121.867 0.842 . . . . 50.0 110.206 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 17.3 t -69.6 -34.23 60.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.593 -0.731 . . . . 50.0 109.913 -178.128 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.2 m -69.59 -37.1 76.78 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.784 -0.45 . . . . 50.0 109.784 178.707 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.35 -32.04 68.07 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 178.448 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 3.0 tpp -59.74 -33.62 71.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.948 0.404 . . . . 50.0 110.534 178.482 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.54 -31.69 71.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.915 0.388 . . . . 25.0 110.337 178.321 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.22 -36.74 66.54 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 178.082 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.84 -44.39 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.893 -0.78 . . . . 50.0 108.893 177.404 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.59 -46.12 87.64 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.958 0.408 . . . . 50.0 109.942 178.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.13 88.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.231 -0.293 . . . . 25.0 110.723 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.67 -44.4 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.691 179.593 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.36 -43.45 98.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.84 0.829 . . . . 50.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.09 -42.59 98.79 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.361 -0.836 . . . . 50.0 111.086 178.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -72.83 -32.23 65.35 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.815 -0.754 . . . . 50.0 111.079 179.051 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 3.1 tpp -62.89 -46.23 88.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.582 -0.896 . . . . 50.0 108.582 177.028 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 32.2 m -59.16 -44.83 92.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 -177.564 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -67.3 -31.1 71.16 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.23 -0.919 . . . . 50.0 109.787 179.376 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -72.34 -44.42 62.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.478 0.918 . . . . 50.0 113.478 178.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.78 -32.61 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 113.407 0.892 . . . . 50.0 113.407 -177.065 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 112.333 0.494 . . . . 50.0 112.333 179.159 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 110.515 -0.179 . . . . 25.0 110.515 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -34.31 77.79 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 122.138 -0.351 . . . . 50.0 110.441 179.422 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.6 -31.38 71.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.443 -0.786 . . . . 50.0 110.422 176.68 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.55 46.93 Favored Glycine 0 C--O 1.217 -0.952 0 N-CA-C 108.303 -1.919 . . . . 50.0 108.303 175.089 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.55 -39.51 67.79 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 120.966 0.412 . . . . 25.0 111.358 179.161 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -65.65 -43.17 90.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.197 0.523 . . . . 50.0 111.247 178.462 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.27 79.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.964 0.412 . . . . 25.0 110.612 -178.251 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.5 m -69.71 -29.71 42.09 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 C-N-CA 120.836 -0.346 . . . . 50.0 110.149 -179.562 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.93 65.48 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.127 0.421 . . . . 25.0 111.632 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.24 90.32 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 177.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -34.55 67.25 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 120.638 0.256 . . . . 25.0 110.512 176.548 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.421 ' HA ' HG13 ' A' ' 476' ' ' VAL . 54.2 mm-40 -67.93 -47.21 69.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.864 0.364 . . . . 50.0 111.966 -179.2 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.15 -26.31 68.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.313 -0.625 . . . . 50.0 109.313 178.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -52.2 13.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 50.0 110.732 177.108 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.421 HG13 ' HA ' ' A' ' 473' ' ' GLN . 12.6 p -63.94 -38.71 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 118.788 0.722 . . . . 50.0 110.034 -175.658 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -64.71 -30.62 71.64 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.099 179.097 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.9 96.64 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.287 -0.565 . . . . 25.0 110.077 179.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.15 -32.92 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 -178.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.98 65.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 178.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.19 -43.11 19.79 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.081 0.467 . . . . 50.0 110.493 176.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.0 mtm -61.66 -24.96 67.08 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 112.166 0.432 . . . . 50.0 112.166 -179.095 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 19.0 p -79.89 -36.4 36.56 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.306 -0.958 . . . . 25.0 110.01 -176.148 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -79.87 -31.48 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.587 -0.445 . . . . 50.0 110.787 176.786 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.452 -0.327 0 O-C-N 121.881 -0.512 . . . . 50.0 110.82 178.34 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 C--O 1.212 -0.887 0 CA-C-O 120.731 0.301 . . . . 50.0 110.891 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 85.2 t -67.69 -31.87 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 121.688 -0.633 . . . . 50.0 109.496 177.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.3 m -70.73 -36.06 73.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.085 -0.709 . . . . 50.0 109.085 178.261 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -72.97 -30.51 63.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 178.889 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.2 tpp -61.08 -31.56 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.399 -0.364 . . . . 50.0 110.999 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.71 -32.11 73.64 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.069 0.462 . . . . 25.0 110.295 178.754 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.92 -35.72 67.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 178.244 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.72 -42.53 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.458 -0.571 . . . . 50.0 109.458 178.174 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.18 -45.84 79.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.811 -0.441 . . . . 50.0 109.811 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.26 85.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.648 -0.251 . . . . 25.0 111.306 179.666 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.54 93.82 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.412 -0.358 . . . . 25.0 111.03 -178.605 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.61 -41.61 98.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.757 0.789 . . . . 50.0 110.298 -179.323 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 67.7 mt -60.94 -44.18 97.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.417 -0.81 . . . . 50.0 111.411 178.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -73.57 -31.8 63.81 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.703 -0.799 . . . . 50.0 110.962 178.002 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 7.4 tpp -60.63 -42.15 96.31 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.748 -0.834 . . . . 50.0 108.748 177.263 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 38.5 m -61.81 -37.37 84.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.068 178.704 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -67.97 -44.44 76.7 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 119.534 -0.866 . . . . 50.0 109.555 177.193 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.06 -40.66 94.49 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 113.59 0.959 . . . . 50.0 113.59 -178.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.7 m -67.7 -33.33 61.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.352 -0.539 . . . . 50.0 111.365 178.62 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 112.035 0.383 . . . . 50.0 112.035 177.225 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 110.514 -0.18 . . . . 25.0 110.514 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 -34.55 78.54 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.513 -0.475 . . . . 50.0 110.236 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.38 -34.17 72.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.732 -0.605 . . . . 50.0 110.97 176.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.97 -42.77 36.29 Favored Glycine 0 C--O 1.223 -0.536 0 N-CA-C 108.935 -1.666 . . . . 50.0 108.935 176.243 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.17 -39.11 69.15 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 120.896 0.379 . . . . 25.0 111.307 179.671 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -63.67 -45.59 89.4 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.196 0.522 . . . . 50.0 111.295 178.427 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.69 82.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.429 . . . . 25.0 110.731 -177.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.69 -31.3 48.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 C-N-CA 120.541 -0.464 . . . . 50.0 110.514 -178.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.48 -34.63 69.24 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.266 0.484 . . . . 25.0 111.492 -179.358 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.64 88.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.903 -0.406 . . . . 25.0 109.903 177.904 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.8 67.24 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.361 -0.212 . . . . 25.0 110.649 177.11 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -68.9 -45.05 71.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.959 -0.463 . . . . 50.0 112.035 -178.439 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.06 -26.76 68.7 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.15 -0.685 . . . . 50.0 109.15 178.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -52.7 10.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.41 -0.814 . . . . 50.0 111.147 178.046 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.4 p -63.07 -36.69 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 118.57 0.623 . . . . 50.0 110.146 -175.235 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -63.36 -35.18 79.53 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.149 -0.478 . . . . 25.0 110.282 178.549 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.84 95.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.239 -179.353 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -70.69 -35.08 59.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 C-N-CA 120.61 -0.436 . . . . 50.0 109.848 -178.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.11 -26.92 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.31 0.576 . . . . 25.0 109.922 179.459 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.35 -43.89 18.4 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-O 120.931 0.396 . . . . 50.0 110.018 177.117 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.2 mtm -59.76 -29.01 67.88 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 120.842 0.353 . . . . 50.0 111.61 -179.3 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.5 p -76.36 -37.19 57.61 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 119.093 -1.043 . . . . 25.0 109.765 -175.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -86.13 -19.07 30.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.488 0.921 . . . . 50.0 113.488 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 N--CA 1.446 -0.651 0 CA-C-N 118.302 0.501 . . . . 50.0 111.185 175.403 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--O 1.212 -0.905 0 N-CA-C 110.199 -0.297 . . . . 50.0 110.199 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.46 -35.48 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.001 0.429 . . . . 50.0 110.396 178.092 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.3 m -64.65 -40.48 95.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.953 -0.467 . . . . 50.0 110.717 179.773 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -75.74 -30.39 59.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.401 0.62 . . . . 25.0 110.263 178.796 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.7 ttp -62.73 -42.71 99.8 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 109.304 -0.628 . . . . 50.0 109.304 178.484 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.11 -33.06 75.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.243 0.544 . . . . 25.0 110.472 178.82 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.82 -44.69 66.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 25.0 111.09 -179.423 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.64 -33.31 48.53 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 O-C-N 122.32 -0.237 . . . . 50.0 110.564 -179.34 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -57.83 -43.86 86.09 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.223 -0.658 . . . . 50.0 109.223 175.377 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.16 82.48 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.756 0.312 . . . . 25.0 110.864 178.562 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.58 87.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.699 0.285 . . . . 25.0 110.305 179.265 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.8 -44.07 97.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 109.039 -0.726 . . . . 50.0 109.039 178.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.02 -43.28 95.37 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.989 -0.55 . . . . 50.0 112.188 179.339 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -73.41 -32.11 64.25 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.202 -0.999 . . . . 50.0 110.856 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 68.9 mtm -67.93 -32.05 72.23 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.524 -0.735 . . . . 50.0 110.697 175.918 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.8 m -56.16 -41.89 76.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.362 0.265 . . . . 25.0 111.344 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -27.0 64.95 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 118.872 -1.131 . . . . 50.0 111.07 -178.675 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -72.66 -44.99 61.14 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.627 -0.429 . . . . 50.0 110.21 179.295 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.82 -31.71 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 112.892 0.701 . . . . 50.0 112.892 -176.042 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--N 1.319 -0.731 0 N-CA-C 112.152 0.427 . . . . 50.0 112.152 176.691 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 119.779 -0.153 . . . . 25.0 111.31 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.36 -37.27 84.93 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 117.962 0.347 . . . . 50.0 111.335 -178.321 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -60.68 -33.66 73.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.65 -0.656 . . . . 50.0 110.068 176.888 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.45 -47.99 32.41 Favored Glycine 0 C--O 1.215 -1.047 0 N-CA-C 109.035 -1.626 . . . . 50.0 109.035 176.124 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.79 -38.96 65.04 Favored 'General case' 0 C--O 1.209 -1.058 0 C-N-CA 123.037 0.535 . . . . 25.0 112.417 -178.317 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -72.88 -40.13 65.87 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 122.603 1.192 . . . . 50.0 113.648 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.5 92.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 115.119 -0.946 . . . . 25.0 110.153 178.038 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -73.69 -26.58 21.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 CA-C-O 119.339 -0.363 . . . . 50.0 110.51 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.58 -35.66 66.01 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.519 0.6 . . . . 25.0 111.115 -179.419 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.19 89.82 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.809 0.337 . . . . 25.0 110.278 177.025 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.67 -34.44 67.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.677 0.275 . . . . 25.0 110.915 176.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.427 ' HA ' HG12 ' A' ' 476' ' ' VAL . 70.7 mm-40 -68.34 -47.62 66.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.009 -0.432 . . . . 50.0 111.695 -179.745 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 8.4 ptm85 -64.37 -26.13 68.33 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.193 -0.603 . . . . 50.0 109.855 178.186 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -50.33 32.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.895 -0.593 . . . . 50.0 110.151 176.736 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.2 p -64.14 -35.31 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.945 -0.761 . . . . 50.0 108.945 -177.741 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -62.73 -36.9 84.51 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.518 -0.765 . . . . 25.0 109.697 178.05 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.79 92.58 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.113 -0.367 . . . . 25.0 110.678 179.377 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -69.8 -34.23 59.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 O-C-N 121.981 -0.449 . . . . 50.0 109.842 -179.02 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.09 -27.12 65.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.436 0.636 . . . . 25.0 109.337 178.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.31 -41.16 22.52 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.202 0.525 . . . . 50.0 110.428 176.829 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.8 mtm -61.55 -28.08 69.08 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.539 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.9 p -79.08 -34.7 43.37 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.439 -0.904 . . . . 25.0 110.592 -175.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -81.04 -24.17 38.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.545 -0.462 . . . . 50.0 110.803 176.629 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.307 0.575 . . . . 50.0 111.83 176.136 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--O 1.209 -1.034 0 CA-C-O 121.24 0.543 . . . . 50.0 109.656 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.24 -35.13 74.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.068 -0.515 . . . . 50.0 110.641 179.684 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 49.3 m -66.03 -38.71 89.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.823 -0.548 . . . . 50.0 110.334 177.803 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.74 -30.14 59.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.411 0.624 . . . . 25.0 109.91 179.382 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 49.1 ttm -60.49 -40.69 92.21 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 109.079 -0.712 . . . . 50.0 109.079 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.96 -33.92 76.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.932 0.396 . . . . 25.0 110.854 178.77 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.69 -46.78 57.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.808 0.337 . . . . 25.0 111.07 -179.061 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.84 -34.17 63.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 N-CA-C 110.376 -0.231 . . . . 50.0 110.376 -178.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -57.37 -44.55 84.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.419 -0.585 . . . . 50.0 109.419 175.62 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.25 90.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.18 -0.325 . . . . 25.0 110.661 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.23 88.72 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.392 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -62.74 -46.09 89.67 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 178.854 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 51.1 mt -58.42 -41.92 86.06 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.91 0.707 . . . . 50.0 112.91 179.435 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -74.78 -32.8 62.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 119.82 -0.752 . . . . 50.0 111.948 176.358 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 60.8 mtm -68.14 -34.37 76.23 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.763 -0.586 . . . . 50.0 110.228 177.748 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.0 m -54.54 -32.7 58.75 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.46 0.648 . . . . 25.0 110.343 178.328 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -66.48 -42.79 86.95 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.746 -0.596 . . . . 50.0 109.884 -178.792 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -72.33 -38.05 68.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.609 -0.885 . . . . 50.0 108.609 -179.313 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.47 -41.62 85.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.011 -0.995 . . . . 50.0 111.161 178.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--N 1.323 -0.569 0 CA-C-O 120.865 0.364 . . . . 50.0 110.913 178.489 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 110.264 -0.273 . . . . 25.0 110.264 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -33.88 75.76 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.483 -0.562 . . . . 50.0 109.483 178.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.53 -34.76 73.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.139 -0.624 . . . . 50.0 109.912 174.791 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.27 -44.84 73.42 Favored Glycine 0 C--O 1.218 -0.883 0 N-CA-C 108.697 -1.761 . . . . 50.0 108.697 176.091 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.32 65.88 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.767 0.427 . . . . 25.0 111.586 179.39 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -67.86 -42.13 81.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.037 0.446 . . . . 50.0 111.515 178.426 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.22 79.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.157 0.503 . . . . 25.0 110.574 -178.606 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.27 -26.46 31.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 CA-C-N 116.411 -0.359 . . . . 50.0 110.488 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.14 -32.8 64.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 117.946 0.339 . . . . 25.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.98 89.43 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 177.312 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -34.31 67.08 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 120.571 0.225 . . . . 25.0 110.509 176.623 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.427 ' HA ' HG12 ' A' ' 476' ' ' VAL . 60.7 mm-40 -67.9 -46.52 71.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.092 0.472 . . . . 50.0 112.049 -179.307 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.18 -27.19 69.2 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.229 -0.656 . . . . 50.0 109.229 178.111 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.27 -51.64 14.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.856 -0.611 . . . . 50.0 111.056 177.333 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.0 p -62.94 -35.71 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 118.8 0.727 . . . . 50.0 109.808 -175.753 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -62.13 -35.79 79.83 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.211 178.693 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.74 95.79 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.25 -33.11 49.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 121.957 -0.464 . . . . 50.0 109.87 -179.296 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.96 65.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 178.567 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -78.97 -44.35 22.6 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 121.022 0.439 . . . . 50.0 109.975 177.59 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.9 mtm -60.68 -31.07 70.33 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 121.301 0.572 . . . . 50.0 111.328 -179.462 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.0 p -77.04 -31.58 56.36 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.785 -0.766 . . . . 25.0 110.614 -174.574 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -85.05 -30.32 24.21 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.36 -0.536 . . . . 50.0 110.992 174.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.33 -0.244 0 O-C-N 121.697 -0.627 . . . . 50.0 109.504 178.367 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 110.017 -0.364 . . . . 50.0 110.017 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 26.0 t -74.12 -41.07 51.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 50.0 110.491 -179.369 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.0 m -64.26 -38.37 90.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.043 0.449 . . . . 50.0 110.268 179.183 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -74.72 -24.99 58.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.239 -0.437 . . . . 25.0 110.548 178.403 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 25.9 ttm -64.29 -46.69 82.51 Favored 'General case' 0 C--O 1.215 -0.751 0 N-CA-C 107.471 -1.307 . . . . 50.0 107.471 177.35 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.12 76.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.981 0.42 . . . . 25.0 110.603 -179.333 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.25 -48.2 68.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 25.0 111.448 -179.829 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.14 -35.48 58.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 C-N-CA 121.1 -0.24 . . . . 50.0 110.614 -178.447 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.76 -47.62 84.03 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.722 -0.473 . . . . 50.0 109.722 176.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.28 93.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.929 0.395 . . . . 25.0 110.211 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.74 75.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.506 -179.1 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.13 -31.08 69.52 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.677 -0.64 . . . . 50.0 110.486 -178.161 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.86 -43.69 95.35 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.002 -0.436 . . . . 50.0 110.728 177.045 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.91 -32.26 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.263 -0.975 . . . . 50.0 109.909 178.244 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.0 tpp -61.79 -40.76 96.34 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 177.317 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 63.4 m -63.91 -37.58 87.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.483 . . . . 25.0 110.081 178.534 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -65.99 -46.76 76.85 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.401 -0.812 . . . . 50.0 109.315 177.471 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.96 -44.23 82.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.622 -0.717 . . . . 50.0 112.115 -178.323 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.2 -35.59 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 113.282 0.845 . . . . 50.0 113.282 179.522 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 70.4 mt . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 112.593 0.59 . . . . 50.0 112.593 178.649 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.998 -0.371 . . . . 25.0 109.998 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -37.47 85.92 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 120.796 -0.361 . . . . 50.0 110.806 -179.349 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -57.53 -38.5 74.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.761 0.709 . . . . 50.0 110.958 177.354 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.25 44.38 Favored Glycine 0 C--O 1.222 -0.655 0 N-CA-C 109.543 -1.423 . . . . 50.0 109.543 176.857 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.26 -38.98 63.52 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -65.3 -47.83 75.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.199 0.523 . . . . 50.0 111.201 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.5 87.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.739 -177.587 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.3 m -70.13 -31.36 47.22 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.039 0 C-N-CA 120.323 -0.551 . . . . 50.0 110.734 -178.57 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.94 71.64 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.582 0.628 . . . . 25.0 111.417 -178.67 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.21 86.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 178.07 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.14 68.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.756 -0.202 . . . . 25.0 110.999 177.604 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.402 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.9 mm-40 -66.22 -46.15 78.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.884 -0.51 . . . . 50.0 111.886 -179.29 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.92 -27.55 69.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.533 -0.543 . . . . 50.0 109.533 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -52.57 12.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 50.0 110.867 177.184 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 473' ' ' GLN . 15.0 p -63.02 -36.09 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 118.725 0.693 . . . . 50.0 109.904 -175.293 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -62.88 -35.31 79.57 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.246 178.762 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.37 89.83 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.567 -0.453 . . . . 25.0 110.088 -179.463 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.44 -35.34 66.43 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 N-CA-C 109.803 -0.443 . . . . 50.0 109.803 -178.624 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.41 -26.8 63.66 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.4 mt -81.37 -42.87 19.83 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.996 0.426 . . . . 50.0 110.754 176.291 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 41.5 mtm -59.55 -24.09 63.41 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 115.816 -0.629 . . . . 50.0 111.745 -178.069 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 40.7 p -80.52 -24.23 39.49 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 119.739 -0.784 . . . . 25.0 110.616 -177.859 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.89 -37.16 20.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.797 0.808 . . . . 50.0 108.925 177.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--N 1.321 -0.637 0 N-CA-C 107.151 -1.426 . . . . 50.0 107.151 173.717 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 120.665 0.269 . . . . 50.0 111.508 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.2 -34.4 69.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.664 0.269 . . . . 50.0 110.901 -176.34 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 39.4 m -68.4 -42.44 79.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.066 0.46 . . . . 50.0 110.649 -179.573 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -75.55 -30.29 59.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.079 -0.51 . . . . 25.0 109.654 -179.339 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 64.0 ttp -64.0 -40.67 96.88 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.832 -0.803 . . . . 50.0 108.832 176.375 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.77 -34.27 77.94 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.94 -0.475 . . . . 25.0 110.536 178.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.13 -45.54 66.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.632 0.253 . . . . 25.0 111.378 179.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.08 -32.56 48.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 C-N-CA 120.869 -0.332 . . . . 50.0 110.559 -179.21 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.28 -43.63 88.08 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.023 -0.732 . . . . 50.0 109.023 174.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.86 88.96 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.992 -0.443 . . . . 25.0 110.326 179.33 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.75 -42.82 85.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.285 178.799 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.19 -45.24 95.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.912 -0.773 . . . . 50.0 108.912 178.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.85 -43.62 98.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.836 -0.62 . . . . 50.0 112.25 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -73.75 -33.09 64.15 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.426 -0.909 . . . . 50.0 111.924 178.619 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 70.1 mtm -65.2 -38.0 89.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 108.732 -0.84 . . . . 50.0 108.732 176.077 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 87.9 m -59.27 -38.51 80.29 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.379 -0.601 . . . . 25.0 109.379 176.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -65.36 -42.24 93.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.365 -0.835 . . . . 50.0 109.404 179.392 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.91 -44.85 88.21 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.11 0.781 . . . . 50.0 113.11 -178.842 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.58 -33.03 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 120.399 -0.521 . . . . 50.0 111.052 -179.675 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--N 1.322 -0.595 0 N-CA-C 112.822 0.675 . . . . 50.0 112.822 176.187 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -39.98 92.12 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 122.219 -0.3 . . . . 50.0 110.218 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.26 -30.13 71.33 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.556 -0.715 . . . . 50.0 110.905 178.169 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.94 -48.22 55.68 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 108.124 -1.99 . . . . 50.0 108.124 175.566 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.81 -38.49 70.04 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.826 0.313 . . . . 25.0 111.45 179.029 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -66.92 -44.98 79.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 50.0 110.617 178.665 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.15 89.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.137 -0.483 . . . . 25.0 110.828 -178.019 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -70.0 -31.44 47.83 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 C-N-CA 120.291 -0.563 . . . . 50.0 109.844 -179.475 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.85 -35.49 73.01 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.643 0.656 . . . . 25.0 111.007 -179.684 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.26 86.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 177.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -37.69 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.517 0.199 . . . . 25.0 110.721 177.035 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -66.02 -45.44 81.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.97 -0.456 . . . . 50.0 111.714 -178.576 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.47 -27.12 68.77 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.393 -0.523 . . . . 50.0 109.63 179.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.96 -52.68 12.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.851 -0.613 . . . . 50.0 110.414 177.529 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 12.4 p -63.58 -36.54 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 118.449 0.568 . . . . 50.0 109.771 -175.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -64.67 -32.37 74.01 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.198 -0.456 . . . . 25.0 110.756 178.416 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.73 99.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.585 -0.446 . . . . 25.0 110.085 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.7 -34.27 51.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 N-CA-C 109.392 -0.595 . . . . 50.0 109.392 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.26 -26.83 65.26 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.4 0.619 . . . . 25.0 110.118 179.459 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.0 mt -77.03 -41.82 41.0 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.329 -0.619 . . . . 50.0 109.329 176.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.4 mtm -63.86 -28.37 69.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.392 -0.367 . . . . 50.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 41.3 p -78.72 -34.94 45.53 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 119.282 -0.967 . . . . 25.0 110.008 -177.042 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -78.12 -32.84 50.66 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.893 -0.723 . . . . 50.0 110.335 177.086 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--N 1.331 -0.229 0 O-C-N 121.832 -0.543 . . . . 50.0 109.735 178.312 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--O 1.213 -0.868 0 CA-C-O 120.596 0.236 . . . . 50.0 110.545 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.2 -30.05 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 122.032 -0.417 . . . . 50.0 110.825 178.644 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 37.7 m -66.01 -40.69 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.452 -0.78 . . . . 50.0 110.028 179.395 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -75.93 -32.21 59.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.304 0.574 . . . . 25.0 109.622 178.413 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 39.5 ttm -61.8 -37.71 85.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.05 -0.523 . . . . 50.0 110.221 179.229 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -61.78 -31.87 72.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.14 0.495 . . . . 25.0 111.123 179.298 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.48 -36.08 71.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 178.225 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.39 -43.97 87.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.838 -0.801 . . . . 50.0 108.838 178.349 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -58.63 -45.16 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.627 -0.509 . . . . 50.0 109.627 178.874 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.09 98.94 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.878 -0.514 . . . . 25.0 111.04 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.19 81.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.192 0.441 . . . . 25.0 112.192 -178.371 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.449 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 26.0 pt-20 -70.36 -32.36 70.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.636 -0.826 . . . . 50.0 109.788 -178.631 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.54 -46.07 90.06 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.558 -0.457 . . . . 50.0 109.975 177.802 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -73.62 -36.12 65.41 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.013 -1.075 . . . . 50.0 112.999 -178.262 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 433' ' ' MET . . . . . 0.449 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 21.6 ptp -64.92 -35.89 82.62 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 119.485 -0.886 . . . . 50.0 110.249 -179.812 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 37.7 m -67.48 -37.43 82.88 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -64.73 -43.76 92.36 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.963 -0.754 . . . . 50.0 108.963 178.411 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -46.96 87.46 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.544 -0.753 . . . . 50.0 112.351 -179.093 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.8 m -69.53 -38.26 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 120.307 -0.557 . . . . 50.0 111.382 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--O 1.217 -0.63 0 C-N-CA 121.23 -0.188 . . . . 50.0 111.414 179.312 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 111.209 0.077 . . . . 25.0 111.209 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -31.55 72.55 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 121.771 -0.58 . . . . 50.0 110.214 -179.591 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -59.99 -34.94 73.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.901 -0.5 . . . . 50.0 110.161 176.359 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.21 -40.02 56.67 Favored Glycine 0 C--O 1.22 -0.721 0 N-CA-C 109.471 -1.451 . . . . 50.0 109.471 176.526 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.0 71.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.786 0.326 . . . . 25.0 110.939 179.285 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -64.54 -44.22 91.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.179 0.514 . . . . 50.0 111.161 178.355 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.27 -45.33 80.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.354 -178.13 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.2 m -69.8 -28.01 35.4 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 C-N-CA 120.309 -0.556 . . . . 50.0 110.767 -178.691 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.14 70.41 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.807 -0.558 . . . . 25.0 110.879 179.531 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.76 84.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 177.549 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.73 -36.45 67.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.576 0.227 . . . . 25.0 110.917 177.335 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.57 -45.73 78.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.142 0.496 . . . . 50.0 111.659 -179.643 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -65.12 -27.02 68.45 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 119.84 -0.744 . . . . 50.0 109.501 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.75 -49.83 28.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.075 -0.511 . . . . 50.0 111.033 177.06 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.64 -36.73 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 118.707 0.685 . . . . 50.0 109.259 -177.079 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -64.25 -33.6 76.18 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.652 178.382 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.46 99.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.857 -0.527 . . . . 25.0 110.209 179.335 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.61 -34.46 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.61 -0.515 . . . . 50.0 109.61 179.814 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.68 -25.41 64.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 179.043 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.99 -41.82 22.13 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 121.02 0.438 . . . . 50.0 110.092 176.203 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.0 mtm -60.85 -28.19 68.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.909 0.385 . . . . 50.0 111.737 -179.924 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 37.0 p -76.77 -36.25 57.15 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.635 -0.826 . . . . 25.0 110.756 -176.845 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.8 -29.37 40.28 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.472 -0.491 . . . . 50.0 110.153 176.679 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.463 0.189 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 175.781 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.215 -0.754 0 CA-C-O 120.639 0.257 . . . . 50.0 110.675 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.63 -33.07 57.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.72 0.295 . . . . 50.0 110.473 177.72 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.8 m -66.82 -39.0 87.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.785 -0.572 . . . . 50.0 110.156 179.03 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -73.79 -33.44 64.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.46 0.648 . . . . 25.0 109.32 178.205 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 63.5 ttp -65.35 -33.35 75.77 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 115.968 -0.56 . . . . 50.0 110.365 179.873 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.59 70.64 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.027 0.441 . . . . 25.0 110.867 178.687 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.04 70.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.843 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.99 -42.66 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.279 -0.637 . . . . 50.0 109.279 178.322 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.41 -44.19 88.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.323 0.582 . . . . 50.0 109.671 178.433 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.0 94.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.808 -0.558 . . . . 25.0 111.059 179.215 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.66 -44.88 80.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.613 -178.516 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -69.76 -31.02 68.74 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.71 -0.796 . . . . 50.0 109.99 -179.108 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.95 -44.19 93.58 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.938 -0.477 . . . . 50.0 111.333 177.695 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.46 -32.22 68.07 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.412 -0.915 . . . . 50.0 110.724 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.4 mtm -67.73 -39.71 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.725 -0.472 . . . . 50.0 109.725 176.565 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.4 m -60.18 -40.58 90.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.078 -0.342 . . . . 25.0 110.078 178.457 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.79 -47.47 84.99 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.591 0.71 . . . . 50.0 109.198 178.357 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.29 -43.69 96.05 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.087 -0.961 . . . . 50.0 113.062 -177.81 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.98 -37.16 66.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 C-N-CA 120.391 -0.523 . . . . 50.0 112.296 -179.151 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 C--N 1.324 -0.543 0 C-N-CA 120.914 -0.314 . . . . 50.0 110.676 178.309 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.426 0 N-CA-C 110.71 -0.107 . . . . 25.0 110.71 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -35.06 79.85 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 122.109 -0.37 . . . . 50.0 111.121 -178.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -56.04 -38.06 70.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.336 0.588 . . . . 50.0 110.481 175.865 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.06 -44.54 35.67 Favored Glycine 0 C--O 1.22 -0.734 0 N-CA-C 109.373 -1.491 . . . . 50.0 109.373 177.209 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.13 -39.6 66.62 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 122.443 0.297 . . . . 25.0 111.729 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -65.88 -44.23 85.97 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.007 0.432 . . . . 50.0 111.586 178.836 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.23 85.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.147 0.498 . . . . 25.0 110.36 -178.341 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.57 -27.08 27.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.933 -0.307 . . . . 50.0 110.89 -179.223 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.23 -33.06 67.16 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.989 0.359 . . . . 25.0 111.656 -179.199 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.19 93.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 177.627 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.67 -33.69 66.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.704 0.288 . . . . 25.0 110.588 177.479 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.411 ' HA ' HG12 ' A' ' 476' ' ' VAL . 58.7 mm-40 -70.28 -45.71 65.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.021 -0.425 . . . . 50.0 111.634 -179.17 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -64.46 -27.26 68.87 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.27 -0.641 . . . . 50.0 109.27 178.604 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.55 -52.39 18.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.821 -0.627 . . . . 50.0 110.567 177.021 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -63.76 -36.75 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 118.63 0.65 . . . . 50.0 109.274 -176.646 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.95 -36.04 82.64 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.018 177.873 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.49 90.35 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.22 -179.445 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.68 -35.77 62.29 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 N-CA-C 109.71 -0.478 . . . . 50.0 109.71 -179.152 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.95 65.34 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.606 0.717 . . . . 25.0 109.743 179.54 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.55 -41.79 23.5 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 109.734 -0.469 . . . . 50.0 109.734 177.479 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 43.4 mtm -61.24 -30.17 70.28 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 120.787 0.327 . . . . 50.0 111.074 179.318 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 28.0 p -75.77 -33.97 60.22 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.445 -0.902 . . . . 25.0 110.277 -175.875 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -83.8 -30.32 26.66 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.353 -0.539 . . . . 50.0 111.769 177.278 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.446 -0.654 0 O-C-N 121.65 -0.656 . . . . 50.0 111.836 179.036 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 . . . . . 0 C--O 1.212 -0.901 0 CA-C-O 120.524 0.202 . . . . 50.0 110.813 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.77 -27.58 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.846 0.355 . . . . 50.0 110.322 -178.329 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.2 m -67.96 -41.23 82.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.896 -0.503 . . . . 50.0 110.324 179.388 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.78 -34.08 60.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.456 0.646 . . . . 25.0 109.363 178.767 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 48.2 ttm -59.22 -44.22 92.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.633 -0.712 . . . . 50.0 109.26 178.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.45 80.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.07 0.462 . . . . 25.0 110.283 -179.725 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.81 -46.27 66.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.422 -0.354 . . . . 25.0 111.262 -178.808 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.61 -37.2 68.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 121.018 -0.273 . . . . 50.0 110.6 -178.859 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.77 -43.2 99.31 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.495 -0.557 . . . . 50.0 109.495 177.207 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.6 91.68 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.182 -0.324 . . . . 25.0 110.577 179.011 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.53 86.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.428 179.919 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.95 -47.08 86.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.468 0.651 . . . . 50.0 109.427 179.738 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.64 -41.61 81.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.546 -0.752 . . . . 50.0 112.348 -179.494 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.72 -37.17 56.5 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.232 -0.987 . . . . 50.0 112.858 178.355 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.4 mtm -64.49 -37.84 88.94 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 118.505 0.593 . . . . 50.0 110.535 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 89.8 m -53.85 -32.38 52.79 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 121.221 0.534 . . . . 25.0 111.345 179.803 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -68.23 -43.99 76.69 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.446 -0.784 . . . . 50.0 111.29 -178.836 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -72.15 -32.83 67.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.061 -0.718 . . . . 50.0 109.061 179.683 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.11 -40.66 88.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.506 -0.77 . . . . 50.0 109.976 176.256 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 53.2 mt . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 111.996 0.369 . . . . 50.0 111.996 178.662 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -35.75 79.2 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.001 -0.437 . . . . 50.0 109.941 179.168 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.35 -31.37 72.51 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.257 -0.902 . . . . 50.0 110.411 176.477 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.64 79.21 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 108.295 -1.922 . . . . 50.0 108.295 175.174 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.47 -40.09 74.3 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 120.736 0.303 . . . . 25.0 111.138 178.121 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -66.03 -41.59 90.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.408 0.623 . . . . 50.0 110.643 178.634 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.09 83.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 25.0 110.64 -178.717 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.4 m -71.22 -27.64 30.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 C-N-CA 120.605 -0.438 . . . . 50.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.24 69.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.297 0.499 . . . . 25.0 110.374 179.45 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.19 83.07 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 176.718 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -75.99 -35.81 59.45 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.714 -0.221 . . . . 25.0 110.782 176.944 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -67.76 -46.32 72.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.911 -0.493 . . . . 50.0 111.822 -179.482 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -63.25 -27.6 69.45 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.165 -0.68 . . . . 50.0 109.165 178.316 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -51.93 16.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.777 177.39 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.12 -38.46 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 118.669 0.668 . . . . 50.0 109.412 -176.044 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -65.51 -34.87 79.28 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.517 -0.31 . . . . 25.0 110.221 178.125 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.76 86.99 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.664 -179.433 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.44 -36.26 60.13 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.563 0 N-CA-C 109.899 -0.408 . . . . 50.0 109.899 -179.444 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.32 -35.65 72.2 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -179.654 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.4 mt -70.32 -40.35 74.21 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 121.357 0.598 . . . . 50.0 109.451 178.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 35.7 mtm -63.72 -23.74 67.49 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.399 -0.52 . . . . 50.0 112.074 179.089 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 81.3 p -82.82 -35.37 26.44 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.642 -0.823 . . . . 25.0 110.664 -178.757 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -78.08 -29.76 49.27 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 120.375 -0.53 . . . . 50.0 110.323 177.099 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.451 -0.402 0 O-C-N 121.931 -0.481 . . . . 50.0 111.888 178.013 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--O 1.217 -0.638 0 N-CA-C 108.935 -0.765 . . . . 50.0 108.935 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.53 -36.15 69.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 178.668 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.4 m -67.92 -39.82 83.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.335 -0.393 . . . . 50.0 110.369 179.354 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -71.0 -33.1 70.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.531 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 3.0 mtm -64.19 -35.8 81.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.947 -0.39 . . . . 50.0 109.947 178.278 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.23 72.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.935 0.398 . . . . 25.0 109.994 179.301 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.23 -37.5 75.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 177.427 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.29 -45.6 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 108.281 -1.007 . . . . 50.0 108.281 177.178 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.83 -43.37 85.78 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 110.247 -0.279 . . . . 50.0 110.247 179.392 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.55 89.73 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.269 -0.269 . . . . 25.0 111.078 179.499 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.03 -41.96 90.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.833 0.349 . . . . 25.0 110.786 179.665 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . 0.442 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 49.5 mt-10 -67.11 -42.96 83.66 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 122.421 1.105 . . . . 50.0 109.994 179.312 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 28.5 mt -58.06 -46.92 84.6 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.35 -1.296 . . . . 50.0 110.32 -179.651 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -73.74 -34.46 64.76 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 113.509 0.929 . . . . 50.0 113.509 179.323 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 433' ' ' MET . . . . . 0.442 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 20.5 ptp -66.44 -32.27 73.54 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 118.829 0.74 . . . . 50.0 110.216 -179.594 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 31.3 m -66.98 -33.98 76.76 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.357 -0.537 . . . . 25.0 109.571 -179.185 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -67.93 -41.07 83.16 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.063 -1.088 . . . . 50.0 108.063 178.387 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -61.0 -45.03 96.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 50.0 111.874 -178.442 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.11 -36.32 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 113.081 0.771 . . . . 50.0 113.081 -178.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 112.168 0.433 . . . . 50.0 112.168 179.41 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.372 0 N-CA-C 109.716 -0.476 . . . . 25.0 109.716 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -37.42 86.47 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 122.26 -0.275 . . . . 50.0 110.412 179.703 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -60.24 -36.78 78.54 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.4 -0.812 . . . . 50.0 110.419 176.464 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.29 -44.86 73.09 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 109.076 -1.61 . . . . 50.0 109.076 176.028 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.43 -40.03 64.84 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 123.062 0.545 . . . . 25.0 111.848 -179.472 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -65.4 -43.86 89.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.09 0.471 . . . . 50.0 111.5 179.558 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.82 73.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.194 0.521 . . . . 25.0 110.643 -177.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.21 -26.49 29.53 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 CA-C-N 116.312 -0.404 . . . . 50.0 110.795 -178.971 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.7 65.68 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.432 0.56 . . . . 25.0 111.224 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.76 86.97 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.644 -0.502 . . . . 25.0 109.644 177.569 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -34.01 66.92 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 116.696 -0.229 . . . . 25.0 110.81 177.149 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.436 ' HA ' HG11 ' A' ' 476' ' ' VAL . 53.0 mm-40 -69.43 -46.51 66.63 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.271 0.471 . . . . 50.0 112.271 -179.558 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -63.11 -26.53 68.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.21 -0.663 . . . . 50.0 109.21 178.366 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.23 -52.25 11.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.445 -0.798 . . . . 50.0 111.661 176.621 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.436 HG11 ' HA ' ' A' ' 473' ' ' GLN . 14.4 p -62.54 -36.01 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 118.86 0.755 . . . . 50.0 110.119 -175.748 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -62.26 -35.5 79.16 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.168 178.458 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.04 97.74 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.678 -0.409 . . . . 25.0 110.091 -179.843 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.2 -34.11 53.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.28 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.591 0.71 . . . . 25.0 109.452 179.477 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.6 mt -78.99 -43.19 24.93 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 109.521 -0.548 . . . . 50.0 109.521 176.627 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.4 mtm -61.81 -27.21 68.6 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 116.488 -0.324 . . . . 50.0 111.606 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 32.6 p -78.69 -35.49 44.99 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.655 -0.818 . . . . 25.0 110.394 -176.811 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -79.77 -30.44 40.69 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.275 -0.57 . . . . 50.0 110.277 176.386 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 108.51 -0.922 . . . . 50.0 108.51 175.791 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--O 1.214 -0.773 0 N-CA-C 109.833 -0.432 . . . . 50.0 109.833 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.04 -35.3 63.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.079 0.466 . . . . 50.0 109.936 178.948 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.5 m -67.84 -38.38 83.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.423 -0.584 . . . . 50.0 109.423 178.873 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -72.76 -29.6 63.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.562 . . . . 25.0 110.276 178.909 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 48.4 ttm -59.62 -35.64 74.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.598 0.359 . . . . 50.0 111.369 -179.339 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.68 72.3 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.129 0.49 . . . . 25.0 110.792 178.435 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -74.64 -34.97 62.86 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.778 -0.452 . . . . 25.0 109.778 178.64 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.68 -42.05 91.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.328 -0.619 . . . . 50.0 109.328 178.48 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.82 -44.44 90.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.042 0.449 . . . . 50.0 110.062 178.31 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.19 90.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.851 0.358 . . . . 25.0 110.566 179.177 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.41 94.77 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.525 179.864 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.35 -44.74 96.66 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 121.718 0.771 . . . . 50.0 109.906 179.406 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.96 -46.63 82.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.208 -0.906 . . . . 50.0 111.647 179.528 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.08 -34.46 64.0 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.012 0.824 . . . . 50.0 113.014 177.386 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 63.0 mtm -65.4 -35.93 82.44 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 121.681 -0.637 . . . . 50.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 92.9 m -53.5 -34.05 56.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.333 0.587 . . . . 25.0 110.841 178.941 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -67.93 -42.34 81.18 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.839 -0.538 . . . . 50.0 110.105 -178.255 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -71.13 -37.76 72.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.694 -0.854 . . . . 50.0 108.694 -179.826 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.94 -36.96 75.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.79 -1.095 . . . . 50.0 111.848 -179.748 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 50.3 mt . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 112.144 0.424 . . . . 50.0 112.144 179.143 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -35.78 82.2 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.808 -0.442 . . . . 50.0 109.808 179.571 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -60.5 -37.23 80.41 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.769 -0.582 . . . . 50.0 109.579 178.469 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.27 -47.12 46.0 Favored Glycine 0 C--O 1.22 -0.774 0 N-CA-C 109.557 -1.417 . . . . 50.0 109.557 176.559 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.49 63.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -179.631 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -68.76 -43.53 75.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.221 0.534 . . . . 50.0 110.897 178.831 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.53 -44.15 83.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.047 0.451 . . . . 25.0 110.655 -178.131 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.0 m -69.07 -31.4 50.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 120.863 -0.335 . . . . 50.0 110.198 -179.754 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.87 -33.85 67.24 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.211 0.459 . . . . 25.0 111.346 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.6 88.07 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 177.53 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -36.85 67.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.51 0.195 . . . . 25.0 110.624 176.589 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.409 ' HA ' HG13 ' A' ' 476' ' ' VAL . 39.4 mm-40 -65.68 -45.66 82.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.952 0.406 . . . . 50.0 111.847 -179.155 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.45 -27.1 68.75 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.801 -0.562 . . . . 50.0 109.492 178.79 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -51.16 17.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.881 -0.599 . . . . 50.0 110.805 177.428 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.409 HG13 ' HA ' ' A' ' 473' ' ' GLN . 10.8 p -63.03 -36.31 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 118.836 0.743 . . . . 50.0 109.485 -176.15 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -62.49 -36.43 82.49 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.723 -0.671 . . . . 25.0 110.155 178.376 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.4 89.7 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.773 -0.371 . . . . 25.0 110.351 -179.4 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.51 -35.24 60.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 C-N-CA 120.543 -0.463 . . . . 50.0 109.898 -178.874 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.16 -27.82 66.01 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.412 0.625 . . . . 25.0 109.782 179.671 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -78.43 -43.12 28.08 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.259 0.552 . . . . 50.0 110.096 176.486 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.0 mtm -60.8 -26.94 67.66 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.911 -179.055 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.8 p -77.85 -37.67 47.79 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 118.841 -1.144 . . . . 25.0 109.848 -176.145 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -81.65 -23.83 36.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.758 -0.377 . . . . 50.0 111.338 178.625 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.45 -0.458 0 O-C-N 121.767 -0.583 . . . . 50.0 110.061 176.097 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.214 -0.764 0 N-CA-C 112.07 0.396 . . . . 50.0 112.07 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.14 -35.34 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.138 -1.06 . . . . 50.0 108.138 177.829 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 40.4 m -70.42 -37.56 74.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.047 -0.723 . . . . 50.0 109.047 177.649 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.39 -34.78 77.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 178.814 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.59 -38.26 86.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.269 -0.423 . . . . 50.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.35 75.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.991 0.425 . . . . 25.0 110.064 179.498 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.41 75.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 178.314 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.95 -45.43 91.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.093 -0.706 . . . . 50.0 109.093 178.123 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.31 -44.21 95.65 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.039 -0.356 . . . . 50.0 110.039 179.332 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.87 97.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.786 -0.188 . . . . 25.0 110.748 179.444 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.69 98.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.688 -0.233 . . . . 25.0 110.945 -179.666 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.32 -41.58 89.45 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.749 0.785 . . . . 50.0 110.069 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 52.6 mt -62.58 -45.23 93.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.863 -0.608 . . . . 50.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.92 -32.71 59.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.545 0.943 . . . . 50.0 113.545 -179.853 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 16.4 ptp -65.08 -35.11 80.12 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 118.725 0.693 . . . . 50.0 110.372 -177.893 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 26.3 m -66.62 -35.59 80.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.359 0.6 . . . . 25.0 109.835 -178.769 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -69.57 -39.05 77.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.64 -0.874 . . . . 50.0 108.64 178.18 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -63.56 -41.43 98.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.981 -1.009 . . . . 50.0 113.19 -179.4 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 24.5 m -73.97 -33.39 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 113.115 0.783 . . . . 50.0 113.115 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.324 -0.532 0 N-CA-C 111.52 0.193 . . . . 50.0 111.52 179.366 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.405 0 CA-C-O 120.264 0.078 . . . . 25.0 110.984 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -33.46 75.74 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 122.079 -0.388 . . . . 50.0 110.092 -179.833 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -62.98 -34.34 77.33 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.322 -0.551 . . . . 50.0 110.12 178.062 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.12 -45.27 62.75 Favored Glycine 0 C--O 1.221 -0.7 0 N-CA-C 108.422 -1.871 . . . . 50.0 108.422 175.814 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.98 67.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.398 0.279 . . . . 25.0 111.646 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.43 -46.06 84.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.135 0.493 . . . . 50.0 111.072 178.425 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.67 -44.69 81.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.34 -0.391 . . . . 25.0 110.994 -177.819 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.1 m -69.47 -28.47 38.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.902 0 C-N-CA 120.658 -0.417 . . . . 50.0 110.63 -178.885 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.7 68.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.487 0.585 . . . . 25.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.49 87.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 177.742 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -35.88 67.58 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.705 -0.225 . . . . 25.0 110.777 177.337 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.401 ' HA ' HG13 ' A' ' 476' ' ' VAL . 53.5 mm-40 -66.75 -46.54 75.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.933 -0.479 . . . . 50.0 111.781 -179.912 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -64.73 -27.15 68.71 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.096 -0.641 . . . . 50.0 109.517 178.737 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -51.57 20.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.719 -0.673 . . . . 50.0 110.997 176.552 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.401 HG13 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -62.75 -35.04 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 118.855 0.752 . . . . 50.0 109.808 -176.327 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -62.42 -34.98 77.82 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.664 178.096 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.39 98.78 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.843 -0.343 . . . . 25.0 110.31 179.195 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.91 -34.66 56.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 N-CA-C 109.623 -0.51 . . . . 50.0 109.623 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.99 64.1 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.521 0.677 . . . . 25.0 110.053 179.394 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.49 -42.96 33.8 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 121.317 0.579 . . . . 50.0 109.658 176.001 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.6 mtm -62.1 -28.09 69.38 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.129 -0.357 . . . . 50.0 110.991 -179.549 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.9 p -78.7 -15.27 58.68 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.233 -0.587 . . . . 25.0 112.214 -176.426 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -107.69 -26.41 10.85 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.686 0.254 . . . . 50.0 111.686 176.481 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 . . . . . 0 N--CA 1.449 -0.479 0 O-C-N 121.812 -0.555 . . . . 50.0 112.116 177.349 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.086 0.469 . . . . 50.0 110.88 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.73 -30.86 49.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 N-CA-C 109.576 -0.527 . . . . 50.0 109.576 -177.746 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.9 m -66.0 -39.44 90.3 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.954 -0.466 . . . . 50.0 110.433 178.649 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -72.84 -37.39 67.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.699 0.761 . . . . 25.0 109.248 179.4 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 30.3 ttm -63.21 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.732 -0.667 . . . . 50.0 109.384 -178.733 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.97 74.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.555 . . . . 25.0 109.878 178.815 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.42 75.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 178.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.52 -45.79 91.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.292 0.567 . . . . 50.0 109.514 178.047 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.65 -42.24 96.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.823 -0.436 . . . . 50.0 109.823 179.019 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.33 87.05 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.163 -0.31 . . . . 25.0 110.163 178.59 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.26 92.79 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.966 0.412 . . . . 25.0 110.098 179.612 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -64.12 -44.49 92.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.48 0.657 . . . . 50.0 109.302 179.438 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.77 -42.7 99.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.76 -0.655 . . . . 50.0 111.613 -179.878 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -73.72 -32.04 63.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 119.155 -1.018 . . . . 50.0 112.389 -178.625 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 61.8 mtm -69.11 -35.47 76.46 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.017 0.371 . . . . 50.0 110.381 176.794 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.4 m -54.17 -30.12 48.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.56 0.695 . . . . 25.0 110.706 178.542 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -63.58 -41.66 98.35 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.9 -0.5 . . . . 50.0 111.889 -179.275 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -74.64 -37.29 62.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.311 0.577 . . . . 50.0 109.57 178.465 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.38 -40.48 81.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.306 -0.861 . . . . 50.0 110.636 178.805 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 112.961 0.726 . . . . 50.0 112.961 178.675 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 110.24 -0.282 . . . . 25.0 110.24 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -37.22 86.9 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 120.998 -0.281 . . . . 50.0 110.435 -179.831 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -63.69 -32.27 73.71 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.866 -0.521 . . . . 50.0 110.967 178.155 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -64.63 -46.58 89.6 Favored Glycine 0 C--O 1.219 -0.84 0 N-CA-C 107.703 -2.159 . . . . 50.0 107.703 175.741 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.84 71.11 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 120.693 0.283 . . . . 25.0 111.679 178.677 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -66.63 -43.53 84.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.294 0.569 . . . . 50.0 110.989 178.44 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.33 83.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.257 -0.429 . . . . 25.0 110.672 -178.505 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.85 -27.1 31.86 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 CA-C-O 119.049 -0.5 . . . . 50.0 110.531 -179.656 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.79 74.26 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.732 0.696 . . . . 25.0 110.396 179.449 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.44 87.25 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 178.186 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.8 -32.09 65.3 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.033 -0.53 . . . . 25.0 110.809 178.019 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -69.9 -44.68 69.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.195 -0.316 . . . . 50.0 110.936 -179.666 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -65.99 -27.41 68.12 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.041 -0.664 . . . . 50.0 109.804 177.547 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -50.6 31.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.144 -0.48 . . . . 50.0 110.459 176.956 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.86 -36.63 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.854 -0.738 . . . . 50.0 109.787 -178.521 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -63.94 -35.31 80.25 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.69 177.156 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.61 94.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.928 -0.482 . . . . 25.0 110.592 179.487 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.96 -34.97 52.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 -179.49 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.56 -25.59 64.67 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.594 0.711 . . . . 25.0 109.943 178.479 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.2 mt -78.08 -41.19 36.13 Favored 'General case' 0 C--O 1.21 -1.005 0 O-C-N 121.734 -0.604 . . . . 50.0 109.538 176.244 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.0 mtm -63.81 -30.04 71.17 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.413 -0.515 . . . . 50.0 111.069 -179.836 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 44.4 p -75.72 -36.94 59.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.113 -0.635 . . . . 25.0 110.412 -177.465 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -79.82 -26.55 40.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.193 -0.603 . . . . 50.0 111.388 176.852 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.329 -0.285 0 O-C-N 121.68 -0.638 . . . . 50.0 110.789 176.449 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 . . . . . 0 C--O 1.213 -0.854 0 N-CA-C 110.118 -0.327 . . . . 50.0 110.118 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.22 -33.87 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.767 -0.457 . . . . 50.0 109.767 175.284 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 40.3 m -69.4 -38.59 78.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.664 -0.647 . . . . 50.0 110.289 179.035 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -71.91 -33.2 68.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.004 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.8 mtp -61.96 -44.85 95.9 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.881 -0.785 . . . . 50.0 108.881 178.587 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.54 -35.77 80.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.122 0.487 . . . . 25.0 110.562 -177.534 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.08 62.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.115 -0.493 . . . . 25.0 111.528 -179.868 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.5 p -70.97 -36.2 62.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 121.02 -0.272 . . . . 50.0 111.155 -177.333 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -59.46 -47.27 86.14 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 177.095 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.1 94.62 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.054 -0.404 . . . . 25.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.72 75.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.083 -0.508 . . . . 25.0 111.738 -179.3 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.38 -31.17 68.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.434 -0.791 . . . . 50.0 110.301 -178.394 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 30.4 mt -62.68 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.577 -0.449 . . . . 50.0 110.145 178.255 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.67 -35.51 65.22 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.965 -0.694 . . . . 50.0 111.767 178.105 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 65.5 mtm -66.28 -32.3 73.63 Favored 'General case' 0 CA--C 1.514 -0.408 0 O-C-N 122.0 -0.437 . . . . 50.0 110.46 178.777 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.8 m -59.86 -36.8 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 176.905 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -66.98 -43.95 81.69 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.969 -1.123 . . . . 50.0 107.969 179.231 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.67 -45.08 95.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.547 0.573 . . . . 50.0 112.547 -177.702 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.64 -39.75 78.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.127 0.418 . . . . 50.0 112.127 -178.642 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 122.146 -0.346 . . . . 50.0 111.267 179.463 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -36.69 79.76 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.507 -0.477 . . . . 50.0 110.44 -178.704 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -65.9 -29.21 69.6 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.389 -0.924 . . . . 50.0 110.627 179.83 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.79 -44.04 40.02 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 107.878 -2.089 . . . . 50.0 107.878 174.444 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.35 64.62 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 122.756 0.423 . . . . 25.0 111.759 179.689 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -66.63 -41.9 87.59 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.059 0.392 . . . . 50.0 112.059 178.482 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.84 -46.44 68.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 25.0 110.355 -178.176 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -65.69 -30.72 50.99 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.592 -0.521 . . . . 50.0 109.592 179.775 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.27 -27.42 55.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 179.88 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.14 93.32 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 176.843 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.86 65.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.91 0.386 . . . . 25.0 110.577 175.829 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.437 ' HA ' HG13 ' A' ' 476' ' ' VAL . 61.9 mm-40 -72.12 -45.78 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.464 0.649 . . . . 50.0 111.788 -176.378 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -63.64 -27.96 69.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.616 -0.883 . . . . 50.0 108.616 178.006 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.51 -52.86 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.069 -0.514 . . . . 50.0 110.56 177.414 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.437 HG13 ' HA ' ' A' ' 473' ' ' GLN . 10.9 p -62.1 -35.72 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 121.442 0.639 . . . . 50.0 109.588 -176.53 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -62.71 -37.06 85.03 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.804 -0.634 . . . . 25.0 110.657 178.216 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.64 91.12 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.897 -0.321 . . . . 25.0 110.358 -179.658 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.45 -34.19 47.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 C-N-CA 120.428 -0.509 . . . . 50.0 109.865 -179.87 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.54 -27.2 67.46 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.387 0.613 . . . . 25.0 109.941 -179.922 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.33 -41.55 48.01 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.852 -0.796 . . . . 50.0 108.852 177.368 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.2 mtm -63.84 -27.41 69.15 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.801 -0.636 . . . . 50.0 111.932 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.1 p -82.31 -34.35 28.65 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.519 -0.872 . . . . 25.0 109.903 -176.448 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -78.88 -26.47 43.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.141 -0.624 . . . . 50.0 110.432 177.096 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.45 -0.447 0 O-C-N 121.831 -0.543 . . . . 50.0 111.744 176.21 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 . . . . . 0 C--O 1.213 -0.864 0 N-CA-C 112.042 0.386 . . . . 50.0 112.042 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.62 -38.2 75.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 121.966 -0.459 . . . . 50.0 109.84 -179.313 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 90.8 p -74.45 -33.6 62.96 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.89 -0.506 . . . . 50.0 111.402 -179.159 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -69.96 -33.98 72.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.445 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 56.4 ttp -71.42 -34.44 70.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.676 . . . . 50.0 109.818 -178.911 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.69 73.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 178.051 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.2 80.35 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 177.381 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.08 -44.42 91.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 N-CA-C 108.937 -0.764 . . . . 50.0 108.937 177.828 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -58.29 -43.77 88.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.935 0.398 . . . . 50.0 110.197 179.017 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.6 91.62 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.775 0.321 . . . . 25.0 110.906 179.06 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.15 86.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.461 -0.336 . . . . 25.0 110.637 179.413 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.27 -42.18 99.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.32 0.581 . . . . 50.0 109.452 179.462 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 46.8 mt -60.19 -44.17 95.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.911 -0.586 . . . . 50.0 111.196 179.426 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -74.26 -34.57 63.64 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.331 -0.948 . . . . 50.0 113.018 178.644 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.0 mtm -62.62 -37.58 86.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.95 -0.759 . . . . 50.0 108.95 178.151 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 54.9 m -59.97 -38.79 83.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.762 0.315 . . . . 25.0 110.719 177.944 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -64.75 -48.32 74.99 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.423 -0.955 . . . . 50.0 108.423 179.394 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -46.22 89.14 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.741 -1.118 . . . . 50.0 113.016 -177.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 30.7 m -67.47 -35.65 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 120.53 -0.468 . . . . 50.0 112.177 -179.546 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 70.3 mt . . . . . 0 C--N 1.323 -0.561 0 O-C-N 122.17 -0.331 . . . . 50.0 111.11 178.134 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 110.314 -0.254 . . . . 25.0 110.314 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -33.67 74.31 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 122.004 -0.435 . . . . 50.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -60.75 -35.8 77.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.682 -0.636 . . . . 50.0 109.735 176.11 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.06 -43.66 71.22 Favored Glycine 0 C--O 1.223 -0.584 0 N-CA-C 108.973 -1.651 . . . . 50.0 108.973 175.465 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.34 -39.3 66.97 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 122.681 0.392 . . . . 25.0 111.622 179.706 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -65.2 -44.19 89.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.02 0.438 . . . . 50.0 111.392 178.479 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.77 80.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.232 0.539 . . . . 25.0 110.664 -178.209 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.97 -26.61 30.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.797 0 CA-C-N 116.496 -0.32 . . . . 50.0 110.78 -179.163 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.63 -33.95 66.8 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.137 0.426 . . . . 25.0 111.319 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.14 89.97 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 177.576 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.59 -32.18 65.78 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.703 -0.226 . . . . 25.0 110.771 176.895 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.431 ' HA ' HG13 ' A' ' 476' ' ' VAL . 53.0 mm-40 -71.33 -45.53 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.989 -0.445 . . . . 50.0 112.144 -178.525 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.36 -27.08 68.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.563 -0.903 . . . . 50.0 108.563 178.243 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.27 -52.76 9.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.461 -0.79 . . . . 50.0 111.572 178.122 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.431 HG13 ' HA ' ' A' ' 473' ' ' GLN . 13.4 p -62.95 -37.06 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 118.57 0.623 . . . . 50.0 110.157 -175.406 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -63.23 -35.85 81.71 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.139 178.465 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.32 -44.74 96.69 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.407 -0.517 . . . . 25.0 109.937 -179.065 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.48 -35.29 61.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 C-N-CA 120.637 -0.425 . . . . 50.0 110.001 -179.068 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.08 62.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.365 0.602 . . . . 25.0 109.601 179.484 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.39 -43.31 19.18 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 121.091 0.472 . . . . 50.0 109.773 177.298 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.3 mtm -60.72 -28.97 69.06 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.935 0.398 . . . . 50.0 111.501 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 25.4 p -77.64 -17.15 58.03 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.231 -0.587 . . . . 25.0 112.266 -175.404 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -103.98 -33.7 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.539 -0.301 . . . . 50.0 110.319 175.999 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.328 -0.356 0 O-C-N 121.814 -0.554 . . . . 50.0 110.162 177.85 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--O 1.213 -0.853 0 N-CA-C 109.899 -0.408 . . . . 50.0 109.899 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.86 -33.19 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.033 -0.729 . . . . 50.0 109.033 178.902 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.3 m -70.66 -37.87 73.74 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.386 -0.598 . . . . 50.0 109.386 177.18 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -68.01 -33.86 75.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.416 -0.586 . . . . 25.0 109.416 178.471 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 40.8 ttm -61.12 -42.92 99.42 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.725 -0.671 . . . . 50.0 109.942 179.25 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.02 77.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.341 0.591 . . . . 25.0 110.521 -178.537 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.31 -46.75 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.063 -0.517 . . . . 25.0 111.154 -179.213 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.4 p -71.01 -36.09 61.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 CA-C-N 116.52 -0.309 . . . . 50.0 111.241 -177.188 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -54.82 -43.28 72.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.901 0.382 . . . . 50.0 111.117 177.888 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.22 90.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.029 0.442 . . . . 25.0 110.607 179.354 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.33 -41.21 73.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.573 179.42 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -60.27 -40.47 90.48 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.267 0.556 . . . . 50.0 109.808 -179.5 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.23 -47.12 87.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.936 -0.575 . . . . 50.0 111.257 179.951 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.74 -32.2 63.74 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.258 -0.977 . . . . 50.0 112.572 178.983 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 72.3 mtm -66.62 -37.69 85.38 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.962 -0.461 . . . . 50.0 109.808 178.408 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 79.0 m -58.03 -37.52 74.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.259 0.552 . . . . 25.0 110.554 178.281 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -65.58 -45.46 83.17 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.952 0.882 . . . . 50.0 109.089 178.59 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -65.19 -43.19 92.42 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.679 1.363 . . . . 50.0 114.679 -178.032 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 16.1 m -67.35 -28.31 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 112.743 0.646 . . . . 50.0 112.743 -178.438 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 116.011 -0.541 . . . . 50.0 111.98 177.46 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.191 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -35.74 81.99 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 120.746 -0.381 . . . . 50.0 111.648 -177.304 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.17 -27.86 65.9 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.874 -0.73 . . . . 50.0 110.503 178.106 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.15 -40.81 61.15 Favored Glycine 0 C--O 1.221 -0.709 0 N-CA-C 108.112 -1.995 . . . . 50.0 108.112 174.302 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.87 -31.87 51.24 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.207 0.527 . . . . 25.0 111.747 178.34 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -76.36 -38.46 55.78 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.872 -0.518 . . . . 50.0 111.295 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.48 75.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -178.872 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.1 m -67.43 -31.53 53.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.709 -0.478 . . . . 50.0 109.709 179.573 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.19 -28.46 64.82 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 122.071 -0.393 . . . . 25.0 111.679 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.07 88.94 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 177.04 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.64 -39.16 67.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.087 -0.338 . . . . 25.0 110.087 176.404 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . 0.411 ' HA ' HG11 ' A' ' 476' ' ' VAL . 35.3 mm-40 -64.15 -45.97 86.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.403 0.52 . . . . 50.0 112.403 -179.314 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.79 -27.17 68.71 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.476 -0.765 . . . . 50.0 109.756 178.888 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -51.57 17.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.904 -0.589 . . . . 50.0 110.379 177.39 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . 0.411 HG11 ' HA ' ' A' ' 473' ' ' GLN . 10.3 p -62.67 -36.62 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 118.832 0.742 . . . . 50.0 109.181 -176.41 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -62.46 -36.52 82.72 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.704 -0.68 . . . . 25.0 110.09 178.706 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.82 91.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.504 -179.65 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.2 -33.25 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.446 -0.502 . . . . 50.0 109.894 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.71 67.76 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 179.134 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.37 -44.16 37.55 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.389 0.614 . . . . 50.0 109.958 177.448 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.8 mtm -62.21 -26.58 68.44 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 116.136 -0.484 . . . . 50.0 111.681 -179.388 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 21.6 p -81.96 -34.3 29.82 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 119.217 -0.993 . . . . 25.0 109.813 -176.198 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -78.55 -31.89 47.64 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.906 -0.718 . . . . 50.0 110.246 176.665 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 108.912 -0.773 . . . . 50.0 108.912 176.542 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 . . . . . 0 C--O 1.215 -0.728 0 N-CA-C 112.465 0.542 . . . . 50.0 112.465 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 88.5 t -62.75 -27.59 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 109.04 -0.726 . . . . 50.0 109.04 179.205 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 5.8 m -66.92 -41.63 86.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.175 0.512 . . . . 50.0 111.431 177.903 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.77 -31.07 59.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.695 0.76 . . . . 25.0 108.985 -179.042 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.2 mtp -60.3 -45.4 93.5 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.34 -0.845 . . . . 50.0 109.203 177.806 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.98 74.29 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.977 0.418 . . . . 25.0 111.11 -179.029 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.21 -47.4 61.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.801 0.334 . . . . 25.0 111.16 -179.621 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.85 -34.2 55.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-O 120.756 0.312 . . . . 50.0 110.793 -178.886 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -59.21 -43.8 92.26 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.391 -0.596 . . . . 50.0 109.391 175.729 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.38 84.14 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.831 0.348 . . . . 25.0 110.419 178.55 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.03 -42.61 84.59 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 116.454 -0.339 . . . . 25.0 110.465 178.798 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.53 -41.11 98.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.701 0.762 . . . . 50.0 109.874 179.401 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.06 -40.7 94.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.512 -0.767 . . . . 50.0 110.493 178.568 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -33.66 64.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 119.657 -0.817 . . . . 50.0 110.446 178.393 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.4 tpp -63.27 -30.25 71.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 50.0 110.81 179.454 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 59.1 m -52.94 -37.34 60.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.935 -0.575 . . . . 25.0 112.41 -179.037 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 28.2 ptt-85 -65.67 -33.14 75.21 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.185 -0.947 . . . . 50.0 111.354 -178.451 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.74 -48.19 22.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.595 0.961 . . . . 50.0 113.595 -178.734 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.8 m -63.29 -29.52 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 115.268 1.581 . . . . 50.0 115.268 -174.595 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 113.423 0.897 . . . . 50.0 113.423 179.416 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -35.47 80.53 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 111.901 0.334 . . . . 50.0 111.901 -175.33 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -60.59 -27.75 67.97 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.831 -0.747 . . . . 50.0 111.518 179.146 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -84.1 -40.92 8.31 Favored Glycine 0 C--O 1.219 -0.783 0 N-CA-C 108.677 -1.769 . . . . 50.0 108.677 174.76 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.1 68.99 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 -179.107 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -64.71 -44.67 89.47 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.211 0.529 . . . . 50.0 111.371 178.605 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.45 83.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.476 -177.854 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.6 m -70.95 -31.28 44.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 C-N-CA 120.378 -0.529 . . . . 50.0 110.408 -179.51 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.55 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.372 0.533 . . . . 25.0 110.885 -179.074 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.64 84.42 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 177.782 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.71 -34.27 67.0 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.557 0.218 . . . . 25.0 111.287 177.872 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -69.44 -42.59 74.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.14 0.495 . . . . 50.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -72.12 -26.17 62.02 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.268 -0.895 . . . . 50.0 109.903 177.519 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -49.8 66.93 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 175.675 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.29 -35.31 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.201 -0.666 . . . . 50.0 109.201 -177.144 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -61.47 -38.38 87.02 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.419 -0.81 . . . . 25.0 109.97 177.689 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.11 93.14 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.14 -0.35 . . . . 25.0 111.062 -179.324 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.3 mp -71.92 -34.05 49.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 120.386 -0.526 . . . . 50.0 109.64 -179.208 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.77 -29.46 66.81 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.524 0.678 . . . . 25.0 109.421 179.644 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.47 -43.26 40.64 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.659 0.742 . . . . 50.0 109.42 177.349 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.5 mtm -62.76 -25.18 68.08 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 116.057 -0.52 . . . . 50.0 112.112 -179.411 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 29.5 p -82.65 -34.16 27.55 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.828 -0.749 . . . . 25.0 110.255 -177.095 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -80.13 -29.52 38.92 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.112 -0.635 . . . . 50.0 110.672 176.404 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.438 -1.026 0 O-C-N 121.618 -0.676 . . . . 50.0 110.607 177.017 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.759 0 CA-C-O 124.608 2.226 . . . . 25.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 99.8 p -78.31 -6.23 54.44 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 112.758 -1.721 . . . . 25.0 111.68 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 62.09 45.21 7.32 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.836 0.854 . . . . 50.0 109.531 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 3.5 t 77.82 -162.89 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.478 1.511 . . . . 25.0 109.876 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -81.79 158.87 23.96 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.411 -0.589 . . . . 50.0 109.411 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.6 m -88.5 146.17 25.33 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.254 -1.387 . . . . 50.0 107.254 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.85 -21.76 63.33 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.411 -0.813 . . . . 50.0 110.906 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.64 -32.3 67.42 Favored Glycine 0 C--O 1.22 -0.731 0 N-CA-C 111.003 -0.839 . . . . 50.0 111.003 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -68.76 -39.45 80.24 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.16 -1.052 . . . . 50.0 108.16 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 63.8 t -67.25 -33.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.111 0.482 . . . . 50.0 109.981 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 61.2 m -66.27 -39.51 89.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.857 -0.337 . . . . 50.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.65 -36.12 62.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.711 0.767 . . . . 25.0 109.056 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 61.3 ttp -63.04 -37.23 86.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.739 -0.664 . . . . 50.0 109.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.78 71.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.504 -0.316 . . . . 25.0 110.806 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.69 78.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.01 -43.55 92.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.388 -0.597 . . . . 50.0 109.388 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.73 -45.76 85.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.353 . . . . 50.0 110.147 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.44 93.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.693 0.282 . . . . 25.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.19 84.39 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.537 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.85 -42.51 99.78 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.635 0.731 . . . . 50.0 110.328 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.27 -43.05 82.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.381 -0.827 . . . . 50.0 111.082 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -76.15 -32.14 58.94 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.454 -0.898 . . . . 50.0 113.274 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.7 tpp -62.88 -35.11 78.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.045 0.45 . . . . 50.0 110.018 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 73.8 m -57.15 -35.36 69.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.365 0.602 . . . . 25.0 110.169 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -67.02 -42.69 84.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.879 -0.786 . . . . 50.0 108.879 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.36 -44.97 93.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.55 -0.75 . . . . 50.0 111.378 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 21.8 m -69.08 -33.68 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.316 0.487 . . . . 50.0 112.316 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.99 -38.95 86.94 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 122.295 -0.253 . . . . 50.0 110.6 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.24 -11.35 60.05 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.255 -0.278 . . . . 25.0 111.597 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -101.68 6.35 41.87 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -87.62 167.59 37.12 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 110.838 -0.905 . . . . 25.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 68.73 160.17 0.18 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 123.133 1.444 . . . . 25.0 111.446 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -132.5 158.41 42.18 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 113.67 -1.605 . . . . 50.0 108.643 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -82.13 12.08 4.61 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.571 0.952 . . . . 50.0 113.571 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.29 -34.38 76.04 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.35 -1.295 . . . . 50.0 110.005 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -116.2 27.72 9.06 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.445 -0.798 . . . . 50.0 109.94 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -113.62 46.53 1.28 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -173.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -67.4 141.05 95.44 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.916 -0.402 . . . . 50.0 109.916 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -77.01 161.84 32.49 Favored 'Trans proline' 0 C--N 1.346 0.423 0 CA-C-O 121.624 0.593 . . . . 50.0 112.516 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -155.92 -37.59 0.02 OUTLIER Glycine 0 C--O 1.228 -0.281 0 CA-C-N 115.686 -0.688 . . . . 25.0 114.65 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.28 125.44 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.924 0.392 . . . . 50.0 110.135 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 58.2 m -150.27 152.0 33.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -165.35 31.8 0.23 Allowed Glycine 0 C--O 1.223 -0.552 0 C-N-CA 120.685 -0.769 . . . . 25.0 113.611 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -140.47 130.23 24.42 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.365 -0.491 . . . . 25.0 110.09 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.7 m -86.06 122.9 30.73 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.031 -0.359 . . . . 50.0 110.031 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -61.85 129.17 39.69 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -105.75 -71.58 0.74 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.964 -0.562 . . . . 50.0 109.927 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -61.71 -27.91 69.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.331 0.586 . . . . 25.0 110.984 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.73 -33.78 79.24 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 115.566 -0.743 . . . . 25.0 111.956 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.59 -39.44 93.73 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 121.945 -0.738 . . . . 50.0 110.208 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -66.13 -35.29 80.09 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.507 -0.553 . . . . 50.0 109.507 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.99 -44.42 84.9 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -36.8 84.36 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 122.179 -0.325 . . . . 50.0 110.611 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -59.29 -34.74 72.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.48 -0.763 . . . . 50.0 111.08 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.65 -48.5 55.87 Favored Glycine 0 C--O 1.22 -0.742 0 N-CA-C 108.02 -2.032 . . . . 50.0 108.02 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.33 63.19 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -69.33 -41.78 76.19 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.061 -0.399 . . . . 50.0 111.7 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.37 79.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.325 0.583 . . . . 25.0 110.32 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -69.72 -26.46 30.67 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 CA-C-N 116.224 -0.443 . . . . 50.0 110.705 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.9 -30.56 61.79 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.63 91.69 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -36.47 67.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.424 ' HA ' HG13 ' A' ' 476' ' ' VAL . 72.4 mm-40 -65.82 -47.23 75.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.473 0.546 . . . . 50.0 112.473 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -62.67 -28.16 69.74 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.471 -0.492 . . . . 50.0 109.683 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -51.84 16.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.993 -0.549 . . . . 50.0 110.793 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 473' ' ' GLN . 14.2 p -63.23 -35.51 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 118.786 0.721 . . . . 50.0 109.596 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -62.1 -36.18 80.95 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.509 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.91 91.74 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.785 -0.366 . . . . 25.0 110.451 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.52 -32.9 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.473 -0.491 . . . . 50.0 109.817 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.12 67.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.35 0.595 . . . . 25.0 109.47 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.35 -42.96 43.08 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 121.42 0.629 . . . . 50.0 109.615 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -63.28 -26.89 68.99 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 116.386 -0.37 . . . . 50.0 111.874 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 20.0 p -83.79 -33.6 24.93 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.902 -0.719 . . . . 25.0 109.947 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.88 -25.78 43.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.048 -0.661 . . . . 50.0 110.204 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -81.16 -13.61 58.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.769 -0.582 . . . . 50.0 110.584 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 63.04 27.44 70.45 Favored Glycine 0 C--O 1.229 -0.204 0 N-CA-C 111.418 -0.673 . . . . 25.0 111.418 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 43.25 32.47 0.47 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.087 1.355 . . . . 50.0 113.999 -174.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -90.46 -179.42 5.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.11 -0.95 . . . . 25.0 108.678 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 147.42 -41.58 0.93 Allowed Glycine 0 C--O 1.223 -0.581 0 CA-C-O 121.941 0.745 . . . . 25.0 111.818 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.211 -0.958 0 CA-C-O 124.226 1.965 . . . . 25.0 111.757 178.223 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.117 0 CA-C-O 123.049 1.36 . . . . 25.0 112.91 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 2.6 m -73.96 40.11 0.12 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.92 1.822 . . . . 25.0 115.92 -176.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 50.43 56.71 7.52 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.193 0.597 . . . . 50.0 111.862 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -37.54 75.65 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 116.358 1.985 . . . . 25.0 116.358 -176.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -162.44 133.46 5.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.929 1.085 . . . . 50.0 113.929 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 19.3 m -141.15 123.23 15.55 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 106.634 -1.617 . . . . 50.0 106.634 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.47 -39.39 87.44 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 114.752 1.39 . . . . 50.0 114.752 -171.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -69.97 -45.15 58.55 Favored Glycine 0 C--O 1.218 -0.861 0 C-N-CA 120.031 -1.081 . . . . 50.0 111.05 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -62.95 -39.14 93.73 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 110.281 -0.266 . . . . 50.0 110.281 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.35 -34.71 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 122.226 -0.296 . . . . 50.0 110.392 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.1 m -67.8 -40.51 83.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.813 -0.554 . . . . 50.0 109.782 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -70.66 -32.23 69.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.9 mtp -63.52 -40.97 98.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.946 0.403 . . . . 50.0 110.724 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.35 -33.27 73.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.41 0.624 . . . . 25.0 109.969 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.33 -44.76 64.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.312 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.75 -31.54 51.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 C-N-CA 120.908 -0.317 . . . . 50.0 111.032 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -55.55 -44.25 76.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.731 -0.47 . . . . 50.0 109.731 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.43 81.46 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 122.202 -0.311 . . . . 25.0 110.925 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.52 93.02 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.673 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -60.65 -46.62 89.63 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.487 0.66 . . . . 50.0 109.433 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 56.7 mt -57.89 -44.66 86.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.444 -0.798 . . . . 50.0 112.046 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -74.76 -32.94 62.2 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 119.404 -0.919 . . . . 50.0 112.398 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 70.2 mtm -67.67 -33.86 75.77 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.491 0.587 . . . . 50.0 110.25 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 89.9 m -56.48 -36.99 69.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -65.4 -40.16 93.08 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 121.565 -0.709 . . . . 50.0 110.412 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -67.81 -44.32 77.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.18 -0.464 . . . . 50.0 111.735 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.78 -32.34 54.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 112.655 0.613 . . . . 50.0 112.655 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 77.8 mt -69.12 -19.85 64.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.578 0.228 . . . . 50.0 111.482 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -96.88 -6.57 35.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.707 0.289 . . . . 25.0 111.203 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -88.33 136.63 32.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -174.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -90.86 79.36 1.39 Allowed Glycine 0 C--O 1.23 -0.115 0 N-CA-C 110.197 -1.161 . . . . 25.0 110.197 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -143.7 174.61 10.64 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.784 -1.562 . . . . 25.0 106.784 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -83.05 158.05 22.64 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 107.208 -1.404 . . . . 50.0 107.208 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -126.97 46.57 2.48 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.976 -0.75 . . . . 50.0 108.976 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -72.1 -32.58 67.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.341 -0.985 . . . . 50.0 108.341 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -87.82 33.06 0.72 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.521 -0.763 . . . . 50.0 111.566 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -120.83 54.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.17 138.21 91.45 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.575 -0.739 . . . . 50.0 110.932 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -75.49 149.18 34.39 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 118.051 -0.833 . . . . 50.0 113.42 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -159.16 -160.96 10.76 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 108.714 -1.754 . . . . 25.0 108.714 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 12.9 p -79.85 147.0 6.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 106.236 -1.765 . . . . 50.0 106.236 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 33.3 t -146.96 147.07 30.36 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 87.55 154.7 27.29 Favored Glycine 0 C--O 1.226 -0.351 0 N-CA-C 111.28 -0.728 . . . . 25.0 111.28 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -66.6 -19.22 65.72 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.203 0.445 . . . . 25.0 112.203 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 43.4 t -143.19 115.73 8.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.081 0.467 . . . . 50.0 110.09 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -79.62 128.62 33.61 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -110.35 -67.23 1.01 Allowed 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.109 0.781 . . . . 50.0 113.109 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -60.27 -35.38 75.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.069 0.461 . . . . 25.0 111.167 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.56 -33.88 88.44 Favored Glycine 0 C--O 1.222 -0.637 0 C-N-CA 121.111 -0.566 . . . . 25.0 111.895 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -70.87 -41.16 71.74 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 117.698 0.749 . . . . 50.0 109.976 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -63.77 -38.22 90.28 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.88 -0.728 . . . . 50.0 109.289 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.92 74.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.471 -0.331 . . . . 25.0 110.823 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -37.54 87.52 Favored 'General case' 0 C--O 1.211 -0.935 0 C-N-CA 120.796 -0.362 . . . . 50.0 111.39 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.12 -36.56 73.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 118.93 0.786 . . . . 50.0 110.915 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.11 -49.06 42.92 Favored Glycine 0 C--O 1.219 -0.794 0 N-CA-C 108.689 -1.764 . . . . 50.0 108.689 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.26 67.2 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -71.04 -43.82 67.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.103 0.478 . . . . 50.0 110.603 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.33 95.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.12 -33.84 52.68 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.203 0 C-N-CA 120.035 -0.666 . . . . 50.0 109.729 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.34 75.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.06 0.845 . . . . 25.0 111.226 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.85 88.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.78 67.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.798 -0.183 . . . . 25.0 110.562 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -65.13 -46.47 80.86 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.015 -0.428 . . . . 50.0 111.789 -179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -64.67 -27.47 68.95 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.791 -0.568 . . . . 50.0 109.548 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -53.18 11.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.734 -0.666 . . . . 50.0 110.628 176.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 12.5 p -63.25 -36.04 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 118.58 0.627 . . . . 50.0 109.906 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -63.76 -33.63 76.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.525 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.13 99.48 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.652 -0.419 . . . . 25.0 109.996 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.73 -34.1 50.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 110.027 -0.36 . . . . 50.0 110.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.9 -26.93 64.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.486 0.66 . . . . 25.0 109.843 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.4 mt -78.24 -42.72 30.3 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 109.386 -0.598 . . . . 50.0 109.386 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.4 mtm -62.53 -26.06 68.37 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 111.892 0.33 . . . . 50.0 111.892 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.6 p -79.3 -35.74 40.71 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.413 -0.915 . . . . 25.0 110.467 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -79.94 -32.9 40.0 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.262 -0.575 . . . . 50.0 110.476 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -72.87 -27.35 61.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.925 -0.768 . . . . 50.0 108.925 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -82.4 10.66 54.16 Favored Glycine 0 C--O 1.225 -0.426 0 CA-C-N 115.93 -0.577 . . . . 25.0 112.441 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 51.06 39.06 22.32 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.718 1.207 . . . . 50.0 114.222 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.01 68.47 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.815 0.341 . . . . 25.0 111.318 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -86.65 33.53 3.69 Favored Glycine 0 C--O 1.224 -0.481 0 C-N-CA 121.23 -0.51 . . . . 25.0 112.729 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.485 1.312 0 C-N-CA 126.788 2.035 . . . . 25.0 115.163 -179.859 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 122.906 1.281 . . . . 25.0 112.792 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 88.6 p -154.77 174.3 15.24 Favored 'General case' 0 C--N 1.334 -0.091 0 O-C-N 121.237 -1.155 . . . . 25.0 108.377 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -83.26 110.14 17.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.447 -0.945 . . . . 50.0 108.447 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 34.5 p -106.09 0.92 25.89 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -149.57 161.59 41.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.389 -1.337 . . . . 50.0 107.389 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.01 130.95 34.38 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.331 1.063 . . . . 50.0 109.587 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.09 -21.69 64.04 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.833 -1.076 . . . . 50.0 110.901 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.53 -33.56 81.72 Favored Glycine 0 C--O 1.22 -0.734 0 C-N-CA 120.617 -0.801 . . . . 50.0 111.431 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.02 -41.52 86.5 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.31 -0.996 . . . . 50.0 108.31 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 52.4 t -72.03 -26.28 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.9 -0.591 . . . . 50.0 110.753 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.7 m -67.48 -39.34 85.26 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.577 -0.702 . . . . 50.0 109.538 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -75.84 -31.88 59.54 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.74 -39.28 88.12 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.768 -0.651 . . . . 50.0 109.464 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.25 -32.36 72.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.864 0.364 . . . . 25.0 111.087 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.6 -46.44 59.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.769 0.318 . . . . 25.0 110.614 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.04 -33.12 57.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 C-N-CA 121.112 -0.235 . . . . 50.0 110.438 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.46 -43.53 79.66 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.958 0.408 . . . . 50.0 110.005 175.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.57 87.99 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 122.093 -0.379 . . . . 25.0 110.601 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.78 -42.29 81.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.395 . . . . 25.0 110.278 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -61.85 -43.21 99.32 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 109.62 -0.511 . . . . 50.0 109.62 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.78 -45.79 85.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.128 -0.487 . . . . 50.0 112.098 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.74 -33.61 64.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 119.357 -0.937 . . . . 50.0 111.92 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 72.5 mtm -66.99 -34.63 78.17 Favored 'General case' 0 C--O 1.221 -0.418 0 O-C-N 121.802 -0.561 . . . . 50.0 109.52 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 85.6 m -61.58 -38.56 88.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.64 -38.31 86.64 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.43 -0.582 . . . . 50.0 109.43 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -65.47 -48.54 72.3 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.202 0.445 . . . . 50.0 112.202 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.44 -36.76 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 113.842 1.053 . . . . 50.0 113.842 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.99 -19.09 63.35 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.195 -0.315 . . . . 50.0 111.637 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -96.89 -2.47 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.443 0.163 . . . . 25.0 110.79 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -99.9 143.76 29.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.395 0.616 . . . . 25.0 111.506 -176.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -163.29 143.54 8.75 Favored Glycine 0 C--O 1.224 -0.512 0 N-CA-C 109.308 -1.517 . . . . 25.0 109.308 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -146.15 29.19 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.377 0.608 . . . . 25.0 109.383 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -132.57 -49.22 0.9 Allowed 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 114.721 1.378 . . . . 50.0 114.721 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 61.86 28.3 17.3 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.251 0.969 . . . . 50.0 111.138 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.69 -28.04 68.78 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.148 -0.478 . . . . 50.0 111.345 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -150.53 83.88 1.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.643 -1.243 . . . . 50.0 107.643 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -141.23 30.76 1.76 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.015 -0.993 . . . . 25.0 109.319 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -73.91 130.8 82.48 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 120.4 -0.52 . . . . 50.0 112.008 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -78.03 100.4 1.37 Allowed 'Trans proline' 0 CA--C 1.543 0.925 0 N-CA-C 116.823 1.816 . . . . 50.0 116.823 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -76.81 45.92 2.27 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 115.505 0.962 . . . . 25.0 115.505 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 41.0 t -78.06 93.54 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 121.9 0.857 . . . . 50.0 110.029 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.67 5.99 40.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 115.474 1.657 . . . . 25.0 115.474 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -138.61 138.35 9.39 Favored Glycine 0 C--O 1.224 -0.521 0 C-N-CA 120.934 -0.651 . . . . 25.0 111.823 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -112.35 -58.7 2.1 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.662 0.986 . . . . 25.0 113.662 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 44.5 m -132.78 145.01 50.64 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.632 0.604 . . . . 50.0 112.632 -176.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -165.45 165.85 18.85 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 103.819 -2.66 . . . . 25.0 103.819 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -105.57 -76.89 0.6 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.581 0.628 . . . . 50.0 109.327 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -70.56 -26.87 63.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.354 0.597 . . . . 25.0 111.086 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.01 -33.76 75.74 Favored Glycine 0 C--O 1.221 -0.71 0 CA-C-N 115.435 -0.802 . . . . 25.0 111.886 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -63.57 -44.84 92.92 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 117.41 0.605 . . . . 50.0 110.222 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -69.91 -35.4 74.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.733 -0.469 . . . . 50.0 109.733 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.82 97.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.928 -0.578 . . . . 25.0 110.062 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -36.27 82.26 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 120.75 -0.38 . . . . 50.0 110.645 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -60.44 -36.4 78.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.834 0.743 . . . . 50.0 110.28 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.09 -44.76 65.14 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 109.198 -1.561 . . . . 50.0 109.198 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.43 -39.91 64.75 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 122.843 0.457 . . . . 25.0 112.027 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -65.27 -44.2 88.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.084 0.469 . . . . 50.0 111.433 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.5 75.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.157 0.503 . . . . 25.0 110.9 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.0 m -69.79 -26.71 31.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 CA-C-N 116.551 -0.295 . . . . 50.0 110.925 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.11 -34.27 65.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.034 0.379 . . . . 25.0 111.342 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.23 90.3 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.22 67.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.581 0.229 . . . . 25.0 110.516 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.41 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.6 mm-40 -67.55 -46.7 71.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.018 -0.426 . . . . 50.0 111.987 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -63.89 -27.91 69.48 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.035 -0.666 . . . . 50.0 109.468 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -52.09 19.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 50.0 110.887 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.8 p -63.24 -35.9 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 118.642 0.656 . . . . 50.0 109.798 -176.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.57 -35.22 79.79 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.937 -0.574 . . . . 25.0 110.34 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.9 94.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.569 -0.453 . . . . 25.0 110.203 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.11 -34.52 59.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 109.703 -0.48 . . . . 50.0 109.703 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.73 -26.91 64.41 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.311 0.576 . . . . 25.0 109.843 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.0 mt -80.7 -42.25 22.28 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.281 0.562 . . . . 50.0 109.922 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.1 mtm -61.82 -27.56 68.86 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 116.228 -0.442 . . . . 50.0 111.565 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.8 p -77.93 -34.07 51.4 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 119.458 -0.897 . . . . 25.0 110.628 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -82.25 -27.7 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.366 -0.534 . . . . 50.0 111.317 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -78.8 -37.55 40.53 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.65 -0.656 . . . . 50.0 110.554 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -76.57 8.88 24.9 Favored Glycine 0 C--O 1.223 -0.563 0 N-CA-C 115.244 0.858 . . . . 25.0 115.244 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -72.46 -13.73 61.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.352 0.576 . . . . 50.0 110.446 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 56.63 11.72 0.94 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -79.0 78.85 1.66 Allowed Glycine 0 C--O 1.228 -0.24 0 C-N-CA 121.076 -0.583 . . . . 25.0 111.645 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 C--O 1.209 -1.029 0 CA-C-O 124.836 2.255 . . . . 25.0 111.336 179.008 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.857 0 CA-C-O 124.929 2.405 . . . . 25.0 110.939 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 34.5 t -76.2 104.2 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 112.972 -1.614 . . . . 25.0 109.647 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -98.98 27.78 4.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.413 0.625 . . . . 50.0 109.651 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 22.8 m -76.85 136.27 38.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.483 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -160.15 169.16 23.87 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 104.425 -2.435 . . . . 50.0 104.425 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 52.8 p -118.01 145.74 44.54 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.433 -0.951 . . . . 50.0 108.433 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.42 -20.09 59.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.937 -1.028 . . . . 50.0 112.082 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.17 -47.63 79.03 Favored Glycine 0 C--O 1.219 -0.79 0 N-CA-C 110.718 -0.953 . . . . 50.0 110.718 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -59.68 -39.1 83.38 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 109.49 -0.559 . . . . 50.0 109.49 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.75 -34.21 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.518 -0.31 . . . . 50.0 110.896 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.4 m -68.0 -41.65 81.95 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.003 -0.436 . . . . 50.0 110.388 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -73.69 -31.19 63.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.024 0.44 . . . . 25.0 110.031 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 51.4 ttp -64.86 -42.47 94.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.665 -0.865 . . . . 50.0 108.665 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.73 76.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.127 0.489 . . . . 25.0 110.584 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.37 75.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.201 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.6 p -71.55 -33.25 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.911 -0.316 . . . . 50.0 110.6 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -57.64 -47.37 82.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.147 -0.686 . . . . 50.0 109.147 175.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.59 94.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 25.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.45 92.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 25.0 111.737 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.477 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 20.3 pt-20 -72.68 -31.26 64.91 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.304 -0.959 . . . . 50.0 110.479 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.36 -47.95 79.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.4 -0.52 . . . . 50.0 110.048 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -71.29 -33.75 70.0 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 119.905 -0.718 . . . . 50.0 112.873 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' MET . . . . . 0.477 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 21.8 ptp -68.1 -33.14 73.96 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.497 -0.881 . . . . 50.0 109.863 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 79.9 m -65.7 -37.7 87.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.195 0.522 . . . . 25.0 109.668 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -65.15 -37.86 88.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.326 -0.859 . . . . 50.0 109.388 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -66.74 -39.68 88.03 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.622 0.971 . . . . 50.0 113.622 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.2 m -77.02 -24.53 15.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.52 0 N-CA-C 114.127 1.158 . . . . 50.0 114.127 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.38 -37.27 80.25 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.893 -0.41 . . . . 50.0 109.893 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -81.32 -47.6 13.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.58 0.705 . . . . 25.0 109.596 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . 48.98 -157.27 0.07 Allowed 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 115.705 1.743 . . . . 25.0 115.705 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 144.38 171.37 14.29 Favored Glycine 0 C--O 1.225 -0.427 0 N-CA-C 105.389 -3.084 . . . . 25.0 105.389 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -122.5 65.2 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.442 1.121 . . . . 25.0 111.804 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -74.51 -46.67 37.76 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 108.229 -1.026 . . . . 50.0 108.229 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 56.17 25.93 9.68 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 114.495 1.294 . . . . 50.0 114.495 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -32.03 72.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.999 0.904 . . . . 50.0 108.928 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -126.81 18.84 7.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.653 -1.158 . . . . 50.0 113.047 -177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -115.44 42.03 2.35 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.159 0.504 . . . . 25.0 111.409 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -75.62 149.11 83.36 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.903 -0.59 . . . . 50.0 110.016 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.81 166.09 23.84 Favored 'Trans proline' 0 C--N 1.345 0.35 0 CA-C-O 121.254 0.439 . . . . 50.0 112.434 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -118.64 -171.41 15.11 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 109.4 -1.48 . . . . 25.0 109.4 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.59 132.26 33.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.146 -1.027 . . . . 50.0 109.277 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 57.3 p -82.23 164.16 21.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.007 0.432 . . . . 25.0 110.093 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -166.42 178.58 40.85 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 108.967 -1.653 . . . . 25.0 108.967 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -65.74 -22.69 66.62 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 117.212 0.506 . . . . 25.0 111.21 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.1 t -147.76 153.07 38.77 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.562 -2.014 . . . . 50.0 105.562 177.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -157.55 149.44 22.23 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -105.77 -76.77 0.6 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.238 0.542 . . . . 50.0 110.581 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -64.69 -27.93 69.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.712 0.768 . . . . 25.0 110.335 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -58.75 -28.96 63.73 Favored Glycine 0 C--O 1.221 -0.689 0 CA-C-N 115.119 -0.946 . . . . 25.0 112.562 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -68.04 -34.81 77.16 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 117.847 0.823 . . . . 50.0 110.706 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -68.99 -37.75 78.9 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.107 -1.071 . . . . 50.0 108.107 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.66 93.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.112 -0.495 . . . . 25.0 110.432 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -37.64 87.64 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.916 -0.49 . . . . 50.0 109.798 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -65.77 -32.96 74.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.804 -0.56 . . . . 50.0 110.595 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -64.7 -48.8 68.54 Favored Glycine 0 C--O 1.221 -0.678 0 N-CA-C 107.48 -2.248 . . . . 50.0 107.48 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.78 68.56 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.426 0.291 . . . . 25.0 111.698 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -64.29 -46.39 83.83 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.176 0.512 . . . . 50.0 110.602 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.85 73.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.444 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.79 -26.42 32.79 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.83 0 C-N-CA 120.719 -0.392 . . . . 50.0 110.311 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.44 -31.46 65.93 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.253 0.479 . . . . 25.0 111.254 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.14 87.65 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -37.51 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.151 -0.314 . . . . 25.0 110.151 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.409 ' HA ' HG11 ' A' ' 476' ' ' VAL . 67.0 mm-40 -65.67 -47.04 76.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.601 0.593 . . . . 50.0 112.601 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -63.07 -27.9 69.71 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.467 -0.568 . . . . 50.0 109.467 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -51.51 16.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.765 -0.652 . . . . 50.0 111.139 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 473' ' ' GLN . 14.7 p -63.48 -36.57 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.777 0.717 . . . . 50.0 109.527 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -62.93 -35.9 81.62 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.274 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.58 95.29 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.597 -0.441 . . . . 25.0 110.242 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -71.54 -34.31 52.4 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 O-C-N 122.027 -0.42 . . . . 50.0 109.932 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.67 -26.96 65.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.545 0.688 . . . . 25.0 109.425 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.18 -42.31 23.61 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.6 mtm -61.39 -27.88 68.84 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 120.583 -0.447 . . . . 50.0 112.114 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.7 p -80.72 -35.27 33.71 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.977 -0.689 . . . . 25.0 110.263 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.59 -24.65 39.01 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.31 -0.556 . . . . 50.0 110.374 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.71 -21.89 51.27 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.972 -0.455 . . . . 50.0 110.161 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 63.79 25.55 69.21 Favored Glycine 0 C--O 1.227 -0.291 0 N-CA-C 108.916 -1.674 . . . . 25.0 108.916 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 51.0 22.12 1.14 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.05 1.34 . . . . 50.0 113.834 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -80.15 161.34 25.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -84.25 42.35 3.08 Favored Glycine 0 C--O 1.226 -0.392 0 C-N-CA 121.3 -0.476 . . . . 25.0 112.318 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.208 -1.084 0 CA-C-O 123.896 1.808 . . . . 25.0 112.721 -178.37 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 123.276 1.487 . . . . 25.0 112.78 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 21.0 p -83.48 157.64 22.34 Favored 'General case' 0 C--O 1.222 -0.381 0 O-C-N 120.942 -1.328 . . . . 25.0 109.27 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -117.42 32.33 6.22 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 106.616 -1.624 . . . . 50.0 106.616 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 41.6 m -152.15 154.12 35.21 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 100.771 -3.788 . . . . 25.0 100.771 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -138.12 156.91 47.29 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.409 0.522 . . . . 50.0 112.409 -175.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 2.7 m -90.67 32.92 0.94 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 123.758 0.823 . . . . 50.0 111.163 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 64.18 -42.68 0.27 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 117.419 2.377 . . . . 50.0 117.419 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.6 -26.68 71.08 Favored Glycine 0 C--O 1.221 -0.691 0 N-CA-C 111.094 -0.802 . . . . 50.0 111.094 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.83 -32.1 73.5 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 121.038 0.447 . . . . 50.0 110.299 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 28.0 t -74.16 -29.87 25.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.444 -0.576 . . . . 50.0 109.444 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 30.5 m -67.95 -36.68 80.52 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.948 -0.47 . . . . 50.0 109.811 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -74.56 -30.55 61.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.605 0.716 . . . . 25.0 109.58 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.34 -28.99 69.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.106 -0.497 . . . . 50.0 111.191 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.86 74.71 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.988 0.423 . . . . 25.0 110.197 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.52 -36.4 65.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 80.5 t -63.09 -44.66 99.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.026 -0.731 . . . . 50.0 109.026 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -56.53 -48.06 78.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.072 0.463 . . . . 50.0 110.819 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.09 97.61 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.465 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.6 -48.1 73.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 25.0 111.997 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.9 -33.06 73.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.588 -0.695 . . . . 50.0 110.23 -177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 35.6 mt -64.24 -46.23 84.68 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.747 -0.381 . . . . 50.0 110.092 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -73.69 -32.31 63.87 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.679 -0.809 . . . . 50.0 111.845 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 51.7 mtm -63.65 -41.74 98.18 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 109.323 -0.621 . . . . 50.0 109.323 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.4 m -57.89 -40.18 79.67 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.269 0.557 . . . . 25.0 110.905 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -64.53 -45.11 88.59 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.41 0.624 . . . . 50.0 109.953 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -64.79 -40.65 95.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.406 -0.815 . . . . 50.0 110.598 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.2 -37.19 72.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 123.983 0.913 . . . . 50.0 111.519 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.63 -22.8 66.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.022 -0.424 . . . . 50.0 111.895 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -93.44 -17.33 23.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.774 0.321 . . . . 25.0 110.933 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -81.95 68.77 8.46 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.246 0.546 . . . . 25.0 110.958 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -75.28 58.64 2.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 116.321 1.288 . . . . 25.0 116.321 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -81.28 99.2 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.387 0.594 . . . . 25.0 109.594 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -67.58 -33.2 74.53 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.173 0.805 . . . . 50.0 113.173 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 60.22 43.58 13.72 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 124.088 0.867 . . . . 50.0 110.735 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -67.97 -27.47 66.62 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.838 0.828 . . . . 50.0 109.947 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.73 24.75 0.09 Allowed 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.508 1.299 . . . . 50.0 114.508 -177.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -92.73 43.74 1.13 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.157 0.504 . . . . 25.0 112.045 -173.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -68.51 135.42 90.68 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-O 120.993 0.425 . . . . 50.0 111.654 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.9 122.77 5.97 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 115.592 1.343 . . . . 50.0 115.592 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -100.73 52.94 0.91 Allowed Glycine 0 CA--C 1.521 0.451 0 CA-C-N 115.25 -0.886 . . . . 25.0 114.842 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 11.5 p -63.37 130.34 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 117.733 0.767 . . . . 50.0 110.162 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 1.9 m -76.04 -15.19 60.17 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.05 1.87 . . . . 25.0 116.05 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 83.08 -158.87 36.88 Favored Glycine 0 C--O 1.227 -0.321 0 N-CA-C 110.456 -1.058 . . . . 25.0 110.456 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -152.21 -40.72 0.11 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 61.8 m -148.39 163.65 36.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.76 -0.587 . . . . 50.0 110.218 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -151.46 153.6 34.95 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -105.73 -76.79 0.6 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.056 -0.72 . . . . 50.0 109.056 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -63.38 -25.67 68.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.46 -33.84 83.01 Favored Glycine 0 C--O 1.22 -0.745 0 N-CA-C 111.036 -0.826 . . . . 25.0 111.036 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -66.66 -37.05 84.0 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.996 -0.708 . . . . 50.0 110.091 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 80.9 mmt-85 -65.9 -36.89 84.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.322 -0.992 . . . . 50.0 108.322 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.67 78.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.645 -0.707 . . . . 25.0 111.441 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -34.03 77.33 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.985 -0.447 . . . . 50.0 110.515 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -59.22 -36.29 75.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.164 -0.614 . . . . 50.0 110.017 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.03 -43.07 58.09 Favored Glycine 0 C--O 1.221 -0.683 0 N-CA-C 109.35 -1.5 . . . . 50.0 109.35 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.37 -40.07 64.69 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.85 0.46 . . . . 25.0 111.897 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -64.75 -43.02 94.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.069 0.462 . . . . 50.0 111.97 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.32 68.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.213 0.53 . . . . 25.0 111.009 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.9 m -68.26 -27.28 36.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 116.434 -0.348 . . . . 50.0 110.695 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -54.55 -32.87 59.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 117.739 0.245 . . . . 25.0 111.492 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.61 91.59 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.95 66.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.73 0.3 . . . . 25.0 110.788 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.419 ' HA ' HG13 ' A' ' 476' ' ' VAL . 57.3 mm-40 -69.73 -45.65 67.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.085 0.469 . . . . 50.0 111.45 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -64.84 -26.43 68.33 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.96 -0.696 . . . . 50.0 109.392 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -50.63 24.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.895 -0.593 . . . . 50.0 110.582 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.419 HG13 ' HA ' ' A' ' 473' ' ' GLN . 9.7 p -63.48 -37.04 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.074 -0.713 . . . . 50.0 109.074 -177.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -63.37 -36.06 82.45 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.994 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.84 89.51 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.612 -0.435 . . . . 25.0 110.282 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.59 -35.22 65.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 N-CA-C 109.674 -0.491 . . . . 50.0 109.674 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.03 -27.71 65.73 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.4 mt -81.23 -43.22 19.55 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.021 0.439 . . . . 50.0 110.568 176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.6 mtm -59.05 -26.43 64.59 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 111.931 0.345 . . . . 50.0 111.931 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.9 p -77.95 -37.27 47.9 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.062 -1.055 . . . . 25.0 110.038 -176.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -83.71 -24.34 31.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.018 0.377 . . . . 50.0 112.018 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.75 -34.56 24.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 118.213 0.46 . . . . 50.0 111.659 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -74.12 -26.16 69.32 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 121.192 -0.527 . . . . 25.0 113.573 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 42.83 43.46 3.45 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 114.219 1.192 . . . . 50.0 114.219 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.61 168.07 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 -177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 146.6 -37.52 1.2 Allowed Glycine 0 C--O 1.225 -0.463 0 N-CA-C 110.553 -1.019 . . . . 25.0 110.553 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.208 -1.122 0 N-CA-C 114.867 1.432 . . . . 25.0 114.867 178.028 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 CA-C-O 122.414 1.008 . . . . 25.0 112.42 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 21.2 t -76.9 60.34 1.76 Allowed 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.423 -1.045 . . . . 25.0 110.894 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -97.9 14.35 27.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.778 -0.646 . . . . 50.0 110.909 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 18.4 t -157.56 166.44 32.91 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 105.287 -2.116 . . . . 25.0 105.287 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -156.91 165.06 37.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 103.992 -2.596 . . . . 50.0 103.992 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 45.8 t -97.52 143.05 28.62 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.694 1.235 . . . . 50.0 109.541 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.7 -23.8 65.32 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 113.885 -1.507 . . . . 50.0 110.01 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.16 -32.85 69.03 Favored Glycine 0 C--O 1.222 -0.617 0 C-N-CA 120.61 -0.805 . . . . 50.0 111.106 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.42 -41.01 76.92 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 107.972 -1.121 . . . . 50.0 107.972 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.96 -32.91 60.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.819 -0.628 . . . . 50.0 110.405 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 69.7 m -63.29 -41.65 99.0 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.028 -0.42 . . . . 50.0 111.216 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -75.76 -35.26 60.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.611 0.719 . . . . 25.0 109.635 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.3 ttp -62.92 -36.18 82.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.557 . . . . 50.0 110.4 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.36 -31.17 72.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.899 0.38 . . . . 25.0 110.661 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.35 75.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.25 -44.75 87.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.301 -0.629 . . . . 50.0 109.301 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.36 -44.33 88.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.136 0.493 . . . . 50.0 109.949 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.91 87.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.501 -0.318 . . . . 25.0 110.409 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.15 84.35 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.99 -45.68 92.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.469 0.652 . . . . 50.0 109.685 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.94 -38.44 91.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.481 0.658 . . . . 50.0 110.372 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -33.36 68.0 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.024 -0.535 . . . . 50.0 110.869 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.4 mtm -71.6 -39.18 70.67 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.143 -0.973 . . . . 50.0 109.536 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 62.1 m -59.34 -43.09 92.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.665 0.269 . . . . 25.0 111.706 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -66.12 -31.29 72.06 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 119.621 -0.832 . . . . 50.0 110.159 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -72.37 -44.57 62.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.946 1.091 . . . . 50.0 113.946 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.97 -30.76 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 112.937 0.718 . . . . 50.0 112.937 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.71 -9.74 52.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.943 -0.571 . . . . 50.0 112.385 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 39.4 m170 -111.5 17.9 19.63 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.324 0.25 . . . . 25.0 110.966 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -126.86 158.42 36.74 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.859 0.361 . . . . 25.0 111.11 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 150.35 165.45 12.65 Favored Glycine 0 C--O 1.226 -0.359 0 C-N-CA 121.418 -0.42 . . . . 25.0 113.189 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -162.42 175.71 11.25 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 100.836 -3.765 . . . . 25.0 100.836 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -124.36 160.43 28.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.774 -0.824 . . . . 50.0 108.774 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -152.82 15.74 0.57 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.777 1.275 . . . . 50.0 107.741 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.83 -29.06 60.94 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 113.55 -1.659 . . . . 50.0 110.34 -172.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -121.4 15.19 11.26 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.156 -1.424 . . . . 50.0 107.156 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 48.68 51.4 15.7 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 113.849 -1.523 . . . . 25.0 112.843 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -53.74 143.89 37.53 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-O 121.469 0.652 . . . . 50.0 111.945 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.88 166.39 21.3 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 118.124 -0.784 . . . . 50.0 110.916 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -155.77 176.8 33.18 Favored Glycine 0 N--CA 1.434 -1.444 0 N-CA-C 106.709 -2.556 . . . . 25.0 106.709 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.11 134.96 65.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 107.041 -1.466 . . . . 50.0 107.041 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 15.1 m -64.35 144.12 57.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.789 0.328 . . . . 25.0 110.88 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -70.67 161.51 53.76 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.837 -0.697 . . . . 25.0 112.092 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -61.48 138.75 58.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.2 m -70.28 139.41 52.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.33 0.586 . . . . 50.0 112.291 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -67.59 156.92 35.64 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.083 -1.08 . . . . 25.0 108.083 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -104.98 -70.12 0.79 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.307 0.575 . . . . 50.0 111.758 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -61.9 -29.27 70.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -62.74 -33.89 88.13 Favored Glycine 0 C--O 1.223 -0.58 0 N-CA-C 111.218 -0.753 . . . . 25.0 111.218 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.8 -39.55 80.03 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 122.195 -0.591 . . . . 50.0 109.545 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -64.58 -38.85 92.44 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.112 -0.699 . . . . 50.0 109.112 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.1 78.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.812 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -36.9 85.47 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 120.713 -0.395 . . . . 50.0 111.075 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -62.0 -34.46 76.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.607 -0.683 . . . . 50.0 110.343 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.8 -48.18 62.8 Favored Glycine 0 C--O 1.218 -0.86 0 N-CA-C 108.106 -1.998 . . . . 50.0 108.106 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.72 65.07 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -67.12 -45.62 76.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.23 0.538 . . . . 50.0 111.092 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.28 84.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.011 0.434 . . . . 25.0 110.92 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.44 -31.33 50.84 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 C-N-CA 120.811 -0.355 . . . . 50.0 110.337 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.22 66.7 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.188 0.449 . . . . 25.0 111.547 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.03 89.61 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.938 0.399 . . . . 25.0 109.972 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.78 -34.01 66.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.325 -0.235 . . . . 25.0 110.596 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG13 ' A' ' 476' ' ' VAL . 57.1 mm-40 -68.66 -45.97 70.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.955 -0.466 . . . . 50.0 111.57 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.4 -27.3 69.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.188 -0.671 . . . . 50.0 109.188 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -52.32 13.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.774 -0.648 . . . . 50.0 110.783 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 473' ' ' GLN . 12.2 p -63.37 -36.7 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 118.694 0.679 . . . . 50.0 109.551 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -63.36 -35.88 81.87 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.987 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.67 87.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.047 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -69.37 -35.81 69.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.55 -0.46 . . . . 50.0 109.769 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.66 -27.14 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.781 -0.451 . . . . 25.0 109.781 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.38 -43.08 19.52 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.905 0.383 . . . . 50.0 111.164 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.6 mtm -59.22 -24.04 62.81 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 115.972 -0.558 . . . . 50.0 112.06 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.2 p -78.74 -31.22 46.21 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.464 -0.894 . . . . 25.0 109.685 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -79.52 -39.86 30.98 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.818 0.818 . . . . 50.0 109.059 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -69.02 -12.26 61.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.798 -1.092 . . . . 50.0 109.254 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -69.93 -26.44 74.34 Favored Glycine 0 C--O 1.228 -0.246 0 N-CA-C 111.158 -0.777 . . . . 25.0 111.158 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 43.52 41.1 3.16 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.0 1.111 . . . . 50.0 114.0 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -140.4 174.05 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 148.33 -38.77 1.01 Allowed Glycine 0 C--O 1.222 -0.6 0 N-CA-C 110.148 -1.181 . . . . 25.0 110.148 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.108 0 CA-C-O 123.85 1.786 . . . . 25.0 113.584 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 CA-C-O 122.842 1.246 . . . . 25.0 112.78 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 42.4 t -153.61 157.22 39.34 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.564 -1.273 . . . . 25.0 107.564 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -128.44 111.33 13.19 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.883 -0.784 . . . . 50.0 108.883 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 49.3 m -85.61 146.51 26.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 106.087 -1.82 . . . . 25.0 106.087 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -138.12 141.35 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.497 -0.557 . . . . 50.0 109.497 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.5 m -89.39 33.74 0.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.625 0.602 . . . . 50.0 112.625 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 63.49 -42.98 0.23 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 117.198 2.296 . . . . 50.0 117.198 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.64 -26.41 70.94 Favored Glycine 0 C--O 1.218 -0.846 0 N-CA-C 110.382 -1.087 . . . . 50.0 110.382 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.65 -30.14 71.16 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.485 -0.358 . . . . 50.0 110.658 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.5 t -74.25 -35.11 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.375 -0.972 . . . . 50.0 108.375 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.3 m -68.87 -36.53 78.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.92 0.391 . . . . 50.0 110.189 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.96 -34.59 75.59 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.338 -0.616 . . . . 25.0 109.338 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 35.0 ttm -60.55 -39.33 87.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.122 0.487 . . . . 50.0 110.366 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.77 -30.07 69.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.562 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.75 -36.81 73.3 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.65 -45.14 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.715 -0.846 . . . . 50.0 108.715 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.84 -44.01 90.86 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.114 -0.328 . . . . 50.0 110.114 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.99 91.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.338 -0.226 . . . . 25.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.95 87.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.743 0.306 . . . . 25.0 110.766 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.06 -41.63 97.29 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.556 0.693 . . . . 50.0 109.645 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.47 -47.28 82.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.628 -0.715 . . . . 50.0 111.576 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -69.39 -32.22 71.1 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.642 -0.823 . . . . 50.0 111.328 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 64.7 mtm -64.79 -42.2 95.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 46.0 m -62.76 -39.72 95.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.943 0.402 . . . . 25.0 110.343 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -65.37 -41.03 94.23 Favored 'General case' 0 CA--C 1.511 -0.555 0 O-C-N 121.266 -0.896 . . . . 50.0 110.24 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.49 -47.74 84.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.531 -0.759 . . . . 50.0 112.23 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.81 -37.58 79.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.662 -0.415 . . . . 50.0 112.001 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.5 -44.4 87.13 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.249 -0.282 . . . . 50.0 111.438 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -69.37 -29.18 66.9 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.975 0.361 . . . . 25.0 111.975 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -73.98 -27.93 61.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.802 0.334 . . . . 25.0 110.219 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -85.24 -37.08 10.15 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 121.008 -0.615 . . . . 25.0 114.45 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -161.91 174.5 13.02 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 122.167 0.984 . . . . 25.0 108.466 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -112.89 153.03 28.58 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.18 -1.373 . . . . 50.0 107.866 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -120.22 25.42 9.87 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.233 -1.395 . . . . 50.0 107.233 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -62.79 -28.5 70.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 113.978 -1.464 . . . . 50.0 110.127 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -147.41 53.98 1.07 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.149 -1.056 . . . . 50.0 108.149 -177.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -116.45 46.45 1.6 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.734 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.57 146.32 98.98 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 119.747 -0.781 . . . . 50.0 110.599 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.17 175.03 10.17 Favored 'Trans proline' 0 C--N 1.345 0.382 0 CA-C-O 120.978 0.324 . . . . 50.0 112.133 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -74.55 81.95 0.83 Allowed Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.025 -1.23 . . . . 25.0 110.025 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 12.5 p -57.63 142.39 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 122.03 0.919 . . . . 50.0 111.489 -177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 66.2 m -131.62 163.0 29.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -157.06 -160.12 9.91 Favored Glycine 0 C--O 1.229 -0.2 0 C-N-CA 120.861 -0.685 . . . . 25.0 111.457 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -59.63 125.8 25.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -28.01 66.75 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.495 0.924 . . . . 50.0 113.495 -177.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -154.23 112.32 3.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -101.11 -67.92 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.454 -0.943 . . . . 50.0 108.454 173.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -62.47 -28.82 70.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.683 0.754 . . . . 25.0 110.446 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.9 -28.88 66.65 Favored Glycine 0 C--O 1.219 -0.786 0 CA-C-N 115.133 -0.94 . . . . 25.0 112.883 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -63.6 -38.72 92.19 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 117.761 0.781 . . . . 50.0 110.653 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -72.66 -36.08 67.86 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.686 -0.857 . . . . 50.0 108.686 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.63 95.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.575 -0.739 . . . . 25.0 111.076 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -36.45 84.15 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 122.041 -0.412 . . . . 50.0 110.531 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -64.16 -35.27 80.22 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.195 -0.602 . . . . 50.0 110.177 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.36 -43.72 77.48 Favored Glycine 0 C--O 1.216 -1.026 0 N-CA-C 108.783 -1.727 . . . . 50.0 108.783 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.77 -35.83 66.68 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 122.671 0.388 . . . . 25.0 111.561 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -72.42 -41.26 66.42 Favored 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.96 89.29 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.188 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.33 -27.91 36.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 N-CA-C 110.234 -0.284 . . . . 50.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.09 -31.41 67.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.233 0.469 . . . . 25.0 111.507 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.02 89.54 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.97 66.97 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 120.643 0.259 . . . . 25.0 110.351 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.402 ' HA ' HG11 ' A' ' 476' ' ' VAL . 68.6 mm-40 -67.15 -46.13 74.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 -178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.37 -27.55 69.15 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.27 -52.32 10.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.596 -0.729 . . . . 50.0 111.219 178.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.402 HG11 ' HA ' ' A' ' 473' ' ' GLN . 12.3 p -63.44 -36.46 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 118.55 0.614 . . . . 50.0 110.263 -175.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -63.57 -33.73 76.24 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.34 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.9 96.17 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.465 -0.494 . . . . 25.0 109.997 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.06 -32.77 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.799 -0.445 . . . . 50.0 109.799 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.72 -27.64 65.09 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.34 -43.78 18.56 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.103 0.478 . . . . 50.0 110.088 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.1 mtm -61.03 -26.87 67.92 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 120.886 0.374 . . . . 50.0 111.753 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.1 p -80.23 -33.69 37.83 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 119.684 -0.806 . . . . 25.0 110.567 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -81.7 -27.14 34.1 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.147 -0.621 . . . . 50.0 111.007 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -79.35 -33.74 42.74 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 121.811 -0.556 . . . . 50.0 110.936 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -67.7 -20.85 72.52 Favored Glycine 0 C--O 1.221 -0.674 0 C-N-CA 121.509 -0.377 . . . . 25.0 113.984 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -96.06 8.88 42.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.021 -0.733 . . . . 50.0 109.021 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 53.9 43.37 30.98 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.014 0.821 . . . . 25.0 112.09 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -79.01 55.15 4.28 Favored Glycine 0 C--O 1.229 -0.213 0 CA-C-O 121.49 0.494 . . . . 25.0 113.129 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.21 -0.99 0 CA-C-O 123.642 1.687 . . . . 25.0 113.628 -177.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 123.094 1.385 . . . . 25.0 113.056 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 19.2 m -69.87 152.67 44.25 Favored 'General case' 0 C--N 1.334 -0.082 0 O-C-N 121.363 -1.08 . . . . 25.0 110.632 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.46 163.52 29.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.559 -1.645 . . . . 50.0 106.559 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 58.0 p -147.78 153.54 39.35 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -162.75 168.64 21.19 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 102.269 -3.234 . . . . 50.0 102.269 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.3 m -97.47 135.31 39.52 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.297 -1.001 . . . . 50.0 108.297 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.86 -27.58 69.26 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.536 -0.756 . . . . 50.0 111.851 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.98 -30.11 73.94 Favored Glycine 0 C--O 1.219 -0.808 0 C-N-CA 120.583 -0.818 . . . . 50.0 112.307 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.43 -36.76 84.9 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.21 -1.033 . . . . 50.0 108.21 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 45.1 t -71.55 -30.38 38.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.931 -0.577 . . . . 50.0 110.865 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.8 m -64.66 -41.47 96.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.716 -0.615 . . . . 50.0 109.829 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -74.82 -31.25 61.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.054 -0.521 . . . . 25.0 109.761 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 41.6 ttm -62.12 -44.21 97.13 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.209 -0.663 . . . . 50.0 109.209 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.6 -34.58 78.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.021 0.439 . . . . 25.0 110.664 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.17 75.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.511 -0.313 . . . . 25.0 111.223 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.43 -35.49 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.807 0.337 . . . . 50.0 110.516 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -60.36 -42.82 96.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.826 -0.435 . . . . 50.0 109.826 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.79 -37.38 87.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.708 0.29 . . . . 25.0 110.729 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.12 84.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.389 -0.369 . . . . 25.0 110.344 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.47 -42.47 99.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.944 0.878 . . . . 50.0 109.634 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 40.6 mt -59.67 -43.21 94.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.846 . . . . 50.0 111.615 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -73.71 -32.07 63.72 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.611 -0.835 . . . . 50.0 111.932 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.9 tpp -61.66 -38.53 88.07 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.091 -0.707 . . . . 50.0 109.091 176.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 50.2 m -60.66 -36.77 79.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.303 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -66.39 -44.54 82.77 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.337 -0.986 . . . . 50.0 108.337 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.56 -45.28 92.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.093 -0.958 . . . . 50.0 112.443 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.97 -35.89 66.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.593 0.59 . . . . 50.0 112.593 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 71.7 mt -66.8 -41.15 88.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.188 -0.32 . . . . 50.0 111.366 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -75.95 -11.76 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.26 -11.24 59.88 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.261 0.467 . . . . 25.0 112.261 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -118.56 142.04 16.56 Favored Glycine 0 C--O 1.225 -0.417 0 C-N-CA 121.203 -0.522 . . . . 25.0 113.396 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -155.35 151.25 27.69 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 105.771 -1.937 . . . . 25.0 105.771 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -82.28 133.93 35.26 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.86 -0.793 . . . . 50.0 108.86 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -87.67 62.37 6.99 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.729 -0.841 . . . . 50.0 108.729 177.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 20.8 t0 64.13 -61.47 0.18 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.615 1.566 . . . . 50.0 114.053 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -160.54 19.26 0.14 Allowed 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 122.348 1.07 . . . . 50.0 112.119 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -96.56 46.82 1.06 Allowed 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.694 -0.629 . . . . 25.0 111.906 -175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.51 142.14 73.95 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 107.828 -1.175 . . . . 50.0 107.828 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -75.9 -11.65 19.87 Favored 'Trans proline' 0 C--N 1.347 0.451 0 N-CA-C 113.396 0.499 . . . . 50.0 113.396 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 178.85 144.36 5.67 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 105.678 -2.969 . . . . 25.0 105.678 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.85 120.53 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.637 0.718 . . . . 50.0 109.901 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 17.3 m 55.6 21.84 4.8 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.399 -0.819 . . . . 25.0 113.14 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 67.93 17.43 69.56 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.558 -0.353 . . . . 25.0 113.353 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -117.35 162.93 17.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.404 0.621 . . . . 25.0 111.034 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 27.9 m -61.06 121.14 11.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.736 -0.665 . . . . 50.0 109.639 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -60.33 135.24 57.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -92.93 -67.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.066 -0.716 . . . . 50.0 109.066 175.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -63.4 -31.32 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.902 0.858 . . . . 25.0 113.04 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.14 -33.81 65.42 Favored Glycine 0 C--O 1.22 -0.779 0 CA-C-N 114.301 -1.318 . . . . 25.0 112.348 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -65.08 -44.07 90.11 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.976 -0.72 . . . . 50.0 110.24 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -65.98 -35.02 79.44 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.096 -0.705 . . . . 50.0 109.096 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.5 87.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.936 -0.575 . . . . 25.0 109.901 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -38.44 84.45 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 120.171 -0.612 . . . . 50.0 110.318 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.56 -35.6 76.43 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.737 -0.602 . . . . 50.0 110.131 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.6 -47.37 62.5 Favored Glycine 0 C--O 1.221 -0.657 0 N-CA-C 109.223 -1.551 . . . . 50.0 109.223 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.31 -39.42 64.02 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.845 0.458 . . . . 25.0 112.125 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -66.18 -44.11 84.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.166 0.508 . . . . 50.0 111.057 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.81 69.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.006 0.431 . . . . 25.0 111.601 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 24.0 m -66.49 -26.58 37.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 116.636 -0.256 . . . . 50.0 110.403 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.11 61.17 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.355 -0.215 . . . . 25.0 111.489 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.19 -37.71 84.13 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.88 0.371 . . . . 25.0 110.108 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.77 -31.77 65.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.662 0.268 . . . . 25.0 110.756 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.424 ' HA ' HG13 ' A' ' 476' ' ' VAL . 47.2 mm-40 -72.02 -45.76 59.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.384 0.612 . . . . 50.0 111.772 -176.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -63.22 -27.55 69.43 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.656 -0.868 . . . . 50.0 108.656 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.17 -52.71 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.001 -0.545 . . . . 50.0 111.16 177.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.424 HG13 ' HA ' ' A' ' 473' ' ' GLN . 13.7 p -62.74 -36.21 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 118.735 0.698 . . . . 50.0 109.72 -175.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -62.79 -36.61 83.69 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.884 -0.598 . . . . 25.0 110.408 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.23 91.07 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.699 -0.401 . . . . 25.0 110.479 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -71.54 -35.29 55.87 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 C-N-CA 120.397 -0.521 . . . . 50.0 109.84 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.6 66.29 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.441 0.638 . . . . 25.0 110.054 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.49 -41.8 38.08 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 121.321 0.582 . . . . 50.0 109.867 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.0 mtm -62.91 -28.29 69.95 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 116.189 -0.46 . . . . 50.0 111.601 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.3 p -80.39 -34.76 36.08 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.671 -0.811 . . . . 25.0 110.114 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -81.47 -23.56 37.34 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.391 -0.524 . . . . 50.0 110.977 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -79.29 -27.24 42.21 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 121.669 -0.644 . . . . 50.0 110.924 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 73.18 -4.63 23.98 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-O 121.414 0.452 . . . . 25.0 113.69 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.74 2.18 8.83 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.879 1.066 . . . . 50.0 113.879 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.86 71.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 75.21 -66.95 2.18 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-O 122.374 0.986 . . . . 25.0 112.579 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--O 1.214 -0.797 0 CA-C-O 123.695 1.712 . . . . 25.0 112.684 -178.642 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.88 0 CA-C-O 124.648 2.249 . . . . 25.0 111.035 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 23.0 p -66.21 -31.51 72.39 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 112.785 -1.708 . . . . 25.0 111.602 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -158.57 130.37 6.65 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.36 -0.978 . . . . 50.0 108.36 176.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 34.1 t -154.93 156.25 35.73 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 104.739 -2.319 . . . . 25.0 104.739 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -163.33 153.02 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.561 -0.903 . . . . 50.0 108.561 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.5 m -117.41 43.1 2.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.007 0.432 . . . . 50.0 110.235 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 63.73 -46.81 0.26 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 117.098 2.259 . . . . 50.0 117.098 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.61 -33.27 86.78 Favored Glycine 0 C--O 1.218 -0.867 0 N-CA-C 108.009 -2.037 . . . . 50.0 108.009 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.39 -36.58 71.45 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 114.821 -0.689 . . . . 50.0 110.302 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.8 -36.08 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.579 -0.526 . . . . 50.0 109.579 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.9 m -68.67 -40.55 80.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.66 0.267 . . . . 50.0 110.636 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -70.57 -34.67 72.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.5 ttp -66.54 -31.82 72.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.953 0.406 . . . . 50.0 109.939 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.81 69.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.925 -0.484 . . . . 25.0 109.737 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.45 -34.96 70.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.03 -44.03 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.526 -0.916 . . . . 50.0 108.526 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.1 -44.9 92.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.689 -0.485 . . . . 50.0 109.689 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.34 91.53 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.181 -0.324 . . . . 25.0 110.46 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.26 -44.77 87.05 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.553 -0.294 . . . . 25.0 110.219 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.86 -45.4 94.66 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 121.606 0.717 . . . . 50.0 109.512 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.5 -44.16 97.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.643 -0.708 . . . . 50.0 111.622 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -75.74 -35.28 60.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.338 -0.945 . . . . 50.0 112.784 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 67.6 mtm -62.48 -38.77 91.13 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 118.34 0.518 . . . . 50.0 110.17 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.0 m -53.03 -35.34 59.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.543 0.687 . . . . 25.0 110.718 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -66.98 -38.34 85.86 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.767 -0.583 . . . . 50.0 112.328 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -76.96 -39.03 52.05 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.939 -0.763 . . . . 50.0 108.939 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.55 -40.21 67.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 123.39 0.676 . . . . 50.0 111.599 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 47.4 mt -63.63 -20.03 65.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.566 0.95 . . . . 50.0 113.566 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -118.43 14.2 13.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -146.8 -44.57 0.18 Allowed 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 113.815 1.042 . . . . 25.0 113.815 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -89.77 -35.1 7.95 Favored Glycine 0 C--O 1.218 -0.887 0 C-N-CA 121.213 -0.518 . . . . 25.0 113.477 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 52.44 70.16 0.6 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.691 0.757 . . . . 25.0 112.727 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 61.06 -148.77 0.42 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.928 1.291 . . . . 50.0 112.965 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -141.87 26.99 1.85 Allowed 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.042 0.537 . . . . 50.0 110.087 -176.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.05 -29.0 69.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.976 -0.556 . . . . 50.0 110.379 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -128.37 31.21 5.06 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.002 0.43 . . . . 50.0 110.541 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -112.18 46.24 1.18 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -69.67 149.15 96.87 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-O 121.016 0.436 . . . . 50.0 111.375 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.6 167.71 23.74 Favored 'Trans proline' 0 C--N 1.347 0.484 0 CA-C-O 121.453 0.522 . . . . 50.0 112.795 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -91.6 -160.3 36.16 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 122.496 1.053 . . . . 25.0 112.553 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 8.8 p -120.91 157.79 23.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 108.181 -1.044 . . . . 50.0 108.181 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 68.3 m -131.55 162.07 31.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 131.91 64.65 0.09 OUTLIER Glycine 0 C--O 1.221 -0.671 0 O-C-N 123.282 0.363 . . . . 25.0 113.17 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.15 38.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 78.4 p -73.92 -23.91 59.6 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.188 0.44 . . . . 50.0 112.188 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 43.34 51.35 5.93 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -51.18 -45.08 61.65 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.268 0.84 . . . . 50.0 113.268 -176.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -61.96 -38.51 88.81 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.663 -0.648 . . . . 25.0 112.665 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -69.79 -34.35 71.94 Favored Glycine 0 C--O 1.22 -0.721 0 N-CA-C 110.844 -0.902 . . . . 25.0 110.844 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.58 -46.74 81.41 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.469 -0.937 . . . . 50.0 108.469 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -63.82 -37.5 87.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.483 -0.487 . . . . 50.0 110.141 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.68 87.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.912 -0.403 . . . . 25.0 109.912 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -38.57 86.49 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-O 119.116 -0.468 . . . . 50.0 110.906 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -54.97 -39.52 69.07 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.1 0.863 . . . . 50.0 110.44 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.87 -50.02 25.95 Favored Glycine 0 C--O 1.218 -0.883 0 N-CA-C 109.895 -1.282 . . . . 50.0 109.895 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.21 66.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -71.61 -43.18 66.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.05 0.452 . . . . 50.0 110.109 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.26 87.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.939 0.4 . . . . 25.0 110.142 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.2 m -70.44 -28.68 35.9 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.297 0 C-N-CA 120.464 -0.494 . . . . 50.0 110.402 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.26 -36.16 72.82 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.028 0.831 . . . . 25.0 110.693 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.37 87.38 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.78 65.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.631 -0.259 . . . . 25.0 110.96 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.429 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.6 mm-40 -71.1 -45.81 62.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.88 -0.512 . . . . 50.0 111.352 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -63.29 -27.7 69.51 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.021 -0.733 . . . . 50.0 109.021 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.26 -52.44 13.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.955 -0.566 . . . . 50.0 110.946 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.8 p -63.4 -35.32 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 O-C-N 121.627 -0.671 . . . . 50.0 109.46 -176.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -62.68 -36.77 83.97 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.233 -0.44 . . . . 25.0 110.553 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.3 96.52 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.571 -0.451 . . . . 25.0 109.821 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.3 mt -72.17 -34.46 49.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 N-CA-C 110.027 -0.36 . . . . 50.0 110.027 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.35 -26.98 65.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.364 0.602 . . . . 25.0 109.75 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.8 mt -77.05 -43.1 35.75 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.791 -0.818 . . . . 50.0 108.791 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.7 mtm -62.32 -28.93 70.09 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 122.099 -0.376 . . . . 50.0 111.298 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.5 p -80.31 -12.34 59.61 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.296 -0.562 . . . . 25.0 112.074 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -108.97 -33.64 6.85 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 111.768 0.285 . . . . 50.0 111.768 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -78.36 -32.75 49.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.614 -0.679 . . . . 50.0 110.135 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -78.36 -0.55 78.65 Favored Glycine 0 C--O 1.225 -0.453 0 N-CA-C 111.453 -0.659 . . . . 25.0 111.453 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -134.03 29.78 3.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.103 -1.073 . . . . 50.0 108.103 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -62.37 130.38 45.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.154 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -163.32 39.2 0.33 Allowed Glycine 0 C--O 1.219 -0.821 0 N-CA-C 111.022 -0.831 . . . . 25.0 111.022 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.209 -1.069 0 CA-C-O 123.693 1.711 . . . . 25.0 112.7 -178.498 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 CA-C-O 122.136 0.854 . . . . 25.0 111.844 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 19.8 m -66.88 129.72 40.82 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 120.734 -1.451 . . . . 25.0 109.392 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -125.38 18.26 8.23 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.338 0.589 . . . . 50.0 109.575 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 42.6 t -86.08 150.36 24.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 103.838 -2.653 . . . . 25.0 103.838 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -131.36 144.32 51.15 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.3 m -91.99 32.81 1.1 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.708 0.803 . . . . 50.0 112.122 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.18 -53.96 0.19 Allowed 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 117.244 2.313 . . . . 50.0 117.244 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.2 -29.43 75.28 Favored Glycine 0 C--O 1.216 -1.029 0 N-CA-C 109.784 -1.326 . . . . 50.0 109.784 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -62.95 -26.88 69.03 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.0 -0.6 . . . . 50.0 111.152 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 63.4 t -72.66 -35.17 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 108.624 -0.88 . . . . 50.0 108.624 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.0 m -68.03 -39.67 83.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.566 -0.531 . . . . 50.0 109.566 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -68.14 -37.54 81.18 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 57.7 ttp -65.2 -32.44 74.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.174 -0.466 . . . . 50.0 111.129 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.59 -32.78 74.35 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.208 0.528 . . . . 25.0 110.029 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.81 65.56 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.41 -44.0 97.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.445 0 N-CA-C 108.879 -0.785 . . . . 50.0 108.879 177.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.86 -43.71 81.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.711 0.291 . . . . 50.0 110.823 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.78 99.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.76 -0.376 . . . . 25.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.18 85.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.785 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.36 -41.95 98.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.515 -0.55 . . . . 50.0 109.515 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 32.2 mt -61.22 -43.6 98.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.2 0.445 . . . . 50.0 112.2 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.9 -35.61 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.843 -0.743 . . . . 50.0 111.073 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.3 mtm -64.1 -37.73 88.49 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.827 -0.545 . . . . 50.0 109.706 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 83.7 m -58.23 -37.27 74.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.955 0.407 . . . . 25.0 110.344 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -66.17 -46.29 77.88 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.308 -0.87 . . . . 50.0 109.319 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.24 -42.94 99.27 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 113.372 0.879 . . . . 50.0 113.372 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.21 -38.06 80.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.554 -0.458 . . . . 50.0 112.115 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.52 -35.96 78.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.992 -0.442 . . . . 50.0 110.796 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -74.47 -13.41 60.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.193 -0.317 . . . . 25.0 111.488 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -114.82 21.75 14.1 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -68.27 163.25 48.75 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.931 -0.652 . . . . 25.0 113.336 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -150.45 169.47 21.39 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 105.448 -2.056 . . . . 25.0 105.448 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 55.99 -162.89 0.16 Allowed 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.622 1.169 . . . . 50.0 112.442 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -142.12 41.5 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 103.95 -2.611 . . . . 50.0 103.95 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -30.75 71.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.268 -1.333 . . . . 50.0 111.238 -175.14 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -140.74 60.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.532 -1.284 . . . . 50.0 107.532 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -98.79 43.42 1.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.463 -0.79 . . . . 25.0 110.731 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -70.35 139.91 87.3 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 121.3 0.571 . . . . 50.0 111.639 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.34 134.76 12.92 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 N-CA-C 115.916 1.468 . . . . 50.0 115.916 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -96.66 91.4 1.25 Allowed Glycine 0 CA--C 1.52 0.383 0 CA-C-N 114.928 -1.033 . . . . 25.0 112.628 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.24 -29.05 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.405 0.621 . . . . 50.0 110.207 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 66.2 m -96.05 150.07 20.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 92.75 -0.43 70.16 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.48 -0.867 . . . . 25.0 111.818 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -77.04 39.94 0.24 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.53 0.681 . . . . 25.0 111.717 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 44.2 t -151.72 142.86 23.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 104.781 -2.303 . . . . 50.0 104.781 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -66.82 114.47 5.7 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.533 0.198 . . . . 25.0 111.533 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -105.3 -62.47 1.35 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.012 0.434 . . . . 50.0 110.611 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -62.44 -31.12 71.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.794 0.807 . . . . 25.0 110.292 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.05 -29.67 75.1 Favored Glycine 0 C--O 1.226 -0.358 0 CA-C-N 115.438 -0.801 . . . . 25.0 112.292 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -66.59 -40.67 89.01 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 117.588 0.694 . . . . 50.0 109.332 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 78.2 mmt-85 -63.4 -40.86 98.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.778 -0.823 . . . . 50.0 108.778 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.69 -45.92 80.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.45 -0.796 . . . . 25.0 110.502 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -40.37 90.86 Favored 'General case' 0 C--O 1.212 -0.879 0 C-N-CA 120.655 -0.418 . . . . 50.0 110.692 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.0 -33.35 75.54 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.569 -0.707 . . . . 50.0 111.091 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.24 -48.15 66.54 Favored Glycine 0 C--O 1.22 -0.771 0 N-CA-C 107.731 -2.148 . . . . 50.0 107.731 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.73 -38.39 72.3 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 116.613 0.206 . . . . 25.0 111.311 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -66.5 -45.33 79.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.098 0.475 . . . . 50.0 110.672 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.27 87.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.203 0.525 . . . . 25.0 110.409 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.0 m -70.33 -29.06 37.63 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 C-N-CA 120.014 -0.674 . . . . 50.0 110.737 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.84 -35.25 72.61 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.845 0.748 . . . . 25.0 110.471 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.0 89.52 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.26 67.43 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 122.248 -0.283 . . . . 25.0 110.939 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 64.7 mm-40 -69.08 -45.55 70.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.615 -0.678 . . . . 50.0 112.673 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 12.4 ptm85 -62.1 -27.82 69.19 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 108.639 -0.874 . . . . 50.0 108.639 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.8 tp -76.25 -52.98 8.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.579 -0.737 . . . . 50.0 111.595 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 8.4 p -63.88 -37.97 81.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.827 -0.546 . . . . 50.0 110.006 -175.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -64.34 -35.56 81.29 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.41 97.41 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.695 -0.628 . . . . 25.0 109.886 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.4 -36.56 67.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.18 -27.13 65.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.201 0.524 . . . . 25.0 109.839 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.13 -39.95 28.42 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 109.346 -0.613 . . . . 50.0 109.346 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.0 mtm -62.59 -29.08 70.33 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.698 -0.626 . . . . 50.0 111.294 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.5 p -81.61 -15.72 53.79 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.389 -0.524 . . . . 25.0 112.17 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.21 -26.21 13.07 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.037 -0.265 . . . . 50.0 110.994 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -86.61 -12.1 49.55 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 121.868 -0.52 . . . . 50.0 111.682 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 81.36 -45.0 3.15 Favored Glycine 0 C--O 1.225 -0.417 0 N-CA-C 112.222 -0.351 . . . . 25.0 112.222 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 54.11 29.13 9.85 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.891 1.071 . . . . 50.0 113.891 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -63.65 140.79 58.91 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -63.3 -30.76 78.51 Favored Glycine 0 C--O 1.226 -0.372 0 CA-C-O 121.758 0.643 . . . . 25.0 113.468 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.206 -1.208 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -179.69 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.375 0 CA-C-O 123.053 1.363 . . . . 25.0 112.596 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 18.9 t -157.32 -51.95 0.07 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.01 -1.288 . . . . 25.0 111.982 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -139.84 59.16 1.59 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.002 -1.11 . . . . 50.0 108.002 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 25.3 t -158.25 158.86 35.27 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 105.925 -1.88 . . . . 25.0 105.925 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -158.24 166.64 31.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 105.6 -2.0 . . . . 50.0 105.6 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 45.1 m -109.21 146.43 34.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.807 0.813 . . . . 50.0 109.024 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.02 -20.1 63.28 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.504 -0.771 . . . . 50.0 111.829 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.38 -35.81 82.91 Favored Glycine 0 C--O 1.216 -0.994 0 N-CA-C 109.981 -1.248 . . . . 50.0 109.981 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.25 -34.22 76.97 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.037 -0.727 . . . . 50.0 109.037 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.18 -28.01 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.196 0.522 . . . . 50.0 109.946 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 34.5 m -68.51 -39.7 81.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.391 -0.596 . . . . 50.0 109.391 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -75.15 -29.18 60.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.857 -0.423 . . . . 25.0 109.857 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 55.2 ttm -59.91 -40.89 90.36 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.19 -0.459 . . . . 50.0 110.295 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.02 77.42 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.255 0.55 . . . . 25.0 111.131 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.73 -45.41 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.887 0.375 . . . . 25.0 111.134 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.86 -34.54 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.55 -0.296 . . . . 50.0 110.619 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -47.32 75.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.254 0.549 . . . . 50.0 109.929 176.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.58 91.27 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 122.067 -0.395 . . . . 25.0 110.258 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.82 72.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.027 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.8 -33.46 68.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.665 -0.647 . . . . 50.0 110.543 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.84 -42.4 98.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.041 -0.726 . . . . 50.0 109.041 176.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.01 -32.24 61.57 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.458 0.91 . . . . 50.0 113.458 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 40.9 mtm -63.54 -37.11 86.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 118.336 0.516 . . . . 50.0 110.384 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 57.8 m -56.18 -33.12 64.97 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.917 0.865 . . . . 25.0 110.608 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -70.97 -42.67 69.42 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.707 -0.621 . . . . 50.0 109.813 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -64.95 -39.97 94.3 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.4 t -59.66 -40.2 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.0 -1.0 . . . . 50.0 111.019 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 56.7 mt -70.68 -19.48 62.78 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.324 0.49 . . . . 50.0 112.324 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -95.34 -2.42 49.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.603 0.239 . . . . 25.0 110.945 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -113.47 171.4 7.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.31 0.576 . . . . 25.0 110.742 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -80.51 118.4 4.66 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 109.056 -1.618 . . . . 25.0 109.056 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -142.07 158.06 44.2 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 103.286 -2.857 . . . . 25.0 103.286 -178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -71.57 -28.38 63.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.782 -0.644 . . . . 50.0 111.983 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 60.18 33.77 21.09 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.295 0.997 . . . . 50.0 111.401 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -64.95 -25.71 67.99 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.68 -0.691 . . . . 50.0 109.871 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -132.74 76.04 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.386 -1.709 . . . . 50.0 106.386 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -121.31 45.31 2.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.342 -1.299 . . . . 25.0 109.231 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.35 139.38 94.76 Favored Pre-proline 0 C--O 1.243 0.711 0 CA-C-O 121.35 0.595 . . . . 50.0 111.773 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.4 166.53 27.32 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 CA-C-O 121.741 0.642 . . . . 50.0 112.354 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 91.36 -36.26 3.69 Favored Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.74 -0.664 . . . . 25.0 112.737 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.45 -41.96 89.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 122.008 0.909 . . . . 50.0 109.097 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 65.0 p -76.57 120.3 21.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.837 -0.619 . . . . 25.0 110.764 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -152.91 -83.83 0.04 OUTLIER Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.783 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 59.27 -156.09 0.34 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.6 t -85.51 162.92 18.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.205 0.526 . . . . 50.0 112.221 -176.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -57.31 144.0 37.51 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.761 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -105.71 -58.02 1.96 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.33 0.586 . . . . 50.0 111.208 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -61.52 -33.13 73.28 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -64.79 -33.87 88.4 Favored Glycine 0 C--O 1.226 -0.36 0 N-CA-C 111.056 -0.818 . . . . 25.0 111.056 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -69.67 -40.73 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.266 -0.642 . . . . 50.0 109.266 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -62.57 -37.53 86.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.439 -0.578 . . . . 50.0 109.439 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.38 91.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 25.0 111.006 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -35.19 79.9 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 120.727 -0.389 . . . . 50.0 110.394 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.28 -32.59 74.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.629 -0.669 . . . . 50.0 110.323 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.33 -44.17 91.2 Favored Glycine 0 C--O 1.22 -0.778 0 N-CA-C 107.935 -2.066 . . . . 50.0 107.935 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.59 -39.42 67.82 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 122.584 0.353 . . . . 25.0 111.589 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -66.72 -43.26 84.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.107 0.48 . . . . 50.0 111.59 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.2 79.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.256 0.551 . . . . 25.0 111.064 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.4 m -68.08 -27.94 39.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 116.441 -0.345 . . . . 50.0 110.485 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.89 -30.46 61.6 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.598 0.221 . . . . 25.0 111.598 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.93 92.84 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.3 66.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.772 0.32 . . . . 25.0 110.432 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.412 ' HA ' HG13 ' A' ' 476' ' ' VAL . 56.8 mm-40 -68.28 -45.47 72.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.957 0.408 . . . . 50.0 111.779 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -65.02 -26.81 68.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.089 -0.644 . . . . 50.0 109.469 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -51.05 23.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.98 -0.554 . . . . 50.0 110.514 177.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.412 HG13 ' HA ' ' A' ' 473' ' ' GLN . 10.7 p -63.4 -36.82 77.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.493 0.663 . . . . 50.0 109.327 -176.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -63.54 -35.8 81.68 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.98 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.67 -45.66 88.89 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.328 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -69.6 -35.47 66.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.642 -0.503 . . . . 50.0 109.642 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.4 -27.24 65.82 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.4 0.619 . . . . 25.0 109.426 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.39 -42.48 20.39 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-O 120.978 0.418 . . . . 50.0 110.496 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.4 mtm -59.35 -26.95 65.48 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 111.872 0.323 . . . . 50.0 111.872 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.6 p -77.46 -37.6 51.12 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.083 -1.047 . . . . 25.0 110.042 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -83.19 -24.18 32.55 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.104 -0.239 . . . . 50.0 111.584 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -84.19 -32.34 24.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.693 -0.63 . . . . 50.0 111.687 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -72.69 -23.91 77.07 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.958 -0.639 . . . . 25.0 112.422 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 70.4 mtm-85 48.16 34.18 4.19 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.349 1.241 . . . . 50.0 114.349 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -78.74 28.38 0.21 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -82.32 67.58 3.67 Favored Glycine 0 C--O 1.226 -0.372 0 CA-C-O 121.502 0.501 . . . . 25.0 111.964 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.212 -0.917 0 CA-C-O 123.476 1.608 . . . . 25.0 111.257 179.54 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.53 0 CA-C-O 123.083 1.379 . . . . 25.0 112.947 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 82.2 p -80.16 151.38 29.78 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 120.762 -1.434 . . . . 25.0 109.462 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 43.8 tpt85 -85.15 -23.75 28.26 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.423 -0.511 . . . . 50.0 110.082 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 37.7 p -154.05 149.31 27.03 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 105.741 -1.948 . . . . 25.0 105.741 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -86.86 157.88 19.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.182 0.515 . . . . 50.0 111.662 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 28.4 t -126.62 50.62 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.225 -1.028 . . . . 50.0 108.225 176.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 63.9 -46.92 0.27 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 117.368 2.358 . . . . 50.0 117.368 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -62.97 -37.28 94.69 Favored Glycine 0 C--O 1.218 -0.889 0 N-CA-C 109.275 -1.53 . . . . 50.0 109.275 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.59 -25.19 68.12 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 112.324 0.49 . . . . 50.0 112.324 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 27.7 t -71.88 -33.45 47.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.126 -1.065 . . . . 50.0 108.126 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -69.06 -36.73 78.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.551 -0.537 . . . . 50.0 109.551 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -68.12 -36.45 79.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.0 tpp -63.82 -40.1 95.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.198 0.523 . . . . 50.0 109.865 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.78 -32.19 73.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.793 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.15 -37.52 81.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.71 -45.98 86.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.307 -0.627 . . . . 50.0 109.307 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.96 -43.58 94.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.963 0.411 . . . . 50.0 110.132 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.53 91.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.243 -0.286 . . . . 25.0 110.722 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.57 97.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.698 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.7 -41.66 87.65 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.59 0.71 . . . . 50.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.86 -44.04 97.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.126 -0.488 . . . . 50.0 110.262 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -78.61 -31.74 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.875 1.806 . . . . 50.0 115.875 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 20.9 ptp -62.33 -31.8 72.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 119.226 0.921 . . . . 50.0 110.206 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 24.5 m -64.66 -31.35 72.54 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.922 -0.581 . . . . 25.0 109.883 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -69.46 -39.65 77.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.423 -0.798 . . . . 50.0 109.071 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -64.21 -44.44 91.9 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.898 -0.321 . . . . 50.0 111.51 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 21.8 m -67.86 -34.23 66.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.526 0.565 . . . . 50.0 112.526 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.93 -21.5 60.88 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.528 0.566 . . . . 50.0 112.528 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -93.63 -0.02 56.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.909 0.385 . . . . 25.0 110.114 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -127.27 -138.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -175.28 166.03 37.32 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 109.808 -1.317 . . . . 25.0 109.808 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -155.21 170.01 22.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 103.211 -2.885 . . . . 25.0 103.211 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -68.58 -28.98 67.42 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.028 0.751 . . . . 50.0 113.028 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 42.28 30.18 0.19 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.974 1.472 . . . . 50.0 114.974 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -78.29 -24.83 46.54 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 122.504 1.145 . . . . 50.0 109.332 -178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.25 19.8 5.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.418 -1.265 . . . . 50.0 112.437 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -81.56 27.93 0.42 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.352 1.612 . . . . 25.0 115.352 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -102.43 141.83 23.33 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 121.97 -0.456 . . . . 50.0 111.47 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.27 154.25 41.12 Favored 'Trans proline' 0 C--N 1.348 0.514 0 CA-C-O 121.829 0.679 . . . . 50.0 112.803 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -94.19 -157.03 32.7 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.194 -0.912 . . . . 25.0 112.035 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 54.4 t -115.31 102.56 13.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.885 -0.657 . . . . 50.0 109.429 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 2.7 m -68.88 -17.82 64.04 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.028 -0.533 . . . . 25.0 112.359 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 103.51 142.41 11.94 Favored Glycine 0 C--O 1.225 -0.412 0 CA-C-N 115.807 -0.633 . . . . 25.0 113.134 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -158.87 145.8 17.3 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 59.9 m -88.41 103.48 15.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.534 0.207 . . . . 50.0 111.156 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -134.03 40.0 3.09 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -43.71 -54.47 5.06 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.25 1.945 . . . . 50.0 116.25 -174.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -66.6 -32.36 73.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.379 -0.825 . . . . 25.0 111.221 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -68.71 -33.74 76.56 Favored Glycine 0 C--O 1.217 -0.927 0 N-CA-C 111.424 -0.671 . . . . 25.0 111.424 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -62.02 -39.81 93.55 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.945 -0.761 . . . . 50.0 108.945 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -71.6 -35.7 70.59 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.311 -0.555 . . . . 50.0 109.867 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.83 -41.66 82.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.461 -0.336 . . . . 25.0 111.125 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -33.58 76.14 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 122.219 -0.301 . . . . 50.0 111.151 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -59.29 -36.52 75.72 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.993 -0.683 . . . . 50.0 110.333 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.95 -45.52 50.67 Favored Glycine 0 C--O 1.218 -0.853 0 N-CA-C 108.885 -1.686 . . . . 50.0 108.885 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.1 67.04 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 111.927 0.343 . . . . 25.0 111.927 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -67.3 -43.77 80.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.056 0.455 . . . . 50.0 111.368 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.32 87.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.135 0.493 . . . . 25.0 110.275 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.21 -27.5 29.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 C-N-CA 120.907 -0.317 . . . . 50.0 110.84 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.94 68.44 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.225 0.466 . . . . 25.0 111.277 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.15 90.03 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.77 -35.93 67.55 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 120.621 0.248 . . . . 25.0 110.623 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.404 ' HA ' HG12 ' A' ' 476' ' ' VAL . 58.8 mm-40 -67.53 -46.42 72.88 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.166 0.432 . . . . 50.0 112.166 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -64.0 -27.69 69.3 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.244 -0.65 . . . . 50.0 109.244 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.43 -52.58 15.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.633 -0.712 . . . . 50.0 111.108 176.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.404 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.5 p -63.36 -36.43 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 118.684 0.675 . . . . 50.0 109.846 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -63.6 -34.96 78.99 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.067 -0.515 . . . . 25.0 110.298 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.34 97.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.216 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.62 -34.62 57.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.791 -0.448 . . . . 50.0 109.791 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.33 -27.05 63.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.373 0.606 . . . . 25.0 109.726 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.05 -41.32 22.81 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.25 0.548 . . . . 50.0 110.245 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.5 mtm -62.56 -28.18 69.69 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 116.369 -0.378 . . . . 50.0 111.475 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 37.9 p -76.8 -37.49 55.68 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 119.167 -1.013 . . . . 25.0 110.073 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -77.89 -28.49 49.89 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.423 -0.511 . . . . 50.0 110.01 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -70.87 -30.57 66.99 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.82 -0.808 . . . . 50.0 108.82 175.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -81.78 7.06 63.47 Favored Glycine 0 C--O 1.228 -0.277 0 N-CA-C 111.524 -0.63 . . . . 25.0 111.524 175.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 52.08 36.89 20.01 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.14 1.376 . . . . 50.0 113.481 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -114.38 150.52 34.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.972 -1.121 . . . . 25.0 107.972 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -82.2 45.48 3.35 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 111.854 -0.499 . . . . 25.0 111.854 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.21 -1.022 0 CA-C-O 124.2 1.952 . . . . 25.0 110.937 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 122.9 1.278 . . . . 25.0 112.915 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 49.1 m -129.25 160.35 33.22 Favored 'General case' 0 CA--C 1.519 -0.229 0 O-C-N 121.63 -0.923 . . . . 25.0 109.038 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -141.9 158.14 44.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.232 -1.395 . . . . 50.0 107.232 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 21.5 t -161.55 -179.86 7.65 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 103.994 -2.595 . . . . 25.0 103.994 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -131.89 144.14 50.65 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.589 -0.522 . . . . 50.0 109.589 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.54 31.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.563 0.745 . . . . 50.0 112.601 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 65.36 -47.38 0.37 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 116.061 1.875 . . . . 50.0 116.061 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.45 -27.84 72.3 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.634 -0.986 . . . . 50.0 110.634 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.93 -35.54 73.28 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 121.099 0.476 . . . . 50.0 110.911 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.29 -33.41 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.052 0.453 . . . . 50.0 110.169 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.7 m -67.26 -39.23 86.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.853 -0.339 . . . . 50.0 110.305 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.4 -34.18 65.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.401 0.619 . . . . 25.0 109.654 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 45.9 ttm -58.83 -34.33 71.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 50.0 110.999 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.95 82.27 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.888 0.375 . . . . 25.0 110.205 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.89 -38.99 66.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.21 -45.83 97.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 109.672 -0.492 . . . . 50.0 109.672 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -62.4 -39.36 92.99 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.056 -0.403 . . . . 50.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.57 91.55 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.51 90.8 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.453 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.34 -43.91 92.7 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 122.235 1.017 . . . . 50.0 109.43 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 67.6 mt -61.25 -44.52 97.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.49 -1.232 . . . . 50.0 112.053 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -73.67 -32.14 63.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.778 0.717 . . . . 50.0 111.803 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 3.9 tpp -63.4 -37.8 88.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.632 -0.877 . . . . 50.0 108.632 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 54.9 m -60.45 -36.25 77.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -67.4 -44.25 79.29 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.265 -1.013 . . . . 50.0 108.265 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -62.31 -43.27 99.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.037 0.754 . . . . 50.0 113.037 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.23 -38.36 79.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.575 -0.45 . . . . 50.0 111.467 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.0 mt -66.57 -34.73 78.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.019 -0.426 . . . . 50.0 110.561 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -72.56 -31.42 65.24 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.412 -0.218 . . . . 25.0 110.412 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -69.29 -39.2 78.46 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.79 0.329 . . . . 25.0 110.136 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 151.99 164.45 12.28 Favored Glycine 0 C--O 1.219 -0.822 0 CA-C-O 122.531 1.073 . . . . 25.0 115.414 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -90.55 26.6 1.95 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.761 -0.72 . . . . 25.0 112.659 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -116.63 131.14 57.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.167 0.803 . . . . 50.0 113.167 -174.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -131.8 26.81 4.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.109 -1.441 . . . . 50.0 107.109 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -65.42 -24.92 67.32 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.432 -0.804 . . . . 50.0 111.196 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -114.87 37.97 3.3 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.008 0.908 . . . . 50.0 110.069 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -113.56 44.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.574 -0.739 . . . . 25.0 109.018 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.98 147.76 98.65 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-O 121.286 0.565 . . . . 50.0 111.453 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -78.22 153.58 28.14 Favored 'Trans proline' 0 C--N 1.346 0.432 0 CA-C-O 121.337 0.474 . . . . 50.0 111.305 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -119.66 -92.41 1.38 Allowed Glycine 0 C--O 1.227 -0.324 0 N-CA-C 115.153 0.821 . . . . 25.0 115.153 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 56.7 t -79.48 126.0 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 122.085 -0.656 . . . . 50.0 110.74 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 2.9 t 68.76 174.22 0.29 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.641 1.176 . . . . 25.0 113.141 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -179.0 -176.14 46.59 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 110.787 -0.925 . . . . 25.0 110.787 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -69.6 148.88 48.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.958 0.409 . . . . 25.0 110.159 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -144.85 176.03 9.76 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.49 -1.67 . . . . 50.0 106.49 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 69.03 170.8 0.3 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.671 1.189 . . . . 25.0 113.075 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -105.75 -76.72 0.6 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.338 -0.846 . . . . 50.0 112.242 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -64.06 -30.05 71.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.314 0.578 . . . . 25.0 111.929 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.55 -33.77 83.12 Favored Glycine 0 C--O 1.222 -0.6 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.174 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -66.14 -44.51 83.98 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 122.289 -0.536 . . . . 50.0 110.315 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.0 mmt-85 -65.25 -36.63 84.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.604 -0.517 . . . . 50.0 109.604 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.0 -46.24 82.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.317 -0.402 . . . . 25.0 110.608 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -37.19 84.33 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 120.794 -0.362 . . . . 50.0 110.843 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -59.97 -35.13 74.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.494 0.588 . . . . 50.0 110.422 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.46 -49.48 50.78 Favored Glycine 0 C--O 1.214 -1.113 0 N-CA-C 108.103 -1.999 . . . . 50.0 108.103 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.53 64.41 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -74.13 -43.48 57.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.017 0.437 . . . . 50.0 110.739 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.13 99.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.189 0.519 . . . . 25.0 109.958 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.8 m -70.07 -31.42 47.59 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.322 0 C-N-CA 120.37 -0.532 . . . . 50.0 109.982 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.9 76.44 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.876 0.762 . . . . 25.0 111.019 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.05 85.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -71.98 -31.7 66.51 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.693 -0.23 . . . . 25.0 111.148 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.409 ' HA ' HG11 ' A' ' 476' ' ' VAL . 55.6 mm-40 -71.52 -44.76 64.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.924 -0.485 . . . . 50.0 110.676 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -65.47 -28.5 69.25 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.845 -0.798 . . . . 50.0 108.845 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.79 -51.91 29.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.158 -0.474 . . . . 50.0 110.635 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.409 HG11 ' HA ' ' A' ' 473' ' ' GLN . 12.1 p -62.99 -35.52 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.366 0.603 . . . . 50.0 109.51 -176.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -62.84 -37.06 85.31 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.795 -0.639 . . . . 25.0 110.433 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.88 87.91 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.187 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.09 -35.22 67.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.715 -0.476 . . . . 50.0 109.715 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.33 -27.52 64.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.11 -43.43 19.44 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 120.984 0.421 . . . . 50.0 110.786 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 40.4 mtm -59.77 -24.63 64.24 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 115.934 -0.575 . . . . 50.0 112.158 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.1 p -78.8 -23.8 44.94 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.268 -0.973 . . . . 25.0 109.978 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -89.84 -43.72 10.43 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.978 -0.556 . . . . 50.0 110.74 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -66.57 -20.24 65.96 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.711 -0.848 . . . . 50.0 108.711 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -105.23 2.57 40.39 Favored Glycine 0 C--O 1.224 -0.474 0 CA-C-N 115.664 -0.698 . . . . 25.0 112.689 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 35.35 58.72 0.81 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.32 1.048 . . . . 50.0 111.907 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -67.93 63.67 0.08 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 116.762 2.134 . . . . 25.0 116.762 -173.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -81.7 61.98 4.57 Favored Glycine 0 C--O 1.225 -0.434 0 N-CA-C 110.513 -1.035 . . . . 25.0 110.513 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 124.924 2.297 . . . . 25.0 112.754 -177.154 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.912 0 CA-C-O 125.064 2.48 . . . . 25.0 110.739 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 80.4 p -76.05 -14.47 60.21 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 112.403 -1.899 . . . . 25.0 111.802 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 59.27 22.75 11.08 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.082 0.953 . . . . 50.0 111.65 -177.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 42.8 t -85.26 153.04 22.86 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.603 -1.629 . . . . 25.0 106.603 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -69.79 152.49 44.53 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 106.728 -1.582 . . . . 50.0 106.728 175.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 43.6 t -84.59 149.57 25.79 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 107.56 -1.274 . . . . 50.0 107.56 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.47 -20.66 62.85 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.691 -1.141 . . . . 50.0 109.558 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.94 -32.67 77.69 Favored Glycine 0 C--O 1.219 -0.838 0 N-CA-C 110.499 -1.04 . . . . 50.0 110.499 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.43 -35.83 82.09 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 108.584 -0.895 . . . . 50.0 108.584 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.66 -35.87 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.172 0.511 . . . . 50.0 110.086 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 60.4 m -65.39 -40.78 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.038 -0.414 . . . . 50.0 110.026 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.52 -35.73 73.35 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 49.8 ttm -59.85 -40.6 89.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.924 0.392 . . . . 50.0 110.851 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.2 -33.41 75.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.214 0.53 . . . . 25.0 110.149 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.36 -36.74 71.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 87.8 t -64.54 -45.58 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 109.494 -0.558 . . . . 50.0 109.494 178.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -57.87 -47.25 83.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.327 0.584 . . . . 50.0 110.206 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.39 96.21 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 122.128 -0.357 . . . . 25.0 110.571 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.39 79.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.124 -0.489 . . . . 25.0 112.031 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -68.99 -34.78 75.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.758 -0.777 . . . . 50.0 110.333 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.46 -44.67 93.81 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.796 -0.446 . . . . 50.0 109.796 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -73.88 -32.12 63.46 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.186 -1.006 . . . . 50.0 113.259 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 56.5 mtm -65.4 -33.81 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.507 0.594 . . . . 50.0 109.673 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.6 m -59.35 -36.66 76.13 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -67.35 -40.19 85.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.455 -0.778 . . . . 50.0 109.769 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -64.29 -44.13 92.64 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.607 -0.437 . . . . 50.0 111.786 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.97 -32.19 53.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.72 0.637 . . . . 50.0 112.72 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.9 -22.01 62.31 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 111.699 0.259 . . . . 50.0 111.699 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -95.1 -4.06 46.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.717 0.294 . . . . 25.0 110.932 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -88.92 179.05 6.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.516 0.674 . . . . 25.0 110.548 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -77.04 153.35 41.59 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 109.454 -1.458 . . . . 25.0 109.454 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -66.32 133.85 51.38 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 123.711 1.72 . . . . 25.0 110.789 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.11 -62.3 1.74 Allowed 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 109.958 -3.292 . . . . 50.0 112.839 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 51.32 31.46 7.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.625 0.972 . . . . 50.0 113.625 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -66.47 -34.46 77.98 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.792 0.806 . . . . 50.0 110.781 -174.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -135.78 34.97 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.951 -2.24 . . . . 50.0 104.951 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 49.85 43.64 25.01 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 113.898 -1.501 . . . . 25.0 111.363 -177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.33 140.47 94.59 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 114.836 -1.074 . . . . 50.0 112.797 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.1 171.11 18.95 Favored 'Trans proline' 0 C--N 1.345 0.373 0 CA-C-O 121.574 0.572 . . . . 50.0 112.195 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 85.52 -57.59 4.9 Favored Glycine 0 C--O 1.226 -0.373 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.893 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 30.7 t -117.74 83.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.285 -1.376 . . . . 50.0 107.285 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 77.3 p -142.19 174.25 10.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -136.91 155.7 22.84 Favored Glycine 0 C--O 1.224 -0.516 0 N-CA-C 110.442 -1.063 . . . . 25.0 110.442 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -75.88 -19.21 59.03 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.944 0.402 . . . . 25.0 111.639 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 31.4 t -157.8 161.91 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.325 -1.361 . . . . 50.0 107.325 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -143.36 152.34 41.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.696 -1.594 . . . . 25.0 106.696 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -105.82 -76.66 0.6 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.083 0.468 . . . . 50.0 109.967 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -67.12 -27.04 66.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.23 0.538 . . . . 25.0 111.372 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.58 -33.82 67.94 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-N 115.297 -0.865 . . . . 25.0 112.028 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.6 -41.43 94.76 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 122.099 -0.647 . . . . 50.0 110.992 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -74.8 -34.03 62.33 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.43 -0.508 . . . . 50.0 109.793 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.31 92.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.064 -0.516 . . . . 25.0 109.881 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -38.96 92.84 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 110.197 -0.297 . . . . 50.0 110.197 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -59.76 -34.9 73.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 119.175 0.898 . . . . 50.0 110.558 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.89 -49.41 42.11 Favored Glycine 0 C--O 1.215 -1.055 0 N-CA-C 109.441 -1.464 . . . . 50.0 109.441 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.21 -36.74 66.27 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -76.79 -36.95 56.63 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 113.514 0.931 . . . . 50.0 113.514 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.04 82.26 Favored 'General case' 0 C--N 1.311 -1.073 0 O-C-N 124.505 1.128 . . . . 25.0 110.298 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 24.2 m -69.09 -30.1 45.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.113 -0.494 . . . . 50.0 110.32 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.56 -34.2 64.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.196 0.453 . . . . 25.0 111.414 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.56 87.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.81 0.338 . . . . 25.0 110.221 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.66 -34.56 67.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.65 -0.25 . . . . 25.0 110.785 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG13 ' A' ' 476' ' ' VAL . 39.0 mm-40 -68.43 -45.77 71.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.008 0.432 . . . . 50.0 111.729 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -63.49 -26.58 68.78 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.074 -0.713 . . . . 50.0 109.074 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.76 -51.4 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.851 -0.613 . . . . 50.0 110.726 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 473' ' ' GLN . 11.3 p -63.5 -36.93 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 118.718 0.69 . . . . 50.0 109.492 -176.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -63.49 -35.2 79.67 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.848 -0.615 . . . . 25.0 110.091 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.22 92.7 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.519 -0.472 . . . . 25.0 110.183 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.04 -34.87 61.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 109.763 -0.458 . . . . 50.0 109.763 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.91 64.39 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.439 0.637 . . . . 25.0 109.67 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.35 -42.33 20.69 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.361 0.6 . . . . 50.0 110.383 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.3 mtm -61.13 -26.56 67.76 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-N 116.139 -0.482 . . . . 50.0 111.584 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.1 p -77.47 -37.13 52.0 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 119.323 -0.951 . . . . 25.0 110.325 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -79.17 -27.6 42.69 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.727 -0.389 . . . . 50.0 110.475 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -74.31 -34.87 63.6 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.746 -0.596 . . . . 50.0 110.083 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.54 58.99 Favored Glycine 0 C--O 1.229 -0.184 0 CA-C-O 119.609 -0.55 . . . . 25.0 111.74 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 38.01 49.25 1.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.538 1.135 . . . . 50.0 113.688 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -72.32 165.28 24.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.486 -1.233 . . . . 25.0 110.901 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 148.4 -39.11 0.99 Allowed Glycine 0 C--O 1.226 -0.399 0 N-CA-C 109.836 -1.306 . . . . 25.0 109.836 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.21 -0.993 0 CA-C-O 123.461 1.601 . . . . 25.0 112.549 178.88 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.078 0 CA-C-O 123.85 1.806 . . . . 25.0 113.07 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 17.7 m -63.47 150.48 43.65 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 113.725 -1.237 . . . . 25.0 110.024 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -127.91 155.8 43.62 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 107.795 -1.187 . . . . 50.0 107.795 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 20.9 p -89.45 3.7 51.5 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 123.403 0.44 . . . . 25.0 111.318 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -138.07 150.98 47.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.725 -0.472 . . . . 50.0 109.725 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 66.7 m -87.04 164.45 16.46 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.284 -1.746 . . . . 50.0 106.284 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.41 -10.39 16.34 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 118.115 2.635 . . . . 50.0 118.115 -170.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.91 -33.51 55.02 Favored Glycine 0 C--O 1.223 -0.547 0 N-CA-C 108.612 -1.795 . . . . 50.0 108.612 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -66.97 -36.44 82.21 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 113.662 -1.269 . . . . 50.0 109.531 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.3 -32.25 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.27 0.557 . . . . 50.0 109.609 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 44.0 m -70.9 -38.7 73.0 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.724 -0.391 . . . . 50.0 110.516 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -72.65 -32.9 66.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.613 0.72 . . . . 25.0 109.613 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.6 mtp -60.44 -41.49 94.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.629 -0.714 . . . . 50.0 110.117 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.33 -32.99 74.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.981 0.419 . . . . 25.0 110.686 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.81 60.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.48 -0.327 . . . . 25.0 110.923 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.07 -35.51 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 121.01 -0.276 . . . . 50.0 110.459 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.13 -43.51 82.44 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.837 -0.431 . . . . 50.0 109.837 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.3 88.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.934 -0.306 . . . . 25.0 110.712 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.89 79.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.713 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.13 -44.15 89.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.194 0.521 . . . . 50.0 109.786 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.85 -40.75 96.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.029 -0.532 . . . . 50.0 111.504 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -73.77 -29.24 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.576 -0.85 . . . . 50.0 111.623 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 27.9 mtm -63.49 -37.57 87.79 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.088 -0.383 . . . . 50.0 110.769 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 4.3 m -57.93 -31.88 67.25 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.022 0.915 . . . . 25.0 110.761 176.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -72.01 -36.77 69.81 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.821 -0.549 . . . . 50.0 110.377 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -66.49 -41.62 88.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.266 -1.383 . . . . 50.0 107.266 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.92 -40.1 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.905 -1.043 . . . . 50.0 110.965 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.78 -12.42 60.55 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.041 0.756 . . . . 50.0 113.041 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -118.96 11.84 12.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.94 0.4 . . . . 25.0 110.816 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -97.5 136.35 38.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.263 0.554 . . . . 25.0 111.241 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -82.17 53.82 4.8 Favored Glycine 0 C--O 1.229 -0.172 0 N-CA-C 110.57 -1.012 . . . . 25.0 110.57 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -147.32 -136.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 -177.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . 0.577 ' C ' ' H ' ' A' ' 445' ' ' ASP . 5.3 mtm-85 -79.98 91.78 5.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.338 0.866 . . . . 50.0 113.338 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -85.78 27.97 0.82 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 106.229 -1.767 . . . . 50.0 106.229 168.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . 0.577 ' H ' ' C ' ' A' ' 443' ' ' ARG . 19.5 t0 -73.66 -19.21 60.9 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 126.199 1.799 . . . . 50.0 111.044 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -129.81 73.14 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.514 -1.661 . . . . 50.0 106.514 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -138.1 34.1 2.35 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 113.98 -1.464 . . . . 25.0 107.83 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -64.11 139.25 97.64 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-N 115.713 -0.676 . . . . 50.0 111.366 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -76.29 151.75 34.2 Favored 'Trans proline' 0 C--N 1.348 0.535 0 CA-C-O 121.625 0.594 . . . . 50.0 112.297 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -99.8 -165.83 29.3 Favored Glycine 0 N--CA 1.441 -0.976 0 CA-C-O 123.385 1.547 . . . . 25.0 112.397 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 61.8 t -76.93 133.45 30.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-N 113.176 -1.512 . . . . 50.0 109.612 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 77.4 p -150.6 167.77 26.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 91.03 -156.66 24.52 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.31 -0.471 . . . . 25.0 112.742 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 62.61 179.2 0.14 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.6 1.16 . . . . 25.0 113.633 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 50.2 m -90.45 145.39 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.184 -0.673 . . . . 50.0 109.184 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -135.17 143.16 46.32 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 110.575 -0.157 . . . . 25.0 110.575 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.76 -74.55 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.986 -0.746 . . . . 50.0 108.986 174.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -62.47 -30.07 70.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.377 0.608 . . . . 25.0 111.566 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -58.22 -29.3 62.67 Favored Glycine 0 C--O 1.221 -0.687 0 CA-C-N 115.323 -0.853 . . . . 25.0 112.89 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.86 -36.93 82.68 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 122.065 -0.667 . . . . 50.0 110.958 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -76.42 -32.07 58.28 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.444 -0.502 . . . . 50.0 109.817 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.13 88.02 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.163 -0.31 . . . . 25.0 110.163 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -32.04 73.53 Favored 'General case' 0 C--O 1.213 -0.85 0 O-C-N 121.996 -0.44 . . . . 50.0 110.335 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -61.58 -30.02 70.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.589 -0.694 . . . . 50.0 111.147 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.85 -42.8 37.05 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 107.652 -2.179 . . . . 50.0 107.652 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.6 68.82 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 120.889 0.376 . . . . 25.0 111.165 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.0 -43.11 83.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.038 0.447 . . . . 50.0 111.272 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.25 85.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.875 0.369 . . . . 25.0 110.14 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 14.1 m -68.84 -31.21 49.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 N-CA-C 109.779 -0.452 . . . . 50.0 109.779 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.91 67.61 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 118.279 0.491 . . . . 25.0 111.718 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.93 88.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.85 65.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.82 0.343 . . . . 25.0 110.441 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.405 ' HA ' HG12 ' A' ' 476' ' ' VAL . 37.6 mm-40 -68.97 -44.49 72.82 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.926 0.343 . . . . 50.0 111.926 -177.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 46.3 ptt85 -64.42 -28.75 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.834 -0.802 . . . . 50.0 108.834 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.71 -53.37 11.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.352 -0.84 . . . . 50.0 110.856 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.405 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -62.58 -36.73 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 118.599 0.636 . . . . 50.0 109.524 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -63.43 -36.53 84.03 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.175 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.98 91.03 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.506 -0.478 . . . . 25.0 110.198 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.13 -33.26 41.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.374 -0.53 . . . . 50.0 109.914 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.02 -29.53 67.33 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.3 -44.8 35.38 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 109.616 -0.513 . . . . 50.0 109.616 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 41.1 mtm -62.11 -31.37 71.82 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.362 0.601 . . . . 50.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 29.7 p -80.22 -31.33 38.64 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.408 -0.917 . . . . 25.0 110.006 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -79.95 -30.92 39.98 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 119.578 -0.849 . . . . 50.0 110.543 175.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.81 -35.34 79.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 118.682 0.674 . . . . 50.0 109.633 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -66.75 -13.43 61.26 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 121.14 -0.552 . . . . 25.0 114.037 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -125.28 19.62 8.19 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 117.324 0.562 . . . . 50.0 111.17 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -74.83 9.07 2.03 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.055 1.131 . . . . 25.0 114.055 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -79.16 41.31 2.22 Favored Glycine 0 C--O 1.221 -0.703 0 CA-C-O 121.602 0.557 . . . . 25.0 113.216 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.209 -1.072 0 CA-C-O 123.073 1.416 . . . . 25.0 114.754 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.789 0 CA-C-O 123.412 1.562 . . . . 25.0 113.645 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.95 143.41 37.94 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.635 -0.782 . . . . 25.0 112.075 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -119.76 111.4 17.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 115.416 1.636 . . . . 50.0 115.416 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 2.8 m 64.63 178.41 0.18 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.078 1.51 . . . . 25.0 115.078 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -81.75 51.22 1.66 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.065 1.135 . . . . 50.0 114.065 -176.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.65 32.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.55 -0.719 . . . . 50.0 111.712 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 60.07 -62.49 0.06 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 116.879 2.177 . . . . 50.0 116.879 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.1 -32.86 83.63 Favored Glycine 0 C--O 1.22 -0.732 0 N-CA-C 109.055 -1.618 . . . . 50.0 109.055 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -63.07 -36.72 84.54 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 114.831 -0.684 . . . . 50.0 110.053 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 18.3 t -71.8 -36.04 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.633 -0.506 . . . . 50.0 109.633 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 57.6 m -65.6 -38.33 89.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.439 -0.346 . . . . 50.0 110.443 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.38 -36.21 68.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.359 0.599 . . . . 25.0 109.461 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 44.1 ttm -60.39 -38.27 83.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.073 -0.512 . . . . 50.0 110.139 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.46 74.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 25.0 110.685 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.14 70.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.89 -42.89 92.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.179 -0.674 . . . . 50.0 109.179 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -59.44 -42.93 93.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 50.0 110.205 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.46 94.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.407 -0.22 . . . . 25.0 110.407 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.11 97.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.681 -0.236 . . . . 25.0 110.948 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.1 -44.58 96.34 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.679 0.752 . . . . 50.0 109.511 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.77 -41.48 99.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.684 -0.689 . . . . 50.0 112.41 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -75.8 -32.17 59.75 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 119.631 -0.828 . . . . 50.0 111.627 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 59.0 mtm -65.32 -33.3 75.66 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.103 -0.373 . . . . 50.0 110.167 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.7 m -56.85 -38.21 72.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.335 0.588 . . . . 25.0 109.582 176.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -67.9 -36.2 79.8 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.421 -0.799 . . . . 50.0 110.575 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -66.46 -44.12 83.63 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.796 -0.362 . . . . 50.0 110.779 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 20.6 m -69.33 -31.59 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.771 0.656 . . . . 50.0 112.771 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.06 -54.81 41.53 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.165 -0.68 . . . . 50.0 109.165 177.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -62.76 -36.08 81.89 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.307 0.484 . . . . 25.0 112.307 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.81 65.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -177.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 135.08 46.69 0.09 OUTLIER Glycine 0 C--O 1.242 0.595 0 N-CA-C 116.027 1.171 . . . . 25.0 116.027 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -79.54 77.38 6.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 176.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 53.64 -119.36 1.48 Allowed 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.787 -1.19 . . . . 50.0 107.787 -175.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -137.67 30.71 2.57 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.076 -1.824 . . . . 50.0 106.076 176.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.91 -29.07 67.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.222 -0.899 . . . . 50.0 109.763 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -139.47 63.25 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.5 -1.296 . . . . 50.0 107.5 177.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -94.76 43.19 1.09 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.301 -0.863 . . . . 25.0 109.291 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -122.71 150.29 58.04 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.771 0.32 . . . . 50.0 111.17 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -79.45 2.74 8.1 Favored 'Trans proline' 0 C--N 1.348 0.527 0 N-CA-C 113.828 0.665 . . . . 50.0 113.828 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 126.94 146.57 6.52 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.954 -0.859 . . . . 25.0 110.954 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.66 -29.34 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.792 0.806 . . . . 50.0 111.606 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 42.8 m -70.86 147.0 49.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.166 0.508 . . . . 25.0 112.354 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 155.1 -40.96 0.61 Allowed Glycine 0 C--O 1.226 -0.359 0 N-CA-C 111.589 -0.604 . . . . 25.0 111.589 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 59.89 7.05 1.02 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.68 1.733 . . . . 25.0 115.68 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.6 t -151.46 139.35 19.93 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.189 -1.041 . . . . 50.0 108.189 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -160.66 151.35 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -108.82 -62.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.04 0.448 . . . . 50.0 111.09 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -57.58 -43.0 84.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.927 0.87 . . . . 25.0 111.917 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.57 -29.35 66.61 Favored Glycine 0 C--O 1.219 -0.811 0 CA-C-N 114.506 -1.225 . . . . 25.0 113.926 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -67.65 -42.11 82.77 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 118.333 1.067 . . . . 50.0 110.084 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -70.62 -31.49 68.47 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.947 -0.701 . . . . 50.0 109.353 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.81 -45.48 86.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -39.97 94.08 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.699 -0.401 . . . . 50.0 110.335 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -62.76 -34.43 77.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 118.749 0.704 . . . . 50.0 111.096 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.41 -47.93 67.02 Favored Glycine 0 C--O 1.22 -0.748 0 N-CA-C 108.29 -1.924 . . . . 50.0 108.29 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.26 -39.54 69.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.643 0.258 . . . . 25.0 111.299 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -65.46 -44.71 86.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.999 0.428 . . . . 50.0 110.853 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.91 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.06 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.6 m -70.36 -27.18 30.83 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 C-N-CA 120.444 -0.503 . . . . 50.0 110.695 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.77 70.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.503 0.592 . . . . 25.0 110.359 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.57 84.01 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.1 66.64 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 120.563 0.221 . . . . 25.0 111.028 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -68.91 -45.23 71.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.884 -0.51 . . . . 50.0 111.722 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.07 -26.7 68.67 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.375 -0.602 . . . . 50.0 109.375 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.3 tp -74.57 -51.16 15.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.62 -0.718 . . . . 50.0 111.375 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 11.3 p -63.26 -36.85 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 118.616 0.643 . . . . 50.0 109.495 -176.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -64.8 -34.69 78.95 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.707 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.7 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.773 -0.58 . . . . 25.0 110.088 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.64 -34.83 58.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.622 -0.51 . . . . 50.0 109.622 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.95 -26.56 64.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.349 0.595 . . . . 25.0 109.476 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -80.81 -42.21 22.05 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 109.669 -0.493 . . . . 50.0 109.669 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.6 mtm -60.94 -30.76 70.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.8 0.333 . . . . 50.0 111.458 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 32.8 p -75.33 -36.87 61.0 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.655 -0.818 . . . . 25.0 109.889 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -82.65 -26.46 32.13 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.479 -0.488 . . . . 50.0 111.355 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.62 -33.94 69.4 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 118.901 0.773 . . . . 50.0 110.309 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -72.07 -25.4 74.75 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.377 -0.916 . . . . 25.0 113.285 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -142.96 65.63 1.34 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.05 0.453 . . . . 50.0 110.063 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -66.65 141.33 57.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.907 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -85.61 2.86 87.81 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-O 121.704 0.613 . . . . 25.0 113.11 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.213 -0.85 0 CA-C-O 123.028 1.394 . . . . 25.0 109.682 179.404 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 123.237 1.465 . . . . 25.0 112.941 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 44.0 m -81.9 147.95 29.02 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.055 -1.262 . . . . 25.0 109.827 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -66.41 151.44 47.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.259 -1.015 . . . . 50.0 108.259 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 70.8 m -137.38 161.49 36.16 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 105.363 -2.088 . . . . 25.0 105.363 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -160.1 159.3 31.67 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.952 -1.129 . . . . 50.0 107.952 -177.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 11.5 t -87.59 30.81 0.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.27 0.628 . . . . 50.0 112.148 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 62.77 -46.43 0.2 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 118.277 2.695 . . . . 50.0 118.277 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.29 -30.35 77.59 Favored Glycine 0 C--O 1.22 -0.726 0 N-CA-C 109.722 -1.351 . . . . 50.0 109.722 178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.97 -22.44 66.93 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 115.085 -0.558 . . . . 50.0 111.421 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 48.9 t -74.24 -32.9 33.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.803 -0.814 . . . . 50.0 108.803 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.5 m -68.37 -38.44 81.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -70.02 -33.32 71.86 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.252 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 42.0 ttm -62.37 -37.14 84.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.732 0.301 . . . . 50.0 110.601 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.96 -34.05 77.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.44 -36.0 73.7 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.81 -44.33 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 109.603 -0.517 . . . . 50.0 109.603 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -60.78 -43.71 97.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.143 0.497 . . . . 50.0 109.8 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.22 91.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.746 -0.596 . . . . 25.0 110.55 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.73 79.57 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.787 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.66 -31.08 71.53 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.031 -0.668 . . . . 50.0 110.532 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.36 -45.64 83.33 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.727 -0.389 . . . . 50.0 110.057 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -73.7 -30.3 62.77 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.776 -0.77 . . . . 50.0 111.0 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 5.4 tpp -59.41 -44.48 92.82 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 56.6 m -60.16 -40.71 90.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.304 0.574 . . . . 25.0 111.081 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.33 -43.56 98.54 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.474 0.654 . . . . 50.0 109.923 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.48 -43.69 84.72 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.041 -0.981 . . . . 50.0 110.943 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.01 -37.18 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 124.29 1.036 . . . . 50.0 112.797 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.27 -17.83 63.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.539 0.57 . . . . 50.0 112.539 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -118.51 20.57 12.96 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 122.71 0.404 . . . . 25.0 110.95 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -132.94 175.82 9.03 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.851 0.834 . . . . 25.0 112.125 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -85.94 82.07 1.68 Allowed Glycine 0 C--O 1.222 -0.603 0 CA-C-N 115.56 -0.746 . . . . 25.0 112.159 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -125.13 127.52 46.99 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -137.77 162.85 32.84 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.056 -0.72 . . . . 50.0 109.056 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -88.71 40.21 0.96 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 107.584 -1.265 . . . . 50.0 107.584 174.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 11.2 t70 59.54 -60.08 0.05 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.677 1.991 . . . . 50.0 115.131 -172.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -147.65 35.9 0.87 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.416 -0.957 . . . . 50.0 108.416 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 53.54 47.19 24.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.547 -1.206 . . . . 25.0 112.453 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -51.88 129.24 37.76 Favored Pre-proline 0 C--O 1.243 0.75 0 CA-C-N 115.649 -0.705 . . . . 50.0 112.035 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -79.23 130.3 9.13 Favored 'Trans proline' 0 C--N 1.346 0.43 0 CA-C-O 122.015 0.756 . . . . 50.0 113.788 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -165.76 138.94 5.5 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.557 -1.017 . . . . 25.0 110.557 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.27 117.55 53.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.481 -0.933 . . . . 50.0 108.481 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 11.6 t 68.44 152.49 0.09 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.84 1.256 . . . . 25.0 110.91 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -78.82 -12.9 83.7 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 120.581 -0.819 . . . . 25.0 111.509 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -170.35 -76.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.2 m -157.67 -57.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.375 -0.829 . . . . 50.0 109.303 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 67.09 143.93 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 126.01 1.724 . . . . 25.0 112.431 -177.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -105.86 -74.58 0.65 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.842 -0.536 . . . . 50.0 111.339 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -60.28 -29.83 69.07 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.49 -33.9 88.5 Favored Glycine 0 C--O 1.226 -0.364 0 C-N-CA 120.759 -0.734 . . . . 25.0 111.332 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.59 -45.16 76.3 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 108.391 -0.966 . . . . 50.0 108.391 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 62.8 mmt-85 -62.34 -38.48 89.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 50.0 110.14 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.83 81.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.19 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -37.65 85.44 Favored 'General case' 0 C--O 1.214 -0.809 0 C-N-CA 120.489 -0.484 . . . . 50.0 110.569 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.54 -36.68 76.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.327 0.512 . . . . 50.0 110.059 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.56 -48.81 54.73 Favored Glycine 0 C--O 1.218 -0.898 0 N-CA-C 108.712 -1.755 . . . . 50.0 108.712 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.83 -37.84 64.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -71.21 -41.79 69.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.07 0.462 . . . . 50.0 110.952 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.03 81.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.167 0.508 . . . . 25.0 110.57 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.17 -26.55 32.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 116.547 -0.297 . . . . 50.0 110.523 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.64 -33.82 66.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.143 0.429 . . . . 25.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.33 90.56 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.802 -0.444 . . . . 25.0 109.802 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.79 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.65 -0.25 . . . . 25.0 110.719 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.429 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.8 mm-40 -70.79 -46.05 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.974 -0.454 . . . . 50.0 111.693 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.19 -27.66 69.51 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.827 -0.805 . . . . 50.0 108.827 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.17 -52.27 14.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.775 -0.648 . . . . 50.0 111.052 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.8 p -63.2 -36.23 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.754 0.706 . . . . 50.0 109.617 -176.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.79 -35.2 79.83 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.277 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.18 97.7 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.539 -0.464 . . . . 25.0 110.129 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.9 -34.26 55.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.745 -0.465 . . . . 50.0 109.745 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.93 63.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.407 0.623 . . . . 25.0 109.734 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.3 mt -80.35 -42.34 23.08 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 121.131 0.491 . . . . 50.0 109.931 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.2 mtm -62.44 -27.6 69.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.972 0.415 . . . . 50.0 111.685 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.4 p -77.37 -33.17 55.29 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.441 -0.903 . . . . 25.0 110.556 -175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.58 -35.33 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.48 -0.488 . . . . 50.0 110.181 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -68.93 -24.01 64.23 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.948 -0.47 . . . . 50.0 110.368 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -69.31 -8.36 59.0 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.78 -0.724 . . . . 25.0 112.46 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -134.83 18.54 3.52 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.069 0.435 . . . . 50.0 111.911 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -149.26 144.62 26.62 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -70.86 -20.3 77.53 Favored Glycine 0 C--O 1.225 -0.453 0 CA-C-O 122.097 0.831 . . . . 25.0 112.181 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--O 1.211 -0.924 0 CA-C-O 123.403 1.573 . . . . 25.0 109.174 179.347 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.83 0 CA-C-O 125.044 2.469 . . . . 25.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 51.1 m -67.53 135.76 53.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 112.5 -1.85 . . . . 25.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -98.8 -21.91 16.11 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.031 -0.729 . . . . 50.0 109.031 175.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 27.3 m -91.07 158.11 16.85 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 105.474 -2.047 . . . . 25.0 105.474 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -62.16 125.25 23.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.587 0.708 . . . . 50.0 111.363 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.5 t -85.23 40.21 0.81 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.946 0.721 . . . . 50.0 112.946 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 61.11 -57.53 0.1 Allowed 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 117.059 2.244 . . . . 50.0 117.059 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.04 -24.86 74.54 Favored Glycine 0 C--O 1.223 -0.587 0 N-CA-C 107.889 -2.084 . . . . 50.0 107.889 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -62.67 -28.26 69.81 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.347 -0.927 . . . . 50.0 110.981 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.52 -33.42 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.985 -0.447 . . . . 50.0 109.9 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 36.6 m -69.17 -36.9 77.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.819 -0.551 . . . . 50.0 110.882 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.22 -31.25 60.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 55.0 ttp -63.38 -42.49 98.85 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 108.795 -0.817 . . . . 50.0 108.795 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.2 -32.56 74.31 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.236 0.541 . . . . 25.0 110.726 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.78 -46.23 63.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.743 0.306 . . . . 25.0 111.166 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.95 -33.08 53.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 122.387 -0.195 . . . . 50.0 110.755 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -57.2 -45.68 83.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.267 -0.642 . . . . 50.0 109.267 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.35 85.28 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.815 -0.553 . . . . 25.0 110.486 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.81 79.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.081 -0.508 . . . . 25.0 111.823 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.7 -31.61 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.585 -0.697 . . . . 50.0 109.668 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.59 -43.64 98.3 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.641 -0.424 . . . . 50.0 109.858 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -73.7 -32.48 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.219 -0.992 . . . . 50.0 112.474 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 50.5 mtm -66.62 -33.97 76.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.228 0.467 . . . . 50.0 110.315 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.8 m -58.56 -36.68 74.28 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -65.84 -41.39 91.81 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.547 -0.72 . . . . 50.0 109.83 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -63.39 -44.94 93.25 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.726 -0.39 . . . . 50.0 111.555 -178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.2 m -70.29 -34.68 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.887 0.699 . . . . 50.0 112.887 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 73.4 mt -69.78 -21.97 63.38 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.151 0.426 . . . . 50.0 112.151 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -96.17 -5.61 40.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.991 0.424 . . . . 25.0 111.315 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -80.06 165.44 22.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.266 0.555 . . . . 25.0 110.103 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -81.57 47.35 3.62 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 116.491 -0.322 . . . . 25.0 112.733 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -74.41 95.15 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 123.305 0.642 . . . . 25.0 111.088 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -79.63 138.46 37.42 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.911 -0.774 . . . . 50.0 108.911 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -132.53 24.34 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.966 0.888 . . . . 50.0 109.331 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.81 -28.05 69.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.458 -1.246 . . . . 50.0 110.554 -177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -114.71 35.21 4.37 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.776 -0.647 . . . . 50.0 110.557 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -111.27 45.9 1.14 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -174.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -66.86 139.45 95.7 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 120.718 -0.393 . . . . 50.0 110.776 178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -76.77 90.66 1.21 Allowed 'Trans proline' 0 CA--C 1.539 0.74 0 N-CA-C 114.381 0.877 . . . . 50.0 114.381 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -74.46 59.44 2.43 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 114.999 0.759 . . . . 25.0 114.999 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.71 131.71 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.163 -0.681 . . . . 50.0 109.163 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 32.4 t -148.73 165.85 30.15 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -158.2 167.28 34.39 Favored Glycine 0 C--O 1.224 -0.477 0 N-CA-C 109.614 -1.395 . . . . 25.0 109.614 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 61.7 -10.77 0.07 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 116.435 2.013 . . . . 25.0 116.435 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.1 t -73.02 9.06 1.29 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.152 1.167 . . . . 50.0 114.152 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -139.46 139.97 37.16 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -104.64 -75.11 0.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.763 -0.458 . . . . 50.0 109.763 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -61.02 -29.15 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.38 0.61 . . . . 25.0 111.567 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.57 -33.74 67.68 Favored Glycine 0 C--O 1.224 -0.502 0 CA-C-N 115.41 -0.814 . . . . 25.0 112.328 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -63.32 -40.88 98.55 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 122.041 -0.682 . . . . 50.0 110.708 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -66.34 -34.78 78.75 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.149 -0.62 . . . . 50.0 109.828 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.17 83.86 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -37.27 85.84 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.869 -0.333 . . . . 50.0 110.593 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.91 -32.39 72.78 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.725 -0.609 . . . . 50.0 111.004 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.07 -47.04 76.48 Favored Glycine 0 C--O 1.22 -0.726 0 N-CA-C 107.968 -2.053 . . . . 50.0 107.968 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.37 -39.03 63.89 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.994 0.426 . . . . 25.0 112.137 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -67.44 -42.29 83.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.11 0.481 . . . . 50.0 111.893 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.18 72.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.191 0.52 . . . . 25.0 111.265 -177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 23.0 m -67.95 -26.7 35.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 CA-C-N 116.187 -0.46 . . . . 50.0 111.136 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -51.25 -38.07 50.57 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.1 -36.75 85.03 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.955 0.407 . . . . 25.0 110.752 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -31.8 65.3 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.214 -0.304 . . . . 25.0 110.259 176.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.442 ' HA ' HG13 ' A' ' 476' ' ' VAL . 60.8 mm-40 -71.23 -46.13 61.75 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 122.178 -0.326 . . . . 50.0 111.682 -177.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -61.32 -29.84 70.13 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.696 -0.853 . . . . 50.0 108.696 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -51.37 21.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.492 . . . . 50.0 110.497 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.442 HG13 ' HA ' ' A' ' 473' ' ' GLN . 12.8 p -64.58 -35.62 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 108.95 -0.759 . . . . 50.0 108.95 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -63.59 -36.81 85.02 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.284 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.56 83.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.41 -34.5 66.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.88 -30.19 68.84 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.73 -42.8 27.28 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 120.811 0.339 . . . . 50.0 110.958 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 30.6 mtm -58.25 -24.95 61.02 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.168 0.509 . . . . 50.0 111.709 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 42.6 p -82.3 -20.17 37.96 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.439 -0.904 . . . . 25.0 110.994 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -89.29 -35.15 16.3 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.412 -0.958 . . . . 50.0 108.412 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -64.29 -23.53 67.33 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.703 -1.221 . . . . 50.0 107.703 173.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -76.3 -2.99 75.56 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.124 -0.489 . . . . 25.0 112.213 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -125.55 8.44 7.68 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.16 0.584 . . . . 50.0 109.775 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -73.83 153.86 39.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -81.57 8.68 58.36 Favored Glycine 0 C--O 1.228 -0.237 0 CA-C-O 121.906 0.726 . . . . 25.0 113.046 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.212 -0.911 0 CA-C-O 123.743 1.735 . . . . 25.0 112.008 -178.594 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 CA-C-O 121.896 0.72 . . . . 25.0 112.833 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 24.1 p 63.64 -174.14 0.16 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.531 1.533 . . . . 25.0 111.305 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 55.64 44.56 26.32 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.71 0.767 . . . . 50.0 110.365 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 91.7 p -147.3 167.74 23.53 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.413 -1.329 . . . . 25.0 107.413 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -74.04 163.73 27.52 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.242 -1.022 . . . . 50.0 108.242 176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.5 p -99.25 154.98 17.74 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.146 -1.427 . . . . 50.0 107.146 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.7 -13.3 60.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.414 -0.812 . . . . 50.0 111.436 -175.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -69.25 -42.11 76.62 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 109.209 -1.556 . . . . 50.0 109.209 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.85 -38.96 92.89 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.11 -0.7 . . . . 50.0 109.11 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.29 -34.51 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.191 -0.459 . . . . 50.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.9 m -66.48 -43.84 84.32 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.171 -0.33 . . . . 50.0 110.969 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -71.92 -34.24 68.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.03 0.443 . . . . 25.0 109.928 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttp -64.83 -39.14 93.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.263 -0.426 . . . . 50.0 110.115 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -69.74 -35.12 74.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.103 0.478 . . . . 25.0 110.307 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -66.51 -46.49 76.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.268 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.48 -36.79 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 121.002 -0.279 . . . . 50.0 110.473 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -58.1 -47.17 84.04 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.792 -0.447 . . . . 50.0 109.792 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.76 90.83 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.183 -0.323 . . . . 25.0 110.905 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.34 72.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.847 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.92 -31.17 67.72 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.75 -0.78 . . . . 50.0 110.412 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.8 -44.67 96.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.083 -0.247 . . . . 50.0 110.415 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -73.74 -37.83 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.558 -0.857 . . . . 50.0 111.596 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 60.3 mtm -61.26 -40.76 95.29 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 121.957 -0.465 . . . . 50.0 111.409 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 64.8 m -56.76 -35.65 68.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.254 0.549 . . . . 25.0 111.504 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -68.63 -47.57 66.28 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.74 -0.6 . . . . 50.0 109.876 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -39.34 94.31 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.607 -0.886 . . . . 50.0 108.607 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.37 -49.21 84.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.447 -0.797 . . . . 50.0 110.654 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.32 -42.64 99.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.044 -0.41 . . . . 50.0 111.303 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -69.99 -19.23 63.35 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.156 0.428 . . . . 25.0 112.156 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.21 -1.93 28.81 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 120.568 0.223 . . . . 25.0 111.016 176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 101.14 14.55 30.58 Favored Glycine 0 C--O 1.228 -0.233 0 C-N-CA 121.544 -0.36 . . . . 25.0 113.924 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -79.92 73.71 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.477 0.656 . . . . 25.0 111.189 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -147.04 157.07 43.5 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.857 -0.611 . . . . 50.0 111.144 -176.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -93.86 17.82 11.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.917 -0.583 . . . . 50.0 110.088 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . 0.401 ' C ' ' H ' ' A' ' 447' ' ' ALA . 24.2 t0 65.97 -47.2 0.41 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.972 2.109 . . . . 50.0 112.407 -171.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -79.76 47.78 0.89 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.824 1.25 . . . . 50.0 108.145 172.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . 0.401 ' H ' ' C ' ' A' ' 445' ' ' ASP . . . -109.29 50.83 0.77 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.84 -1.073 . . . . 25.0 108.328 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.28 146.94 97.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.668 -0.696 . . . . 50.0 110.348 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -77.23 172.6 15.75 Favored 'Trans proline' 0 C--N 1.345 0.367 0 CA-C-O 121.275 0.448 . . . . 50.0 111.455 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -84.62 -170.94 47.62 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 124.094 1.941 . . . . 25.0 110.111 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.2 87.12 2.42 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 CA-C-N 112.317 -1.941 . . . . 50.0 110.784 -175.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 6.1 t 57.4 -147.66 0.51 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.143 -0.935 . . . . 25.0 111.802 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -139.03 -152.1 5.85 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 109.982 -1.247 . . . . 25.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -56.23 136.21 53.08 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.14 0.495 . . . . 25.0 110.082 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.6 m -73.5 85.6 1.54 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.937 -0.574 . . . . 50.0 112.006 -178.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 68.82 165.99 0.26 Allowed 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 125.365 1.466 . . . . 25.0 112.263 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -105.89 -76.76 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.532 0.682 . . . . 50.0 110.357 177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -66.3 -28.31 68.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.279 0.561 . . . . 25.0 112.013 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.42 -33.7 82.22 Favored Glycine 0 C--O 1.223 -0.542 0 CA-C-N 115.591 -0.732 . . . . 25.0 111.976 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -64.57 -46.76 81.34 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 122.331 -0.511 . . . . 50.0 110.333 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -66.59 -35.18 79.57 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.606 -0.438 . . . . 50.0 109.975 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.91 92.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.366 -0.379 . . . . 25.0 110.201 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -37.21 84.28 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 120.739 -0.384 . . . . 50.0 110.353 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -59.66 -34.76 73.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 118.854 0.752 . . . . 50.0 110.721 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.68 -48.62 54.99 Favored Glycine 0 C--O 1.216 -0.999 0 N-CA-C 108.343 -1.903 . . . . 50.0 108.343 176.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.78 -37.06 65.57 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -71.04 -43.38 67.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.176 0.513 . . . . 50.0 110.812 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.92 92.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 25.0 110.189 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.4 m -69.8 -31.45 48.38 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.171 0 C-N-CA 120.43 -0.508 . . . . 50.0 109.825 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.8 72.34 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.704 0.684 . . . . 25.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.54 84.62 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 177.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.73 67.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.52 0.2 . . . . 25.0 111.404 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.402 ' HA ' HG11 ' A' ' 476' ' ' VAL . 44.0 mm-40 -69.53 -44.56 70.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.183 0.516 . . . . 50.0 111.11 -178.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 49.7 ptt85 -65.83 -28.14 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.166 -0.679 . . . . 50.0 109.166 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -51.57 27.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.67 -0.695 . . . . 50.0 110.608 177.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.402 HG11 ' HA ' ' A' ' 473' ' ' GLN . 11.8 p -62.83 -35.96 73.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 118.555 0.616 . . . . 50.0 109.432 -176.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -62.87 -35.82 81.25 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.745 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.77 90.84 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.797 -0.361 . . . . 25.0 110.372 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -69.66 -35.3 65.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.677 -0.49 . . . . 50.0 109.677 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.97 63.75 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.32 -42.38 20.67 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.028 0.442 . . . . 50.0 111.146 175.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 40.7 mtm -59.36 -24.76 63.67 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 115.857 -0.611 . . . . 50.0 111.58 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 40.1 p -78.83 -27.38 44.28 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 119.549 -0.86 . . . . 25.0 110.174 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -81.68 -36.66 28.48 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.957 -0.757 . . . . 50.0 108.957 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -65.86 -22.5 66.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.979 -1.119 . . . . 50.0 107.979 173.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -96.0 6.65 66.84 Favored Glycine 0 C--O 1.229 -0.201 0 CA-C-N 115.578 -0.737 . . . . 25.0 111.476 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 45.9 39.55 5.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.882 1.273 . . . . 50.0 113.408 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -114.55 167.47 10.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.638 -0.71 . . . . 25.0 109.384 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -175.31 -50.16 0.06 OUTLIER Glycine 0 C--O 1.222 -0.634 0 N-CA-C 111.439 -0.664 . . . . 25.0 111.439 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 124.847 2.261 . . . . 25.0 112.879 179.452 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.126 0 CA-C-O 123.89 1.828 . . . . 25.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 41.0 m 71.41 149.99 0.09 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 111.14 -2.53 . . . . 25.0 112.034 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -90.07 -3.27 58.04 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.999 -0.438 . . . . 50.0 112.168 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 40.4 p -160.82 157.24 26.41 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.8 -1.185 . . . . 25.0 107.8 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -155.37 160.74 40.93 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.859 -1.904 . . . . 50.0 105.859 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.5 m -89.48 119.66 30.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.849 0.833 . . . . 50.0 110.062 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.36 -36.69 83.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.704 -1.134 . . . . 50.0 112.78 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.74 -35.88 91.56 Favored Glycine 0 C--O 1.222 -0.617 0 C-N-CA 120.725 -0.75 . . . . 50.0 113.022 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.27 -40.03 95.15 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 108.463 -0.94 . . . . 50.0 108.463 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.56 -32.65 50.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.773 -0.648 . . . . 50.0 110.284 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.2 m -66.48 -37.65 85.57 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.806 -0.559 . . . . 50.0 111.837 177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.19 -36.48 61.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.08 0.943 . . . . 25.0 108.832 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 19.0 ttp -66.31 -26.7 67.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.642 -0.708 . . . . 50.0 110.279 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.7 71.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.077 -0.39 . . . . 25.0 110.579 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.43 80.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.255 -1.017 . . . . 25.0 108.255 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.48 -45.42 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.092 -0.707 . . . . 50.0 109.092 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.78 -44.91 86.57 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.699 0.285 . . . . 50.0 110.335 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.2 91.92 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 121.036 -0.266 . . . . 25.0 110.554 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.23 82.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.87 -42.95 97.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 50.0 109.734 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.35 -41.32 98.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.986 -0.552 . . . . 50.0 111.803 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -74.64 -33.68 62.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.102 -1.039 . . . . 50.0 112.021 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 67.7 mtm -66.4 -33.03 74.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.42 0.555 . . . . 50.0 109.921 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.8 m -57.47 -35.7 70.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -67.22 -43.38 82.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.456 -0.777 . . . . 50.0 109.637 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -64.05 -41.65 97.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.345 0.498 . . . . 50.0 112.345 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 22.1 m -69.1 -31.38 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.536 -0.466 . . . . 50.0 111.942 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.08 -36.79 72.38 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -73.65 -10.66 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.96 0.356 . . . . 25.0 111.96 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -72.15 -9.71 58.8 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.804 0.335 . . . . 25.0 110.804 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 105.28 -53.88 0.64 Allowed Glycine 0 C--O 1.23 -0.134 0 N-CA-C 115.312 0.885 . . . . 25.0 115.312 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -160.52 163.94 32.45 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -76.63 143.74 39.96 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 104.827 -2.286 . . . . 50.0 104.827 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -132.22 50.85 2.2 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.068 -1.827 . . . . 50.0 106.068 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -56.43 -36.25 68.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.701 -1.136 . . . . 50.0 110.224 -176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -148.23 35.65 0.82 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 105.813 -1.921 . . . . 50.0 105.813 171.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 49.18 32.22 4.07 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.183 -1.371 . . . . 25.0 113.57 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.74 139.96 96.08 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 113.426 0.899 . . . . 50.0 113.426 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.1 158.47 41.81 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.758 -1.028 . . . . 50.0 110.715 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -76.05 74.16 1.66 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 115.199 0.839 . . . . 25.0 115.199 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 49.0 t -85.03 127.17 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.323 0.582 . . . . 50.0 110.352 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 37.2 p -69.56 134.91 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 85.99 23.12 46.6 Favored Glycine 0 C--O 1.222 -0.655 0 C-N-CA 120.651 -0.785 . . . . 25.0 114.204 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -55.33 -22.72 20.32 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.339 1.237 . . . . 25.0 114.339 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.5 t 53.39 45.0 29.25 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.205 1.557 . . . . 50.0 115.205 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -56.97 139.33 52.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -105.27 -49.58 3.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.991 0.424 . . . . 50.0 110.24 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -61.42 -40.22 93.64 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.94 -31.01 74.75 Favored Glycine 0 C--O 1.22 -0.749 0 CA-C-N 115.382 -0.826 . . . . 25.0 112.187 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -70.62 -35.53 73.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.044 -0.68 . . . . 50.0 109.616 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -69.87 -35.33 74.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.097 -0.705 . . . . 50.0 109.097 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -69.03 -47.0 66.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.574 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.62 -35.2 79.61 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.339 -0.544 . . . . 50.0 111.668 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.68 -26.22 68.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.592 -0.843 . . . . 50.0 110.997 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -76.19 -42.7 23.15 Favored Glycine 0 C--O 1.223 -0.581 0 N-CA-C 108.284 -1.926 . . . . 50.0 108.284 173.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.13 71.53 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.197 0.522 . . . . 25.0 111.731 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.6 -41.86 98.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.046 0.451 . . . . 50.0 110.911 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.73 65.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.348 -0.387 . . . . 25.0 111.162 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.1 m -68.93 -26.57 32.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.115 0 C-N-CA 120.732 -0.387 . . . . 50.0 110.909 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.01 64.49 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.295 0.498 . . . . 25.0 111.719 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.06 74.9 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.73 -38.02 67.57 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.45 ' HA ' HG13 ' A' ' 476' ' ' VAL . 13.3 mt-30 -69.63 -45.42 68.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.287 0.565 . . . . 50.0 112.245 -175.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -62.69 -26.1 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.606 -0.684 . . . . 50.0 109.637 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.28 -50.14 15.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.811 -0.631 . . . . 50.0 110.762 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 473' ' ' GLN . 9.2 p -63.8 -38.7 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.982 -0.748 . . . . 50.0 108.982 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -62.68 -34.22 76.68 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.283 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.56 99.72 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.688 -0.633 . . . . 25.0 110.019 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 476' ' ' VAL . 3.9 mt -71.92 -33.6 48.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 N-CA-C 109.563 -0.532 . . . . 50.0 109.563 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.55 -26.93 62.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.587 0.708 . . . . 25.0 109.841 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.7 mt -80.6 -41.92 23.15 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.477 0.656 . . . . 50.0 109.728 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.2 mtm -63.65 -26.63 68.76 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 116.259 -0.428 . . . . 50.0 111.771 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.2 p -75.5 -37.3 60.24 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.507 -0.877 . . . . 25.0 109.593 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -80.23 -34.89 36.87 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.565 -0.454 . . . . 50.0 110.852 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -71.67 -31.07 66.41 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.875 -0.516 . . . . 50.0 109.916 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -84.63 10.5 61.89 Favored Glycine 0 C--O 1.227 -0.325 0 CA-C-N 116.43 -0.35 . . . . 25.0 112.869 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 54.49 32.39 16.67 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.454 0.909 . . . . 50.0 113.454 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -102.18 -155.68 0.53 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 141.13 -33.92 1.97 Allowed Glycine 0 C--O 1.22 -0.776 0 CA-C-O 122.308 0.949 . . . . 25.0 111.585 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.21 -0.989 0 CA-C-O 124.124 1.916 . . . . 25.0 111.425 178.768 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 122.36 0.978 . . . . 25.0 112.199 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -16.83 52.85 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.279 -1.13 . . . . 25.0 112.771 -179.26 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -62.99 -6.25 3.72 Favored 'General case' 0 C--O 1.21 -0.995 0 N-CA-C 113.575 0.954 . . . . 50.0 113.575 178.756 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 87.4 p -80.2 2.84 22.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.961 -0.462 . . . . 25.0 110.018 176.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -153.58 -70.01 0.14 Allowed 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 112.423 0.527 . . . . 50.0 112.423 -179.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 5.5 m 47.19 12.93 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 118.162 2.653 . . . . 50.0 118.162 -177.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 63.94 -56.99 0.22 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.805 1.642 . . . . 50.0 114.838 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.04 -36.89 73.05 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 121.039 -0.601 . . . . 50.0 112.38 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.17 -26.72 67.55 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 109.79 -0.448 . . . . 50.0 109.79 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 27.5 t -66.26 -35.9 76.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 109.983 -0.377 . . . . 50.0 109.983 178.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 46.0 m -67.37 -40.45 85.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 50.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -71.58 -33.68 69.26 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 37.0 ttp -66.12 -38.52 88.39 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.532 -0.544 . . . . 50.0 109.532 178.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.71 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.012 0.434 . . . . 25.0 110.642 177.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.77 -45.99 66.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.835 0.35 . . . . 25.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.3 p -71.16 -31.25 43.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-O 120.621 0.248 . . . . 50.0 110.861 -178.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -53.27 -43.18 67.23 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 120.765 0.317 . . . . 50.0 110.691 176.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.1 87.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.044 0.45 . . . . 25.0 110.698 -179.655 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -71.53 -41.73 68.8 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.318 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.14 -41.07 97.91 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.735 0.779 . . . . 50.0 109.671 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.04 -45.59 92.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.482 -0.781 . . . . 50.0 111.587 178.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -73.71 -32.15 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.848 -0.741 . . . . 50.0 111.381 178.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.5 tpp -60.34 -41.18 93.08 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.753 -0.832 . . . . 50.0 108.753 176.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 47.9 m -61.22 -37.43 82.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.369 -0.378 . . . . 25.0 110.297 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -67.61 -43.04 81.38 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.381 -0.97 . . . . 50.0 108.381 177.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -61.35 -45.4 94.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.845 0.683 . . . . 50.0 112.845 -178.001 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.5 -35.3 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.178 0.436 . . . . 50.0 112.178 -178.678 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 77.5 mt -68.19 -37.54 81.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.596 0.236 . . . . 50.0 110.366 178.142 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -70.69 -30.06 66.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.81 0.338 . . . . 25.0 110.392 178.685 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -84.77 14.64 4.54 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -71.14 96.2 0.61 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.099 -0.572 . . . . 25.0 113.029 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -139.53 -174.26 3.84 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.583 -1.265 . . . . 25.0 107.583 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.76 155.66 33.0 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.925 -1.034 . . . . 50.0 110.132 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -145.19 25.18 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.654 -0.869 . . . . 50.0 108.654 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -78.33 -29.7 47.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.185 -0.916 . . . . 50.0 109.834 -175.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.14 22.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.428 -0.806 . . . . 50.0 112.894 -177.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -101.28 23.09 11.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 -175.392 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.9 143.3 97.93 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-O 121.057 0.456 . . . . 50.0 111.803 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.56 120.89 6.07 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 N-CA-C 115.985 1.494 . . . . 50.0 115.985 -177.07 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -95.36 93.76 1.64 Allowed Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.145 -0.934 . . . . 25.0 113.512 178.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.52 130.61 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.018 -0.734 . . . . 50.0 109.018 178.772 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 75.0 p -148.41 170.85 17.07 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 -178.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -72.47 131.69 17.15 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 120.837 -0.697 . . . . 25.0 111.547 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -56.16 -37.96 70.25 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -177.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m 50.61 -147.42 0.38 Allowed 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.461 0.475 . . . . 50.0 111.432 178.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 62.4 165.47 0.11 Allowed 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 116.951 2.204 . . . . 25.0 116.951 175.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -105.88 -76.76 0.6 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.174 -1.376 . . . . 50.0 109.919 176.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -64.18 -29.78 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.402 0.62 . . . . 25.0 111.436 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.21 -32.62 72.22 Favored Glycine 0 C--O 1.22 -0.724 0 CA-C-N 115.482 -0.781 . . . . 25.0 112.362 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.59 -34.99 79.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.196 -0.591 . . . . 50.0 111.328 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -73.6 -31.81 63.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.048 0.451 . . . . 50.0 110.019 -179.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.26 -46.35 56.28 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 177.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -35.11 78.32 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 119.451 -0.309 . . . . 50.0 111.453 -178.024 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.97 -27.61 68.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.246 -0.982 . . . . 50.0 110.739 178.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.77 -45.79 50.14 Favored Glycine 0 C--O 1.218 -0.881 0 N-CA-C 107.167 -2.373 . . . . 50.0 107.167 174.182 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.27 68.98 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.761 0.315 . . . . 25.0 111.408 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -66.75 -42.67 85.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.004 0.431 . . . . 50.0 111.501 178.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.68 82.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.121 0.486 . . . . 25.0 110.301 -178.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.64 -26.5 28.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.464 -0.335 . . . . 50.0 110.632 -179.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.1 64.82 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 117.924 0.329 . . . . 25.0 111.758 -178.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.39 94.35 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 177.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -33.55 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.711 0.291 . . . . 25.0 110.623 177.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.414 ' HA ' HG11 ' A' ' 476' ' ' VAL . 82.0 mm-40 -70.11 -45.83 66.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.04 0.447 . . . . 50.0 111.573 -179.051 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -64.29 -27.03 68.75 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.12 -0.632 . . . . 50.0 109.436 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.62 -51.44 23.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.969 -0.56 . . . . 50.0 110.342 177.291 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.414 HG11 ' HA ' ' A' ' 473' ' ' GLN . 14.1 p -63.69 -36.55 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 109.08 -0.711 . . . . 50.0 109.08 -177.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -64.25 -35.02 79.47 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.002 -0.544 . . . . 25.0 110.333 177.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.16 92.78 Favored 'General case' 0 C--O 1.223 -0.34 0 O-C-N 121.923 -0.486 . . . . 25.0 110.351 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -71.58 -32.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.428 -0.582 . . . . 50.0 109.428 -179.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.54 -27.49 67.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.2 mt -79.15 -44.15 22.54 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 109.533 -0.543 . . . . 50.0 109.533 177.084 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 43.8 mtm -60.48 -29.49 69.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.12 0.486 . . . . 50.0 111.53 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 21.5 p -80.5 -32.64 36.9 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.918 -0.713 . . . . 25.0 110.647 -176.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -81.37 -29.44 34.02 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 119.877 -0.729 . . . . 50.0 110.109 175.13 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -67.96 -38.39 82.71 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.704 -0.623 . . . . 50.0 109.772 178.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -70.6 -8.57 63.48 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 115.346 0.899 . . . . 25.0 115.346 -178.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -120.79 -1.27 9.99 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 117.368 0.584 . . . . 50.0 111.813 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -78.45 140.67 38.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.89 0.376 . . . . 25.0 110.586 -178.158 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -115.85 14.27 17.05 Favored Glycine 0 C--O 1.225 -0.431 0 N-CA-C 110.268 -1.133 . . . . 25.0 110.268 176.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 124.03 1.872 . . . . 25.0 113.099 -177.139 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.023 0 CA-C-O 124.165 1.981 . . . . 25.0 113.095 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 16.8 m -63.95 146.09 54.69 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 114.206 -0.997 . . . . 25.0 110.39 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -143.79 157.36 44.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.972 -1.492 . . . . 50.0 106.972 -178.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 14.7 m -67.33 159.44 29.31 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 177.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -62.15 156.6 21.3 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.642 -0.873 . . . . 50.0 108.642 176.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 15.4 m -83.52 140.73 32.1 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 122.051 0.929 . . . . 50.0 108.568 179.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.13 -18.63 61.27 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.175 -0.921 . . . . 50.0 109.565 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.04 -37.73 92.1 Favored Glycine 0 C--O 1.213 -1.175 0 N-CA-C 110.098 -1.201 . . . . 50.0 110.098 175.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.91 -38.8 92.39 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.669 -0.863 . . . . 50.0 108.669 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.12 -35.04 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.123 -0.49 . . . . 50.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 12.0 t -69.06 -40.45 78.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.867 0.365 . . . . 50.0 110.2 178.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -67.23 -35.27 79.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.32 -0.993 . . . . 25.0 108.32 178.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -36.8 84.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.21 -0.45 . . . . 50.0 110.577 179.01 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.56 -30.22 69.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.792 -0.448 . . . . 25.0 109.792 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.64 80.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 177.473 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 64.7 t -66.16 -45.29 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.874 -0.787 . . . . 50.0 108.874 177.608 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -58.79 -42.42 89.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 50.0 110.161 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.69 90.8 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.25 -0.281 . . . . 25.0 111.441 178.881 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.6 92.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.59 -45.76 92.79 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.966 -0.753 . . . . 50.0 108.966 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.74 -44.38 93.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.731 -0.668 . . . . 50.0 112.38 -179.37 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.81 -35.22 64.85 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.532 -0.867 . . . . 50.0 111.871 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.28 -39.55 92.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.413 0.551 . . . . 50.0 110.186 178.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 95.0 m -53.14 -32.94 50.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.297 0.57 . . . . 25.0 111.294 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -62.03 -48.72 79.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.027 0.442 . . . . 50.0 111.032 -178.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -72.49 -40.18 67.09 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.566 -0.531 . . . . 50.0 109.566 179.309 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -57.16 -44.53 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.249 -0.887 . . . . 50.0 112.969 -178.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 55.1 mt -61.28 -38.25 86.08 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.421 0.526 . . . . 50.0 112.421 -178.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -76.31 -18.69 58.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 178.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -87.5 -30.26 20.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.652 0.263 . . . . 25.0 110.935 178.829 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 145.37 -126.67 2.64 Favored Glycine 0 C--O 1.228 -0.223 0 N-CA-C 110.978 -0.849 . . . . 25.0 110.978 -178.819 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -151.04 136.62 17.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 52.57 -173.39 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 117.014 2.228 . . . . 50.0 117.014 -179.102 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -135.08 29.7 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 103.676 -2.713 . . . . 50.0 103.676 177.441 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 26.6 t70 69.46 -58.61 0.51 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.174 1.79 . . . . 50.0 113.155 -173.048 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -80.57 14.17 2.19 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.517 0.932 . . . . 50.0 113.517 -178.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -95.65 51.71 1.3 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.138 -0.937 . . . . 25.0 110.832 -174.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.43 140.54 92.62 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 106.929 -1.508 . . . . 50.0 106.929 174.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -77.39 166.12 26.51 Favored 'Trans proline' 0 C--N 1.344 0.309 0 CA-C-O 121.722 0.634 . . . . 50.0 113.469 -177.568 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -158.38 -156.26 7.92 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.116 -1.194 . . . . 25.0 110.116 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 45.4 t -71.92 -25.85 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 110.009 -0.367 . . . . 50.0 110.009 179.377 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 38.4 m 57.0 25.38 10.62 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -179.472 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -165.83 157.69 30.26 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 109.651 -1.38 . . . . 25.0 109.651 177.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -80.93 -25.83 37.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.505 0.669 . . . . 25.0 110.198 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 70.7 p -74.43 146.36 42.94 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.312 -0.625 . . . . 50.0 109.312 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -63.98 151.91 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 106.654 -1.61 . . . . 25.0 106.654 175.792 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -105.76 -74.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.549 0.574 . . . . 50.0 112.549 178.425 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -60.12 -30.84 69.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.967 1.099 . . . . 25.0 113.967 -174.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -64.12 -35.94 92.62 Favored Glycine 0 C--O 1.226 -0.346 0 N-CA-C 110.655 -0.978 . . . . 25.0 110.655 177.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -73.31 -38.6 65.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 122.295 -0.532 . . . . 50.0 110.189 179.366 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -61.57 -36.73 81.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 178.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.13 -48.53 43.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.2 -36.97 82.84 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.399 -0.52 . . . . 50.0 111.406 -178.331 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.55 -28.23 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.621 -0.674 . . . . 50.0 109.335 178.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.86 -46.24 68.55 Favored Glycine 0 C--O 1.216 -1.014 0 N-CA-C 107.729 -2.148 . . . . 50.0 107.729 175.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.18 -36.72 66.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 117.02 0.41 . . . . 25.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -71.98 -41.51 67.57 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 113.284 0.846 . . . . 50.0 113.284 179.186 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.05 81.54 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.349 -0.841 . . . . 25.0 111.241 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.1 m -67.71 -26.59 35.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 116.224 -0.443 . . . . 50.0 110.532 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.82 -32.29 65.58 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.156 0.434 . . . . 25.0 110.961 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.82 -38.27 88.49 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 177.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.76 66.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.622 -0.263 . . . . 25.0 110.536 177.27 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.0 mm-40 -69.56 -46.45 66.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.072 -0.392 . . . . 50.0 111.664 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -63.6 -27.52 69.3 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.062 -0.718 . . . . 50.0 109.062 178.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.57 -52.5 15.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.64 . . . . 50.0 110.756 177.224 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -63.35 -36.0 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 118.675 0.671 . . . . 50.0 109.556 -176.057 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -63.29 -35.34 80.02 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.009 -0.542 . . . . 25.0 110.344 178.291 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.4 96.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.116 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -70.7 -34.73 57.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 109.662 -0.495 . . . . 50.0 109.662 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.05 -26.97 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.261 0.553 . . . . 25.0 109.904 178.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.6 mt -80.05 -43.51 21.73 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.681 -0.489 . . . . 50.0 109.681 176.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.8 mtm -61.2 -28.57 69.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.088 0.471 . . . . 50.0 111.571 -179.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.6 p -77.25 -15.23 59.55 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.12 -0.632 . . . . 25.0 111.904 -175.2 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -107.03 -36.82 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.097 0.248 . . . . 50.0 110.907 174.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.98 -30.05 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.025 -0.422 . . . . 50.0 110.875 179.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -62.35 -15.27 51.5 Favored Glycine 0 C--O 1.223 -0.533 0 C-N-CA 121.2 -0.524 . . . . 25.0 113.778 178.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 87.3 mtm-85 -132.2 26.57 4.52 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.439 0.619 . . . . 50.0 109.999 177.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -76.4 -18.26 58.94 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.694 0.257 . . . . 25.0 111.694 -178.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 80.76 -48.88 3.8 Favored Glycine 0 C--O 1.224 -0.522 0 CA-C-O 121.554 0.53 . . . . 25.0 112.559 -179.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--O 1.212 -0.891 0 CA-C-O 124.28 1.991 . . . . 25.0 111.358 178.117 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.649 0 CA-C-O 124.118 1.955 . . . . 25.0 110.489 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 7.8 t 59.39 43.3 16.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 111.953 -2.124 . . . . 25.0 112.485 178.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -132.82 137.46 46.77 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.482 -1.303 . . . . 50.0 107.482 177.622 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 14.6 m 58.03 -170.63 0.11 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 124.654 1.221 . . . . 25.0 113.285 179.207 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -159.71 169.93 22.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.081 -2.563 . . . . 50.0 104.081 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 18.8 t -108.16 144.28 35.78 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 107.331 -1.359 . . . . 50.0 107.331 175.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.06 -29.18 70.34 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.349 -1.296 . . . . 50.0 111.793 -176.351 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.49 -42.42 93.7 Favored Glycine 0 C--O 1.217 -0.921 0 N-CA-C 110.292 -1.123 . . . . 50.0 110.292 178.23 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -62.69 -37.1 85.12 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.619 -0.512 . . . . 50.0 109.619 -178.904 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.94 -33.88 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.062 0.458 . . . . 50.0 110.28 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 46.7 m -67.17 -39.72 86.49 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.301 -0.629 . . . . 50.0 109.301 178.86 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -74.88 -29.68 61.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.202 178.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.3 ttm -60.55 -38.79 85.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 50.0 109.902 178.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.15 72.23 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.024 0.44 . . . . 25.0 110.673 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.05 68.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.212 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.81 -43.3 86.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.899 -0.778 . . . . 50.0 108.899 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -58.77 -43.99 90.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.242 0.544 . . . . 50.0 109.688 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.52 94.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.824 -0.548 . . . . 25.0 110.506 178.835 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.25 87.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.268 -0.423 . . . . 25.0 111.874 -178.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.76 -33.3 73.67 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.724 -0.79 . . . . 50.0 110.27 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.99 -37.63 86.44 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 122.031 -0.418 . . . . 50.0 111.062 178.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.67 -32.16 53.01 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 119.535 -0.866 . . . . 50.0 111.38 175.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 57.3 mtm -65.19 -31.48 72.68 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.455 -0.778 . . . . 50.0 110.227 177.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 86.2 m -55.42 -29.48 58.66 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.667 0.746 . . . . 25.0 110.329 177.01 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -69.24 -42.6 75.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.466 -0.771 . . . . 50.0 109.747 -179.288 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.24 -34.83 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.73 -0.47 . . . . 50.0 109.73 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.03 -40.25 80.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 50.0 109.844 177.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.9 mt -71.32 -13.63 61.94 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.983 0.735 . . . . 50.0 112.983 178.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 57.7 m170 -95.2 -8.3 36.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.788 0.328 . . . . 25.0 110.745 178.21 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -78.74 150.88 32.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 179.808 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -68.83 -49.82 39.79 Favored Glycine 0 C--O 1.229 -0.192 0 N-CA-C 109.332 -1.507 . . . . 25.0 109.332 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -173.38 166.82 4.76 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 103.863 -2.643 . . . . 25.0 103.863 175.585 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -157.8 165.09 36.21 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 104.117 -2.549 . . . . 50.0 104.117 178.011 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -141.13 26.06 2.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 118.133 0.424 . . . . 50.0 110.279 -176.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.15 -30.18 69.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.571 -0.741 . . . . 50.0 110.117 -176.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -142.49 39.18 1.55 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.304 -1.369 . . . . 50.0 107.304 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 48.06 43.88 18.51 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 114.645 -1.161 . . . . 25.0 112.695 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.6 153.22 95.37 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 116.775 2.139 . . . . 50.0 116.775 -173.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -78.17 171.71 16.63 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.188 1.258 . . . . 50.0 111.629 175.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -105.18 -70.27 0.78 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 117.706 1.843 . . . . 25.0 117.706 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 18.6 t -82.9 90.94 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 121.357 -1.084 . . . . 50.0 113.378 -173.726 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 63.5 p -119.64 -7.06 10.14 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.509 0.559 . . . . 25.0 112.509 176.405 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -76.19 68.68 2.31 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 117.543 1.777 . . . . 25.0 117.543 -176.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -77.09 146.97 36.92 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 122.213 -0.581 . . . . 25.0 109.866 177.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 32.6 t -150.17 150.25 31.35 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 122.304 -0.248 . . . . 50.0 110.912 178.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 63.19 145.11 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.856 1.662 . . . . 25.0 114.983 -179.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -110.71 -76.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.475 -0.784 . . . . 50.0 112.485 178.439 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.13 -31.84 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.172 0.987 . . . . 25.0 109.672 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.62 -31.24 74.35 Favored Glycine 0 C--O 1.219 -0.794 0 CA-C-N 114.286 -1.325 . . . . 25.0 113.053 -179.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.45 -49.02 75.33 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 118.214 1.007 . . . . 50.0 110.171 -179.655 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -69.05 -36.35 77.59 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.975 -0.69 . . . . 50.0 110.072 -178.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.78 88.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.474 -0.33 . . . . 25.0 110.162 178.429 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -38.89 86.61 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 119.218 -0.42 . . . . 50.0 110.94 -179.455 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -56.34 -40.24 74.13 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.125 0.875 . . . . 50.0 110.785 177.736 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.14 -49.74 38.3 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 109.594 -1.403 . . . . 50.0 109.594 177.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.02 -37.11 66.22 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -179.03 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -72.22 -42.94 65.16 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.997 -0.44 . . . . 50.0 110.31 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.42 91.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 25.0 110.022 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -70.67 -30.5 42.52 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.195 0 C-N-CA 120.365 -0.534 . . . . 50.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.88 -35.89 71.63 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.885 0.766 . . . . 25.0 110.927 -179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.43 87.5 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 177.554 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.82 67.26 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.726 -0.215 . . . . 25.0 111.158 177.002 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.413 ' HA ' HG13 ' A' ' 476' ' ' VAL . 65.3 mm-40 -69.26 -45.66 69.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.723 -0.611 . . . . 50.0 112.334 -179.067 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.52 -27.2 68.99 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.964 -0.754 . . . . 50.0 108.964 178.519 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.6 tp -76.33 -51.8 11.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.545 -0.752 . . . . 50.0 111.681 177.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.413 HG13 ' HA ' ' A' ' 473' ' ' GLN . 11.5 p -63.05 -36.93 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 118.587 0.63 . . . . 50.0 110.016 -175.923 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -64.73 -34.16 77.68 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.437 178.438 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.43 98.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.508 -0.477 . . . . 25.0 109.723 179.624 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.11 -35.8 65.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 109.643 -0.503 . . . . 50.0 109.643 -179.449 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.36 -27.0 61.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.443 0.64 . . . . 25.0 109.66 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.9 -42.41 21.46 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.112 0.482 . . . . 50.0 109.871 177.493 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.1 mtm -60.78 -30.52 70.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.873 0.368 . . . . 50.0 110.785 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 30.6 p -78.11 -13.88 59.7 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.512 -0.475 . . . . 25.0 112.173 -176.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -107.33 -26.87 10.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.742 0.275 . . . . 50.0 111.742 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -78.4 -39.94 37.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 118.41 0.55 . . . . 50.0 110.206 175.182 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -76.8 -11.66 85.22 Favored Glycine 0 C--O 1.221 -0.679 0 N-CA-C 115.167 0.827 . . . . 25.0 115.167 -176.128 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -90.53 2.13 56.05 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 117.625 0.713 . . . . 50.0 111.586 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.12 130.33 35.39 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -145.72 41.73 1.01 Allowed Glycine 0 C--O 1.223 -0.544 0 CA-C-O 122.418 1.01 . . . . 25.0 112.288 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 C--O 1.211 -0.933 0 CA-C-O 123.314 1.53 . . . . 25.0 112.413 -178.233 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . 0.758 ' H1 ' HH21 ' A' ' 413' ' ' ARG . . . . . . . . 0 N--CA 1.501 3.019 0 CA-C-O 122.219 0.9 . . . . 25.0 112.724 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 20.7 m -64.24 135.95 56.74 Favored 'General case' 0 C--O 1.226 -0.147 0 O-C-N 121.017 -1.284 . . . . 25.0 109.531 178.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.758 HH21 ' H1 ' ' A' ' 411' ' ' GLY . 0.2 OUTLIER -128.59 -39.6 1.64 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.416 -0.356 . . . . 50.0 111.353 -179.253 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 10.6 m 66.6 -48.66 0.45 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 116.324 1.972 . . . . 25.0 116.324 178.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -158.84 164.97 35.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.549 -0.908 . . . . 50.0 108.549 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 71.6 m -93.69 127.19 39.27 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.349 -0.982 . . . . 50.0 108.349 176.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.11 -28.04 69.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.653 -1.158 . . . . 50.0 112.719 -175.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.0 -40.81 98.57 Favored Glycine 0 C--O 1.219 -0.84 0 C-N-CA 120.783 -0.722 . . . . 50.0 112.128 179.683 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -62.9 -40.4 97.46 Favored 'General case' 0 C--O 1.206 -1.231 0 CA-C-N 117.319 0.559 . . . . 50.0 110.15 -177.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.84 -32.7 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 120.961 0.41 . . . . 50.0 110.254 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -66.24 -40.57 90.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.389 -0.597 . . . . 50.0 109.389 178.149 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -74.64 -31.29 61.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.473 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 23.8 ttm -61.62 -36.05 79.64 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.304 0.573 . . . . 50.0 110.866 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.06 75.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.637 179.357 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.1 69.81 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 178.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.56 -47.67 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.37 -0.604 . . . . 50.0 109.37 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.72 -46.04 91.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.852 0.358 . . . . 50.0 110.693 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.82 92.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.992 -0.442 . . . . 25.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.65 72.0 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 116.06 -0.518 . . . . 25.0 111.728 -178.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -69.85 -31.73 69.74 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.864 -0.734 . . . . 50.0 111.036 -177.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.43 -42.99 98.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.591 -0.522 . . . . 50.0 109.591 177.559 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -75.31 -32.4 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.114 -1.034 . . . . 50.0 112.405 176.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.8 tpp -59.81 -33.67 72.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.468 -0.568 . . . . 50.0 109.468 176.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 57.3 m -58.29 -33.87 69.93 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.102 0.477 . . . . 25.0 110.705 178.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -69.63 -47.95 61.65 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.117 -1.068 . . . . 50.0 108.117 178.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.803 1.038 . . . . 50.0 113.803 -177.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.45 -33.08 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 112.196 0.443 . . . . 50.0 112.196 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.2 -20.88 60.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.363 -0.381 . . . . 50.0 111.946 178.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -94.15 -5.58 46.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.789 0.328 . . . . 25.0 110.418 176.782 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -104.31 167.41 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.065 0.46 . . . . 25.0 109.853 -178.546 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -78.45 -31.13 47.09 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.566 -0.826 . . . . 25.0 113.118 179.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -160.58 103.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.88 0.34 . . . . 25.0 110.612 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 56.06 -160.6 0.2 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.194 0.597 . . . . 50.0 111.156 177.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -129.68 63.61 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.551 -0.907 . . . . 50.0 108.551 179.007 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 9.7 t0 54.7 15.04 0.97 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.073 1.508 . . . . 50.0 115.073 177.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.5 t0 60.75 30.63 19.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.369 -1.287 . . . . 50.0 112.118 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -85.6 50.49 1.97 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.725 -1.125 . . . . 25.0 108.83 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.95 155.77 70.46 Favored Pre-proline 0 CA--C 1.556 1.21 0 CA-C-N 114.197 -1.365 . . . . 50.0 111.918 179.489 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -79.87 -13.67 12.85 Favored 'Trans proline' 0 C--N 1.35 0.619 0 N-CA-C 117.701 2.154 . . . . 50.0 117.701 -173.209 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -87.6 7.58 80.48 Favored Glycine 0 CA--C 1.506 -0.518 0 CA-C-O 122.795 1.219 . . . . 25.0 113.079 -177.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.1 -17.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 113.245 -1.478 . . . . 50.0 112.371 -179.425 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 22.9 t -149.92 -46.49 0.13 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.506 1.298 . . . . 25.0 114.506 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 80.01 -63.1 4.13 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.317 -0.713 . . . . 25.0 111.317 -176.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 52.25 39.66 27.49 Favored 'General case' 0 CA--C 1.543 0.712 0 N-CA-C 114.601 1.334 . . . . 25.0 114.601 177.175 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.7 m -54.23 139.69 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.258 0.551 . . . . 50.0 110.456 178.621 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -132.92 155.35 49.25 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -172.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -105.71 -62.2 1.4 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.651 0.739 . . . . 50.0 110.168 171.7 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -61.95 -28.91 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -65.05 -33.91 88.41 Favored Glycine 0 C--O 1.225 -0.415 0 N-CA-C 110.85 -0.9 . . . . 25.0 110.85 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -68.06 -39.79 82.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.86 -0.792 . . . . 50.0 108.86 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -66.26 -34.42 77.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.616 -0.434 . . . . 50.0 109.844 178.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.71 90.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.349 -0.387 . . . . 25.0 110.484 178.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -35.38 80.43 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.588 -0.523 . . . . 50.0 109.588 179.379 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.18 -35.83 76.24 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.407 0.623 . . . . 50.0 109.991 176.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.91 -46.26 68.07 Favored Glycine 0 C--O 1.219 -0.803 0 N-CA-C 108.908 -1.677 . . . . 50.0 108.908 177.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.83 -39.6 65.72 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.617 0.367 . . . . 25.0 111.758 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -65.36 -44.73 86.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.237 0.542 . . . . 50.0 111.282 179.02 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.81 -44.2 74.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 25.0 111.534 -177.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.8 m -68.29 -26.64 34.4 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 116.582 -0.281 . . . . 50.0 110.757 -178.542 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -54.65 -34.02 61.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.71 0.232 . . . . 25.0 111.588 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.0 89.03 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.918 0.389 . . . . 25.0 110.417 177.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -37.05 67.81 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 177.051 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.413 ' HA ' HG13 ' A' ' 476' ' ' VAL . 53.9 mm-40 -65.7 -46.55 78.56 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.595 0.591 . . . . 50.0 112.595 -178.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -62.5 -27.77 69.37 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.497 -0.557 . . . . 50.0 109.497 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -52.58 10.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.854 -0.612 . . . . 50.0 110.915 177.397 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.413 HG13 ' HA ' ' A' ' 473' ' ' GLN . 14.6 p -63.64 -36.35 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 118.785 0.72 . . . . 50.0 109.875 -174.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -62.69 -36.17 82.06 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.09 178.347 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.88 91.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.344 -178.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.03 -33.82 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.173 -0.611 . . . . 50.0 109.98 -178.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.67 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.439 0.638 . . . . 25.0 109.44 179.387 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.49 -42.84 42.07 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 121.391 0.615 . . . . 50.0 110.124 178.228 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.2 mtm -63.76 -27.21 69.04 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 120.688 -0.405 . . . . 50.0 111.97 -179.376 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.5 p -83.17 -34.6 25.94 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.903 -0.719 . . . . 25.0 109.745 -176.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -79.58 -26.05 41.41 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.036 -0.666 . . . . 50.0 110.712 177.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.58 -17.15 45.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 O-C-N 121.71 -0.619 . . . . 50.0 111.476 176.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 70.21 27.65 72.56 Favored Glycine 0 C--O 1.226 -0.397 0 N-CA-C 111.015 -0.834 . . . . 25.0 111.015 -176.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -121.94 35.95 4.75 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 122.389 -0.477 . . . . 50.0 111.686 -175.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.13 64.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.946 -0.57 . . . . 25.0 111.123 177.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 80.98 -60.43 4.67 Favored Glycine 0 C--O 1.225 -0.437 0 N-CA-C 111.343 -0.703 . . . . 25.0 111.343 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 10.1 m . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 124.433 2.063 . . . . 25.0 111.503 178.374 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.5 0 CA-C-O 123.727 1.737 . . . . 25.0 113.228 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 93.3 p -129.77 163.94 25.11 Favored 'General case' 0 CA--C 1.521 -0.136 0 O-C-N 120.941 -1.329 . . . . 25.0 109.643 -179.47 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -60.55 -36.19 77.87 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.265 0.555 . . . . 50.0 110.57 178.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 1.8 p -165.71 148.21 7.51 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 101.288 -3.597 . . . . 25.0 101.288 176.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -71.83 -29.96 64.96 Favored 'General case' 0 C--O 1.205 -1.262 0 C-N-CA 120.285 -0.566 . . . . 50.0 111.847 -177.124 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 18.8 m 27.42 127.64 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.187 1 N-CA-C 122.324 4.194 . . . . 50.0 122.324 178.27 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -53.57 -33.02 53.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.344 -1.298 . . . . 50.0 114.298 -176.049 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.92 -41.98 80.08 Favored Glycine 0 C--O 1.22 -0.757 0 C-N-CA 120.26 -0.971 . . . . 50.0 110.937 177.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -65.06 -37.98 89.32 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 108.7 -0.852 . . . . 50.0 108.7 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.84 -34.8 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-O 120.843 0.354 . . . . 50.0 110.525 178.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 42.5 m -66.64 -39.87 88.45 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.542 -0.463 . . . . 50.0 109.795 179.451 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -75.81 -27.5 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.947 0.404 . . . . 25.0 110.539 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 40.5 ttm -58.6 -33.01 69.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.208 0.603 . . . . 50.0 111.364 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.48 77.48 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.22 0.533 . . . . 25.0 110.597 178.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.94 -34.81 59.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 178.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.98 -47.03 92.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 N-CA-C 108.763 -0.829 . . . . 50.0 108.763 178.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.8 -43.24 90.5 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.932 -0.307 . . . . 50.0 110.499 179.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.07 95.76 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.957 -0.297 . . . . 25.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.68 73.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.316 -0.402 . . . . 25.0 111.049 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.18 -44.62 96.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.563 0.697 . . . . 50.0 109.488 -179.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.0 -42.8 95.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.671 -0.695 . . . . 50.0 111.511 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.81 -34.8 64.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.167 -1.013 . . . . 50.0 112.37 178.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 73.1 mtm -64.28 -37.3 87.0 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 178.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 40.2 m -59.87 -39.19 84.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.003 0.43 . . . . 25.0 110.471 177.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -64.71 -47.63 77.6 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.513 -0.921 . . . . 50.0 108.513 178.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.42 -43.8 92.98 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.7 -1.136 . . . . 50.0 113.403 -178.019 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.3 m -69.99 -35.05 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 112.493 0.553 . . . . 50.0 112.493 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.8 mt -71.48 -19.13 62.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.855 0.359 . . . . 50.0 111.526 177.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -91.39 -2.8 57.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.771 0.32 . . . . 25.0 110.342 177.185 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -103.78 164.83 11.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.528 . . . . 25.0 110.051 -179.045 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -84.17 115.05 4.0 Favored Glycine 0 N--CA 1.453 -0.192 0 N-CA-C 109.547 -1.421 . . . . 25.0 109.547 177.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -142.18 175.35 9.82 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 106.638 -1.616 . . . . 25.0 106.638 -178.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -79.39 158.38 27.4 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.275 -1.33 . . . . 50.0 109.217 -178.876 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -113.31 49.18 0.98 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.199 -1.037 . . . . 50.0 108.199 178.314 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.34 -34.51 63.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.543 -0.753 . . . . 50.0 110.039 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.42 -62.84 1.23 Allowed 'General case' 0 CA--C 1.499 -1.017 0 CA-C-O 124.592 2.139 . . . . 50.0 112.131 -176.2 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 42.32 44.77 3.48 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 108.839 -3.801 . . . . 25.0 113.53 178.42 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.87 147.37 99.09 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-O 121.142 0.496 . . . . 50.0 112.131 -177.516 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -80.07 153.84 22.13 Favored 'Trans proline' 0 C--N 1.347 0.473 0 CA-C-O 121.717 0.632 . . . . 50.0 113.106 179.579 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -152.53 136.08 5.23 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.944 -1.262 . . . . 25.0 109.944 178.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.58 136.76 25.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.467 -1.309 . . . . 50.0 107.467 178.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 69.4 m -134.72 164.41 27.6 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.021 -0.363 . . . . 25.0 110.021 -176.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 175.83 -38.21 0.1 Allowed Glycine 0 C--O 1.228 -0.25 0 C-N-CA 121.208 -0.52 . . . . 25.0 112.005 -179.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 54.19 19.85 2.33 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.693 1.368 . . . . 25.0 114.693 177.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 55.0 p -153.44 161.6 42.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.579 -1.267 . . . . 50.0 107.579 -178.37 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -156.6 142.28 17.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -105.74 -67.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.451 0.643 . . . . 50.0 109.773 174.022 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -62.43 -30.21 71.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.326 0.584 . . . . 25.0 111.561 -179.449 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.53 -32.35 77.71 Favored Glycine 0 C--O 1.221 -0.689 0 CA-C-N 115.595 -0.729 . . . . 25.0 111.91 178.237 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.66 -40.05 92.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.166 -0.608 . . . . 50.0 109.639 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -68.85 -36.85 78.64 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.499 -0.556 . . . . 50.0 109.499 -179.304 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.03 92.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.148 -0.478 . . . . 25.0 110.219 177.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -35.48 80.67 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 120.795 -0.362 . . . . 50.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -56.89 -37.13 70.97 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.764 0.711 . . . . 50.0 110.128 175.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.84 -47.91 52.16 Favored Glycine 0 C--O 1.218 -0.851 0 N-CA-C 109.392 -1.483 . . . . 50.0 109.392 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.41 -39.26 64.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.49 -42.71 82.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.189 0.519 . . . . 50.0 111.131 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.66 -44.3 74.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 25.0 110.963 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 20.9 m -68.81 -26.52 32.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-N 116.614 -0.266 . . . . 50.0 110.774 -178.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.46 65.25 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 117.836 0.289 . . . . 25.0 111.047 179.405 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.29 78.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.618 0.247 . . . . 25.0 110.593 178.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -76.85 -36.57 56.71 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 120.56 0.219 . . . . 25.0 110.613 175.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.416 ' HA ' HG11 ' A' ' 476' ' ' VAL . 52.5 mm-40 -66.35 -46.08 78.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.495 0.554 . . . . 50.0 112.495 -178.143 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -61.19 -28.71 69.33 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.133 -0.691 . . . . 50.0 109.133 178.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -50.68 13.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.431 -0.804 . . . . 50.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.416 HG11 ' HA ' ' A' ' 473' ' ' GLN . 14.7 p -63.43 -35.57 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 109.282 -0.636 . . . . 50.0 109.282 -176.562 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.84 -36.17 82.36 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.022 -0.536 . . . . 25.0 110.474 178.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.53 98.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.317 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -72.75 -31.78 38.07 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 N-CA-C 109.67 -0.493 . . . . 50.0 109.67 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.53 65.98 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.288 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.6 mt -77.38 -45.28 26.48 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 109.448 -0.575 . . . . 50.0 109.448 177.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.5 mtm -62.12 -28.81 69.89 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.121 0.486 . . . . 50.0 111.393 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 28.2 p -85.87 -17.79 34.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.28 -0.568 . . . . 25.0 111.664 -176.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -93.38 -23.58 18.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.586 -0.524 . . . . 50.0 109.586 173.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.94 -36.67 62.11 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.721 -0.844 . . . . 50.0 108.721 173.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -79.49 41.97 2.36 Favored Glycine 0 C--O 1.225 -0.444 0 N-CA-C 115.175 0.83 . . . . 25.0 115.175 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -105.02 31.84 4.58 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.43 0.615 . . . . 50.0 110.376 179.379 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -76.35 58.57 1.31 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.07 -0.514 . . . . 25.0 112.288 -179.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -116.66 43.65 1.61 Allowed Glycine 0 C--O 1.226 -0.402 0 N-CA-C 111.181 -0.768 . . . . 25.0 111.181 -179.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.21 -1.004 0 CA-C-O 123.554 1.645 . . . . 25.0 110.952 -177.643 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.849 0 CA-C-O 124.611 2.228 . . . . 25.0 111.014 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 26.2 p -67.21 151.55 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 112.328 -1.936 . . . . 25.0 110.087 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -138.77 158.28 44.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.117 -1.808 . . . . 50.0 106.117 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 5.3 t 61.56 -152.5 0.37 Allowed 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.259 0.975 . . . . 25.0 109.36 -177.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -125.16 154.25 41.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.996 -0.742 . . . . 50.0 108.996 -177.892 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.64 139.51 32.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.156 0.979 . . . . 50.0 109.148 178.048 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.32 -12.64 60.02 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.012 -0.995 . . . . 50.0 110.607 -177.372 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.04 -41.11 93.18 Favored Glycine 0 C--O 1.223 -0.556 0 N-CA-C 110.001 -1.24 . . . . 50.0 110.001 177.724 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.04 -38.84 89.37 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.916 -0.772 . . . . 50.0 108.916 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.35 -31.04 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.654 -0.703 . . . . 50.0 110.653 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -67.19 -40.74 86.57 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.883 -0.511 . . . . 50.0 110.533 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -75.77 -30.69 59.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.465 0.65 . . . . 25.0 109.744 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 45.6 ttp -63.32 -41.48 98.91 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.719 -0.845 . . . . 50.0 108.719 177.334 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.51 72.49 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.048 0.451 . . . . 25.0 110.769 177.702 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.49 68.22 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.131 -0.356 . . . . 25.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.22 -32.62 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 122.339 -0.226 . . . . 50.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.46 -46.32 86.83 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.993 -0.743 . . . . 50.0 108.993 174.414 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.87 85.23 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.86 -0.525 . . . . 25.0 110.166 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.87 -46.45 78.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.588 -179.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.8 -31.13 70.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.544 -0.723 . . . . 50.0 110.661 -178.558 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 38.7 mt -62.67 -42.04 99.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.128 -0.357 . . . . 50.0 110.086 177.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -74.99 -32.22 61.61 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.462 -0.895 . . . . 50.0 111.545 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 7.2 tpp -62.79 -33.41 75.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.817 0.342 . . . . 50.0 110.596 178.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.3 m -57.84 -36.55 72.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.471 0.653 . . . . 25.0 109.898 177.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -66.61 -41.0 89.08 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.776 -0.824 . . . . 50.0 108.776 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.87 -44.85 91.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.428 -0.806 . . . . 50.0 111.535 -178.326 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.0 m -68.38 -33.25 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 112.4 0.519 . . . . 50.0 112.4 -177.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.27 -47.84 82.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.249 -0.649 . . . . 50.0 109.249 177.253 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -69.13 -27.91 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 179.649 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -68.24 -28.91 67.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 178.78 17.01 0.03 OUTLIER Glycine 0 C--O 1.237 0.281 0 N-CA-C 119.978 2.751 . . . . 25.0 119.978 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -85.29 96.44 9.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 119.607 1.704 . . . . 25.0 109.872 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -67.98 -33.67 75.08 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.622 -0.881 . . . . 50.0 108.622 178.027 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 58.48 28.99 17.71 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.653 1.353 . . . . 50.0 114.653 174.312 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.33 -41.88 76.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.293 0.568 . . . . 50.0 112.322 -177.314 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -137.73 51.44 1.91 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.255 -0.884 . . . . 50.0 108.641 -178.655 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -133.75 53.96 1.98 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.099 0.476 . . . . 25.0 112.144 -177.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -69.26 153.81 95.57 Favored Pre-proline 0 CA--C 1.545 0.786 0 N-CA-C 109.344 -0.613 . . . . 50.0 109.344 176.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -80.98 3.59 7.68 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 120.403 0.735 . . . . 50.0 113.997 179.402 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 125.74 160.28 10.6 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 108.957 -1.657 . . . . 25.0 108.957 -178.166 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 11.9 p -51.31 136.43 10.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 N-CA-C 114.121 1.156 . . . . 50.0 114.121 -176.243 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 12.3 t -152.91 -174.12 4.82 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 103.111 -2.922 . . . . 25.0 103.111 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -168.56 -52.44 0.03 OUTLIER Glycine 0 C--O 1.221 -0.666 0 C-N-CA 119.682 -1.246 . . . . 25.0 115.361 178.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -148.86 -48.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 179.437 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.4 p -76.15 152.75 36.62 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.248 -1.76 . . . . 50.0 106.248 174.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -76.23 66.07 2.28 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 119.215 -0.421 . . . . 25.0 110.512 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -44.95 -52.69 8.47 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.959 0.725 . . . . 50.0 112.959 -176.808 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . 0.514 ' CE3' ' HA ' ' A' ' 458' ' ' TRP . 75.0 m95 -66.5 -34.66 78.42 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -177.616 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -70.61 -31.51 67.88 Favored Glycine 0 C--N 1.311 -0.844 0 CA-C-N 114.415 -1.266 . . . . 25.0 111.235 179.233 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -65.62 -35.97 82.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.145 -0.621 . . . . 50.0 109.518 177.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -64.3 -35.12 79.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.253 -0.647 . . . . 50.0 109.253 178.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.03 35.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.915 -0.584 . . . . 25.0 110.223 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 -31.99 72.4 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 112.26 0.467 . . . . 50.0 112.26 -176.742 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -67.09 -28.24 68.01 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.786 -0.766 . . . . 50.0 110.502 177.671 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -74.02 -38.15 48.58 Favored Glycine 0 C--O 1.225 -0.466 0 N-CA-C 107.739 -2.144 . . . . 50.0 107.739 174.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.42 -32.89 63.06 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 120.808 0.337 . . . . 25.0 111.344 178.672 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -72.59 -39.31 67.46 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.027 -0.42 . . . . 50.0 111.707 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.78 75.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.34 0.591 . . . . 25.0 109.459 -179.04 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.14 -26.58 32.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 CA-C-N 116.271 -0.422 . . . . 50.0 110.364 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.71 -28.87 64.24 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.178 -0.326 . . . . 25.0 111.778 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.86 92.56 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.638 -0.504 . . . . 25.0 109.638 177.228 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -37.64 67.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.837 0.351 . . . . 25.0 110.078 176.495 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.42 ' HA ' HG11 ' A' ' 476' ' ' VAL . 63.6 mm-40 -65.87 -46.41 78.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.748 0.647 . . . . 50.0 112.748 -179.062 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.88 -28.08 69.79 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 178.835 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.4 -52.07 15.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.8 -0.637 . . . . 50.0 110.698 177.318 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.42 HG11 ' HA ' ' A' ' 473' ' ' GLN . 13.7 p -63.18 -35.78 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 118.804 0.729 . . . . 50.0 109.482 -175.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -62.25 -36.28 81.56 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.303 178.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.38 -43.86 92.85 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.291 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.66 -34.77 53.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 N-CA-C 109.874 -0.417 . . . . 50.0 109.874 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.53 -26.95 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.438 0.637 . . . . 25.0 110.018 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.63 -41.99 36.47 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.316 -0.624 . . . . 50.0 109.316 177.054 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.3 mtm -63.06 -28.2 69.92 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.393 -0.367 . . . . 50.0 111.426 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.2 p -78.41 -34.17 48.19 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.262 -0.975 . . . . 25.0 110.208 -176.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -81.49 -31.65 32.8 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.536 -0.466 . . . . 50.0 111.082 176.536 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -71.32 -36.0 71.42 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.227 -0.657 . . . . 50.0 109.227 177.652 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -84.72 4.06 85.55 Favored Glycine 0 N--CA 1.453 -0.199 0 N-CA-C 111.556 -0.618 . . . . 25.0 111.556 176.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 38.45 52.89 1.78 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.902 1.281 . . . . 50.0 112.94 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -66.7 138.76 57.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.58 -1.191 . . . . 25.0 109.56 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -64.78 -27.78 72.49 Favored Glycine 0 C--O 1.226 -0.391 0 CA-C-O 122.476 1.042 . . . . 25.0 112.522 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 37.0 p . . . . . 0 C--O 1.214 -0.783 0 CA-C-O 123.204 1.478 . . . . 25.0 111.642 179.382 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 122.082 0.823 . . . . 25.0 112.683 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 77.3 p 56.76 -153.21 0.37 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.796 1.238 . . . . 25.0 110.056 -178.615 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 56.0 25.53 8.9 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.73 0.812 . . . . 50.0 113.131 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 70.8 m -94.53 159.0 15.29 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 103.903 -2.628 . . . . 25.0 103.903 176.385 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -68.92 -24.95 64.36 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.857 -0.737 . . . . 50.0 111.064 -179.217 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.8 m 40.67 120.94 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 120.918 3.673 . . . . 50.0 120.918 176.21 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.87 -34.81 68.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.636 -1.165 . . . . 50.0 112.459 -178.27 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.69 -36.71 61.87 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 120.232 -0.985 . . . . 50.0 111.926 178.302 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.49 -34.2 69.93 Favored 'General case' 0 C--O 1.21 -0.998 0 N-CA-C 108.911 -0.774 . . . . 50.0 108.911 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.58 -37.91 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 122.229 -0.294 . . . . 50.0 110.835 176.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.2 m -64.16 -37.5 87.7 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.689 -0.632 . . . . 50.0 110.899 178.467 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -75.82 -31.87 59.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.471 0.653 . . . . 25.0 109.895 179.056 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 37.3 ttm -60.11 -44.79 94.59 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.539 -0.755 . . . . 50.0 109.344 179.009 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.7 78.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.173 0.511 . . . . 25.0 110.924 -178.807 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.4 -46.99 58.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.865 -178.941 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.39 -34.73 59.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 C-N-CA 120.989 -0.284 . . . . 50.0 111.012 -178.083 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -57.55 -46.0 84.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.81 -0.441 . . . . 50.0 109.81 177.15 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.58 96.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.683 0.278 . . . . 25.0 110.681 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.63 86.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.251 -179.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.96 -41.76 99.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.419 0.628 . . . . 50.0 109.323 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 40.0 mt -62.4 -43.64 98.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.809 -0.632 . . . . 50.0 112.195 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -73.75 -32.19 63.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.656 -0.818 . . . . 50.0 111.329 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -61.13 -42.09 97.91 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.461 -0.941 . . . . 50.0 108.461 175.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 62.6 m -59.42 -33.18 70.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.87 -0.604 . . . . 25.0 110.543 179.098 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -65.7 -44.4 86.25 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.447 -0.783 . . . . 50.0 109.966 179.39 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -64.29 -44.35 91.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.642 -0.873 . . . . 50.0 108.642 -179.413 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.19 -41.5 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 124.281 1.032 . . . . 50.0 113.585 179.449 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.4 -30.03 66.82 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.039 0.755 . . . . 50.0 113.039 -177.841 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -91.62 -51.76 5.1 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . 39.79 39.74 0.59 Allowed 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.512 1.671 . . . . 25.0 115.512 178.196 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -71.03 -17.27 75.47 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-O 121.464 0.48 . . . . 25.0 112.425 -178.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -155.75 163.37 39.94 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 102.724 -3.065 . . . . 25.0 102.724 176.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -77.16 -22.29 52.74 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 113.892 1.071 . . . . 50.0 113.892 -178.254 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 58.41 43.72 19.29 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 124.201 0.938 . . . . 50.0 109.545 -174.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -58.59 -42.34 87.85 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.767 0.794 . . . . 50.0 109.747 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -161.77 58.08 0.26 Allowed 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 105.641 -1.985 . . . . 50.0 105.641 178.135 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -124.96 25.11 7.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.568 -0.742 . . . . 25.0 109.162 -176.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -113.31 158.61 37.81 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.571 -0.74 . . . . 50.0 110.581 -177.251 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -80.77 12.26 2.68 Favored 'Trans proline' 0 C--N 1.347 0.494 0 N-CA-C 116.598 1.73 . . . . 50.0 116.598 -175.214 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 74.36 41.03 38.79 Favored Glycine 0 C--O 1.236 0.272 0 N-CA-C 110.265 -1.134 . . . . 25.0 110.265 -178.581 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.58 146.09 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 114.802 -0.699 . . . . 50.0 109.867 -177.918 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 19.9 m 54.2 32.99 17.07 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.438 1.273 . . . . 25.0 114.438 178.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -71.83 62.82 1.25 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 116.202 1.241 . . . . 25.0 116.202 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -141.01 136.18 31.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 177.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 37.7 t -75.07 113.17 12.09 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.163 0.506 . . . . 50.0 111.156 -178.174 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -58.51 138.63 56.62 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 176.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -105.73 -62.9 1.3 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.126 0.488 . . . . 50.0 110.852 178.22 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -63.57 -29.82 71.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.004 0.431 . . . . 25.0 111.034 178.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -61.43 -33.18 83.75 Favored Glycine 0 C--O 1.219 -0.836 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.863 178.231 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.88 -32.68 73.34 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.943 -0.739 . . . . 50.0 110.211 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -74.51 -31.14 62.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.21 -0.663 . . . . 50.0 109.21 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -71.04 -47.77 56.62 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 175.762 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -35.74 81.8 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 122.197 -0.314 . . . . 50.0 111.843 -178.006 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -64.76 -27.11 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.281 -0.887 . . . . 50.0 110.07 178.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -75.15 -44.03 24.34 Favored Glycine 0 C--O 1.222 -0.63 0 N-CA-C 107.851 -2.1 . . . . 50.0 107.851 174.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.93 69.15 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 120.966 0.412 . . . . 25.0 111.196 179.613 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -63.02 -44.97 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.21 0.529 . . . . 50.0 111.242 178.677 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.04 73.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.102 0.477 . . . . 25.0 110.975 -177.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.12 -26.58 29.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.918 0 C-N-CA 120.68 -0.408 . . . . 50.0 110.544 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.61 66.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 118.451 0.568 . . . . 25.0 111.078 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.12 -36.5 82.03 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.029 0.443 . . . . 25.0 109.925 177.814 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -33.62 66.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.553 -0.294 . . . . 25.0 110.857 177.097 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.432 ' HA ' HG11 ' A' ' 476' ' ' VAL . 35.1 mm-40 -72.17 -46.11 57.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.16 0.505 . . . . 50.0 111.919 -176.041 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -62.01 -28.03 69.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.609 -0.886 . . . . 50.0 108.609 178.29 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.1 -53.16 9.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.797 -0.638 . . . . 50.0 111.33 177.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.432 HG11 ' HA ' ' A' ' 473' ' ' GLN . 12.7 p -63.21 -35.31 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 121.599 -0.688 . . . . 50.0 109.909 -175.639 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -63.68 -36.76 84.92 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.242 178.287 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.68 89.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 25.0 110.054 -179.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -71.2 -35.37 58.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 C-N-CA 120.656 -0.417 . . . . 50.0 109.876 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.97 65.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.138 0.494 . . . . 25.0 109.858 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.76 -44.04 28.89 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 109.094 -0.706 . . . . 50.0 109.094 177.332 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -60.67 -29.66 69.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.924 0.392 . . . . 50.0 111.28 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.7 p -77.35 -13.83 59.85 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.241 -0.584 . . . . 25.0 112.337 -175.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -108.7 -34.08 6.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.632 -0.258 . . . . 50.0 110.651 175.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -67.09 -29.37 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.015 -0.428 . . . . 50.0 110.394 178.427 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -64.24 -12.52 50.75 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.239 -0.505 . . . . 25.0 114.014 178.756 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -136.64 26.33 3.09 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.352 0.576 . . . . 50.0 109.951 176.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -82.91 144.64 29.9 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.892 -0.781 . . . . 25.0 108.892 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -83.14 3.21 85.24 Favored Glycine 0 C--O 1.221 -0.672 0 C-N-CA 120.963 -0.637 . . . . 25.0 112.103 177.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.208 -1.088 0 CA-C-O 125.717 2.675 . . . . 25.0 112.723 -179.027 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.768 0 CA-C-O 124.857 2.365 . . . . 25.0 110.856 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 17.5 t -70.48 159.09 34.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 112.725 -1.738 . . . . 25.0 109.877 -179.524 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -32.9 21.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.186 -0.461 . . . . 50.0 109.873 -178.555 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 33.2 p -154.78 162.34 41.15 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.038 -1.838 . . . . 25.0 106.038 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -135.52 -21.05 1.56 Allowed 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 113.286 0.847 . . . . 50.0 113.286 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.7 t 59.43 146.39 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 115.86 1.8 . . . . 50.0 115.86 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.75 -25.12 48.98 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.312 -1.313 . . . . 50.0 111.52 -176.238 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -85.55 -45.81 5.68 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 110.558 -1.017 . . . . 50.0 110.558 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.01 -24.97 68.17 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 111.827 0.306 . . . . 50.0 111.827 -177.319 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.53 -33.1 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.963 -0.461 . . . . 50.0 110.713 175.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 19.5 m -70.27 -38.85 75.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.645 -0.659 . . . . 50.0 110.388 179.695 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -75.14 -30.89 60.92 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.498 0.666 . . . . 25.0 109.384 -179.146 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 4.1 mtp -62.92 -44.36 96.3 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.432 -0.804 . . . . 50.0 109.056 177.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.96 -33.31 75.44 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.344 -178.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.47 -45.38 65.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.489 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.63 -32.22 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.99 -0.444 . . . . 50.0 110.743 -178.962 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -58.5 -43.45 89.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.685 -0.857 . . . . 50.0 108.685 174.727 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.97 -37.39 84.16 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.565 -0.288 . . . . 25.0 110.686 178.297 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.14 95.25 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.695 0.284 . . . . 25.0 110.955 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -60.7 -45.79 92.85 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.036 0.922 . . . . 50.0 109.009 178.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.75 -43.76 98.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.13 -0.941 . . . . 50.0 112.196 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.7 -33.15 64.27 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.482 -0.887 . . . . 50.0 112.16 -179.46 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 65.9 mtm -62.2 -39.66 93.5 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 176.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 59.1 m -55.59 -28.72 56.72 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.203 0.525 . . . . 25.0 111.028 178.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -69.17 -43.44 74.25 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.472 -0.767 . . . . 50.0 110.828 -178.206 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -72.35 -40.62 67.2 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.15 -1.056 . . . . 50.0 108.15 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 3.3 t -55.59 -42.15 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.635 -0.711 . . . . 50.0 112.444 -178.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 74.8 mt -74.46 -9.19 58.35 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.627 0.973 . . . . 50.0 113.627 -179.256 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 44.2 m170 -111.67 -6.55 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 25.0 111.184 179.209 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -91.2 145.55 24.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.354 0.597 . . . . 25.0 111.272 -176.637 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -102.07 10.94 57.15 Favored Glycine 0 C--O 1.229 -0.196 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.81 178.111 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -161.34 163.15 30.94 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 104.335 -2.469 . . . . 25.0 104.335 -178.613 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -62.47 -32.12 72.95 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 112.609 0.596 . . . . 50.0 112.609 179.379 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 51.62 26.97 3.64 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.081 1.141 . . . . 50.0 114.081 -178.427 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 30.1 t0 -59.25 -38.56 80.36 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 122.184 0.992 . . . . 50.0 110.212 179.149 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -157.77 30.39 0.27 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 105.902 -1.888 . . . . 50.0 105.902 177.038 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 45.16 45.42 9.3 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.357 -1.292 . . . . 25.0 112.065 -175.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -58.27 144.22 77.76 Favored Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 113.191 0.811 . . . . 50.0 113.191 -175.322 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -81.12 166.02 18.85 Favored 'Trans proline' 0 C--N 1.346 0.405 0 CA-C-O 121.59 0.579 . . . . 50.0 112.87 179.223 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -90.73 -139.35 8.02 Favored Glycine 0 C--N 1.323 -0.157 0 N-CA-C 109.316 -1.513 . . . . 25.0 109.316 175.595 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 10.8 p -56.86 136.91 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 108.614 -0.884 . . . . 50.0 108.614 177.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 77.2 p -65.64 134.19 52.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.095 -0.378 . . . . 25.0 110.363 -177.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -69.97 -20.3 76.1 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.885 -0.674 . . . . 25.0 114.137 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 46.1 36.69 3.27 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 178.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 73.3 m -126.52 162.73 24.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.409 0.623 . . . . 50.0 111.784 -175.185 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -151.47 162.91 40.12 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 104.979 -2.23 . . . . 25.0 104.979 -179.435 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -105.29 -72.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.308 0.575 . . . . 50.0 111.169 177.588 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -62.96 -30.91 71.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 114.183 1.179 . . . . 25.0 114.183 -176.299 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.87 86.49 Favored Glycine 0 C--N 1.319 -0.416 0 CA-C-N 115.692 -0.685 . . . . 25.0 111.645 177.713 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -68.39 -44.87 74.18 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.86 -0.793 . . . . 50.0 108.86 179.153 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -63.1 -37.09 85.84 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.536 -0.542 . . . . 50.0 109.536 -178.591 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.9 89.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.103 -0.499 . . . . 25.0 110.184 178.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -38.13 86.16 Favored 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 120.6 -0.44 . . . . 50.0 110.026 179.455 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.86 -35.29 77.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.701 -0.624 . . . . 50.0 110.358 177.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.44 -46.0 73.79 Favored Glycine 0 C--O 1.217 -0.962 0 N-CA-C 108.635 -1.786 . . . . 50.0 108.635 176.272 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.84 69.67 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.806 0.303 . . . . 25.0 111.537 179.409 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -67.9 -43.36 79.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.181 0.515 . . . . 50.0 110.88 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.69 -44.68 85.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 25.0 110.498 -178.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.75 -26.84 28.87 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.064 0 C-N-CA 120.688 -0.405 . . . . 50.0 110.384 -179.523 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.22 -33.84 69.76 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.501 0.591 . . . . 25.0 110.955 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.78 88.8 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 177.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.81 -35.41 67.32 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.666 -0.243 . . . . 25.0 110.523 176.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.409 ' HA ' HG12 ' A' ' 476' ' ' VAL . 59.0 mm-40 -67.46 -46.58 72.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.961 -0.462 . . . . 50.0 112.166 -179.121 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -62.91 -27.0 69.07 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.213 -0.662 . . . . 50.0 109.213 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -75.72 -52.92 9.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.536 -0.756 . . . . 50.0 111.087 177.743 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.4 p -63.73 -36.73 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 118.473 0.579 . . . . 50.0 109.876 -175.491 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -64.19 -34.33 77.83 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.212 178.698 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.9 97.75 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.352 -0.539 . . . . 25.0 109.945 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.08 -34.96 56.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 N-CA-C 109.822 -0.436 . . . . 50.0 109.822 -179.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.34 -26.94 61.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.226 0.536 . . . . 25.0 109.714 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.38 -42.72 20.05 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.124 0.488 . . . . 50.0 109.772 177.585 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 49.1 mtm -61.15 -28.9 69.45 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.171 -0.331 . . . . 50.0 111.505 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.9 p -79.74 -15.01 58.31 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.241 -0.583 . . . . 25.0 112.061 -176.078 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -105.5 -33.41 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.2 -0.2 . . . . 50.0 111.171 176.097 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -74.55 -32.58 62.48 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.803 -0.56 . . . . 50.0 109.927 177.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -70.16 -3.46 45.43 Favored Glycine 0 C--O 1.222 -0.627 0 C-N-CA 121.324 -0.465 . . . . 25.0 113.908 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -76.46 -15.94 59.79 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.171 -0.605 . . . . 50.0 110.962 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 47.99 35.63 5.28 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 179.293 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -79.3 63.41 3.92 Favored Glycine 0 C--O 1.228 -0.259 0 C-N-CA 121.219 -0.515 . . . . 25.0 113.814 -176.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.206 -1.216 0 CA-C-O 124.394 2.045 . . . . 25.0 112.048 179.388 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 123.21 1.45 . . . . 25.0 113.191 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 24.8 p -67.02 135.29 53.48 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 178.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 36.2 ptt-85 -156.38 165.1 37.31 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.751 -0.833 . . . . 50.0 108.751 -176.109 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 23.7 t -81.26 159.78 24.41 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.491 -1.67 . . . . 25.0 106.491 175.813 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -134.24 169.87 16.54 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.637 -0.875 . . . . 50.0 108.637 -178.053 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 41.3 p -114.04 157.51 22.43 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 103.99 -2.596 . . . . 50.0 103.99 174.311 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.5 -14.73 61.73 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.722 -0.672 . . . . 50.0 111.489 -174.25 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.2 -42.47 83.52 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 109.595 -1.402 . . . . 50.0 109.595 176.558 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -64.75 -41.59 95.79 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 108.899 -0.778 . . . . 50.0 108.899 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 83.6 t -65.71 -33.83 66.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-N 115.693 -0.685 . . . . 50.0 111.038 -178.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 67.2 m -65.36 -42.09 93.13 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.646 -0.421 . . . . 50.0 111.167 -179.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.73 -33.71 60.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.475 0.655 . . . . 25.0 109.675 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.6 ttp -63.32 -41.85 98.95 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.213 -0.662 . . . . 50.0 109.213 178.059 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.54 74.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.004 0.43 . . . . 25.0 110.154 179.313 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.98 74.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.611 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.28 -35.56 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.912 -0.315 . . . . 50.0 110.545 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -59.07 -45.46 90.76 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.495 -0.557 . . . . 50.0 109.495 175.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.72 -38.12 88.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.762 0.315 . . . . 25.0 110.421 178.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.89 97.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.443 179.459 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.437 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 2.4 mt-10 -65.14 -43.24 92.51 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.415 0.626 . . . . 50.0 109.751 179.052 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 39.4 mt -57.75 -45.61 85.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.545 -0.752 . . . . 50.0 110.86 -179.254 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -76.15 -38.94 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.719 1.007 . . . . 50.0 113.719 177.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 433' ' ' MET . . . . . 0.437 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 13.9 ptp -64.21 -37.24 86.75 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 121.424 -0.798 . . . . 50.0 112.686 -174.299 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 27.1 m -57.96 -30.17 65.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.579 0.704 . . . . 25.0 111.578 -175.111 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -65.47 -46.2 80.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.21 -0.45 . . . . 50.0 109.871 -178.197 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -72.41 -41.73 65.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.116 0.484 . . . . 50.0 110.178 178.036 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.83 -43.12 73.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 113.641 0.978 . . . . 50.0 113.641 -176.3 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.52 -29.39 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.341 0.497 . . . . 50.0 112.341 -178.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -91.78 -8.54 46.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.281 0.474 . . . . 25.0 112.281 179.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -106.06 2.8 27.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.476 -0.329 . . . . 25.0 111.163 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 148.83 -120.78 1.22 Allowed Glycine 0 C--O 1.223 -0.546 0 N-CA-C 110.634 -0.986 . . . . 25.0 110.634 -177.643 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 67.46 160.38 0.16 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 123.455 1.597 . . . . 25.0 113.642 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.91 156.46 19.16 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 104.875 -2.268 . . . . 50.0 104.875 175.549 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -140.54 23.06 2.33 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.02 -1.104 . . . . 50.0 108.02 -177.659 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.39 -19.75 59.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.215 -1.357 . . . . 50.0 110.642 -178.222 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -150.43 84.8 1.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.845 -1.909 . . . . 50.0 105.845 179.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -132.38 37.85 3.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.22 -0.9 . . . . 25.0 111.129 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -85.29 124.95 71.21 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 120.509 -0.476 . . . . 50.0 111.834 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -79.76 111.24 2.73 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 N-CA-C 116.72 1.777 . . . . 50.0 116.72 -177.051 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -80.95 49.79 4.03 Favored Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.493 -0.776 . . . . 25.0 113.946 177.402 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 8.6 p -59.6 -29.34 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 N-CA-C 114.289 1.218 . . . . 50.0 114.289 -175.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 6.8 t 53.9 -141.92 0.83 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 177.057 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 91.19 -87.48 1.35 Allowed Glycine 0 CA--C 1.517 0.18 0 N-CA-C 114.317 0.487 . . . . 25.0 114.317 177.537 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 55.78 -153.19 0.35 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.441 0.696 . . . . 25.0 111.83 -177.774 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.7 m 48.21 32.88 3.31 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.697 1.74 . . . . 50.0 115.697 178.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -73.68 119.07 17.39 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -178.215 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -101.54 -76.73 0.56 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.152 -0.931 . . . . 50.0 109.039 174.096 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -66.11 -27.34 67.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.821 0.819 . . . . 25.0 109.652 176.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -55.6 -28.95 52.95 Favored Glycine 0 C--O 1.218 -0.881 0 CA-C-N 114.63 -1.168 . . . . 25.0 113.282 178.159 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.28 -36.53 73.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.963 0.881 . . . . 50.0 112.028 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -71.11 -33.27 69.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.11 0.481 . . . . 50.0 110.094 -179.212 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.88 53.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 178.764 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.87 -36.17 81.7 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.501 -0.318 . . . . 50.0 111.153 -177.578 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.22 -27.86 68.97 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.5 -0.88 . . . . 50.0 110.339 178.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.74 -43.61 42.07 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 107.938 -2.065 . . . . 50.0 107.938 174.352 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.27 -39.94 67.35 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 120.981 0.419 . . . . 25.0 111.544 179.345 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -66.32 -42.68 87.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.097 0.475 . . . . 50.0 111.391 178.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.12 79.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.904 0.383 . . . . 25.0 110.648 -178.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.8 m -68.74 -30.99 48.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 120.893 -0.323 . . . . 50.0 110.145 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.93 -32.16 65.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 118.076 0.398 . . . . 25.0 111.258 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.28 90.51 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.843 -0.429 . . . . 25.0 109.843 177.342 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.67 67.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.726 0.298 . . . . 25.0 110.881 176.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -68.49 -43.93 75.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.131 0.491 . . . . 50.0 111.199 -179.288 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -67.24 -26.22 66.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.445 -0.784 . . . . 50.0 109.602 177.678 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -49.98 38.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.058 -0.519 . . . . 50.0 110.266 177.343 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.51 -36.59 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.838 -0.801 . . . . 50.0 108.838 -177.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.55 -36.09 82.65 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.223 177.619 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.4 -45.09 89.04 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.958 -0.464 . . . . 25.0 110.43 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -70.47 -34.4 57.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.378 -0.601 . . . . 50.0 109.378 -179.173 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.56 -28.1 66.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 178.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.78 -43.56 22.27 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 122.022 -0.424 . . . . 50.0 110.155 176.844 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.7 mtm -59.35 -28.61 67.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.087 0.47 . . . . 50.0 111.54 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.0 p -79.82 -14.14 58.9 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.045 -0.662 . . . . 25.0 111.693 -175.197 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -106.02 -36.17 7.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.768 -0.196 . . . . 50.0 110.981 174.317 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -66.6 -35.2 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.855 -0.528 . . . . 50.0 110.622 179.061 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -68.82 -8.42 57.34 Favored Glycine 0 C--O 1.226 -0.393 0 C-N-CA 120.87 -0.681 . . . . 25.0 113.09 178.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -122.9 9.32 9.4 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 122.467 -0.431 . . . . 50.0 110.911 178.477 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -67.84 -28.03 67.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.089 0.471 . . . . 25.0 110.747 -178.576 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -91.44 19.63 46.14 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 116.128 -0.487 . . . . 25.0 112.165 178.311 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 50.1 p . . . . . 0 C--O 1.206 -1.193 0 CA-C-O 124.832 2.253 . . . . 25.0 112.087 -177.604 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.004 0 CA-C-O 123.046 1.359 . . . . 25.0 113.152 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 42.0 t -163.3 -53.1 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.857 -0.79 . . . . 25.0 110.138 179.449 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -80.95 -35.09 32.68 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.879 -0.785 . . . . 50.0 108.879 177.004 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 18.6 m -88.46 147.28 24.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.554 -1.647 . . . . 25.0 106.554 173.791 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -146.57 151.8 37.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.793 -0.817 . . . . 50.0 108.793 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.6 m -89.62 32.14 0.89 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.671 0.989 . . . . 50.0 113.671 -178.016 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 62.7 -53.21 0.17 Allowed 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 117.748 2.499 . . . . 50.0 117.748 176.81 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.55 -25.95 72.79 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 109.939 -1.265 . . . . 50.0 109.939 178.706 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -64.01 -29.11 70.29 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.848 -0.676 . . . . 50.0 111.053 178.151 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.55 -28.71 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.161 0.505 . . . . 50.0 109.713 -178.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 45.3 m -67.38 -37.48 83.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.829 -0.545 . . . . 50.0 110.004 177.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -75.68 -32.69 60.23 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 121.829 0.823 . . . . 25.0 109.172 178.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 50.5 ttm -60.45 -35.22 75.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.792 -0.64 . . . . 50.0 110.591 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.94 73.22 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.919 0.39 . . . . 25.0 110.62 178.24 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.22 -36.83 66.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 178.272 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.71 -42.36 94.78 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 N-CA-C 109.254 -0.647 . . . . 50.0 109.254 177.75 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.35 -44.44 88.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.899 0.381 . . . . 50.0 110.403 178.274 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.06 89.39 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.864 0.364 . . . . 25.0 110.51 178.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.61 90.14 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.268 -0.424 . . . . 25.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.34 -40.6 94.86 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.805 0.812 . . . . 50.0 110.65 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 73.1 mt -59.71 -45.64 91.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.284 -0.871 . . . . 50.0 110.822 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.76 -30.86 63.03 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 119.815 -0.754 . . . . 50.0 111.608 177.477 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 9.4 tpp -63.21 -41.98 99.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.805 -0.559 . . . . 50.0 109.656 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 44.6 m -60.37 -44.19 95.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.955 0.407 . . . . 25.0 111.422 -179.438 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -71.38 -22.64 61.86 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.25 -0.98 . . . . 50.0 110.102 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -75.09 -47.97 26.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.602 0.593 . . . . 50.0 112.602 175.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 25.1 m -64.0 -30.18 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 113.75 1.019 . . . . 50.0 113.75 -176.497 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.32 -18.54 64.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.215 -0.448 . . . . 50.0 111.909 178.099 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -110.27 11.76 23.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.859 0.361 . . . . 25.0 110.703 177.332 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -132.22 38.88 3.45 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 -178.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -63.0 154.21 44.19 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 111.439 -0.664 . . . . 25.0 111.439 179.339 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -149.62 -168.99 3.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 -177.013 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 59.21 -177.49 0.09 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 126.125 1.77 . . . . 50.0 115.544 -176.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -152.51 26.2 0.59 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.876 -1.527 . . . . 50.0 106.876 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.99 -39.41 89.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.222 -0.899 . . . . 50.0 112.386 -172.135 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -103.5 19.09 20.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.723 -0.672 . . . . 50.0 111.911 -177.285 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -88.09 41.41 1.0 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -174.638 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.98 139.76 80.09 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.608 -0.516 . . . . 50.0 109.608 177.902 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.63 -1.39 11.44 Favored 'Trans proline' 0 CA--C 1.534 0.518 0 CA-C-O 121.549 0.562 . . . . 50.0 111.613 176.56 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 149.94 127.61 1.52 Allowed Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 106.083 -2.807 . . . . 25.0 106.083 -178.59 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.94 138.15 22.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 121.821 0.819 . . . . 50.0 110.925 -176.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 80.7 p -63.1 137.06 58.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.281 -179.403 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 90.14 -1.0 79.48 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.149 -0.548 . . . . 25.0 114.199 178.508 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -59.75 145.16 46.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 117.294 0.547 . . . . 25.0 110.659 178.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.9 m 50.92 33.01 8.05 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.17 1.545 . . . . 50.0 115.17 178.153 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -61.16 125.08 22.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.168 -0.332 . . . . 25.0 110.798 178.765 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -93.66 -68.72 0.79 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.41 -0.589 . . . . 50.0 109.41 174.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -63.46 -26.37 68.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.252 0.548 . . . . 25.0 111.395 178.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.05 -29.83 68.98 Favored Glycine 0 C--O 1.219 -0.801 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.101 178.203 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -62.97 -36.05 82.2 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.201 -0.588 . . . . 50.0 110.913 179.221 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -69.63 -32.93 71.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.173 -0.677 . . . . 50.0 109.173 -179.51 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.35 -47.79 46.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.769 -0.651 . . . . 25.0 109.811 178.334 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.17 -33.91 75.33 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.632 -0.427 . . . . 50.0 111.835 -176.886 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -67.3 -28.6 68.14 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.076 -0.649 . . . . 50.0 110.645 177.659 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -74.02 -38.01 48.81 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 108.474 -1.85 . . . . 50.0 108.474 176.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.03 -37.55 64.23 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 120.942 0.401 . . . . 25.0 111.284 179.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -65.44 -43.2 91.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.083 0.468 . . . . 50.0 112.193 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.72 -44.19 70.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.287 0.565 . . . . 25.0 110.618 -177.641 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.4 m -68.85 -26.52 32.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 116.284 -0.417 . . . . 50.0 110.805 -178.763 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.09 -31.74 63.5 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.969 0.359 . . . . 25.0 111.969 -179.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.5 91.3 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 177.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.64 -36.87 68.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 176.805 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.413 ' HA ' HG11 ' A' ' 476' ' ' VAL . 67.5 mm-40 -66.02 -46.56 77.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.216 0.45 . . . . 50.0 112.216 -178.776 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.31 -27.78 69.56 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.417 -0.513 . . . . 50.0 109.647 178.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.99 -51.71 17.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.932 -0.577 . . . . 50.0 110.751 177.086 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' A' ' 473' ' ' GLN . 13.4 p -63.37 -35.96 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 118.749 0.704 . . . . 50.0 109.495 -176.098 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -62.76 -35.97 81.56 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.349 178.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.39 91.83 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.318 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.75 -35.54 61.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.541 0 N-CA-C 109.788 -0.449 . . . . 50.0 109.788 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.11 -26.93 65.12 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.412 0.625 . . . . 25.0 109.951 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -78.67 -42.76 27.73 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.611 -0.514 . . . . 50.0 109.611 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.3 mtm -61.21 -27.16 68.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.984 0.421 . . . . 50.0 111.485 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.7 p -78.8 -17.93 54.93 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.962 -0.695 . . . . 25.0 111.99 -176.49 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -102.81 -35.02 8.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.778 -0.192 . . . . 50.0 110.808 176.056 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -68.98 -24.65 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.96 -0.756 . . . . 50.0 108.96 176.039 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -72.93 3.63 27.35 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.516 -0.373 . . . . 25.0 113.057 176.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -108.54 4.97 24.69 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.572 -0.899 . . . . 50.0 108.572 176.377 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 63.34 -70.74 0.06 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.758 1.623 . . . . 25.0 114.836 -179.38 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 78.05 -52.68 3.69 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-O 121.928 0.738 . . . . 25.0 112.579 -178.023 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.211 -0.964 0 CA-C-O 123.634 1.683 . . . . 25.0 113.499 179.313 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 122.607 1.115 . . . . 25.0 113.12 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 16.7 m 52.66 26.97 4.76 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.768 1.395 . . . . 25.0 114.768 178.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -89.51 74.28 7.71 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.362 -1.718 . . . . 50.0 106.362 178.084 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 19.6 m 66.46 -177.07 0.19 Allowed 'General case' 0 N--CA 1.469 0.475 0 O-C-N 124.89 1.369 . . . . 25.0 107.92 -173.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -159.79 156.39 27.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.914 -0.402 . . . . 50.0 109.914 -177.024 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 35.7 m -91.68 33.67 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.92 0.488 . . . . 50.0 110.304 178.191 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 64.66 -41.64 0.28 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.902 1.816 . . . . 50.0 115.902 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -63.41 -28.2 71.99 Favored Glycine 0 C--O 1.221 -0.71 0 N-CA-C 111.489 -0.644 . . . . 50.0 111.489 178.545 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -59.99 -40.65 89.87 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 121.423 0.63 . . . . 50.0 109.9 178.731 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 55.2 t -72.43 -36.27 54.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.072 -0.513 . . . . 50.0 109.617 -178.55 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.7 m -65.49 -40.34 92.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.541 -0.3 . . . . 50.0 111.581 179.251 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.23 -35.52 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.461 0.648 . . . . 25.0 109.412 179.675 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 61.5 ttp -63.3 -37.89 89.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 50.0 110.04 179.482 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.4 71.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.037 0.446 . . . . 25.0 110.307 178.266 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.82 71.34 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 178.046 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 64.0 t -66.34 -42.75 91.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.271 -0.64 . . . . 50.0 109.271 177.663 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.44 -44.83 92.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.305 0.574 . . . . 50.0 109.584 178.021 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.15 89.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.95 -0.469 . . . . 25.0 110.721 179.234 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.2 88.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.306 -0.407 . . . . 25.0 111.953 -178.274 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -68.1 -32.11 72.19 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.372 -0.931 . . . . 50.0 110.254 -178.758 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.18 -44.43 84.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.768 -0.373 . . . . 50.0 110.526 178.429 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -73.69 -32.25 63.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.691 -0.804 . . . . 50.0 111.459 178.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 61.5 mtm -64.4 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.8 -0.815 . . . . 50.0 108.8 177.665 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 73.0 m -61.69 -37.21 83.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 176.719 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -65.87 -46.97 76.47 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.415 -0.803 . . . . 50.0 109.101 177.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -45.94 89.92 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.302 0.482 . . . . 50.0 112.302 -177.841 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.88 -37.72 78.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 C-N-CA 120.492 -0.483 . . . . 50.0 112.124 -179.708 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.2 mt -68.12 -36.96 80.57 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.82 -0.55 . . . . 50.0 111.474 178.624 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -70.89 -36.84 72.91 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.239 -0.184 . . . . 25.0 111.008 179.649 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.76 -25.1 53.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.953 0.406 . . . . 25.0 111.324 179.512 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 80.11 -160.93 44.91 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 108.582 -1.807 . . . . 25.0 108.582 -176.551 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -148.2 176.07 10.54 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -132.52 159.43 39.46 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.487 -1.688 . . . . 50.0 109.174 -173.786 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -136.62 26.56 3.09 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.239 -0.652 . . . . 50.0 109.239 179.494 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -17.17 61.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.886 -0.597 . . . . 50.0 110.622 -176.541 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -93.44 18.93 8.98 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.296 0.569 . . . . 50.0 110.92 -179.017 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -90.95 17.14 8.25 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.295 0.85 . . . . 25.0 113.295 -176.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -65.74 141.29 97.69 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.769 -0.651 . . . . 50.0 110.599 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.63 135.53 24.14 Favored 'Trans proline' 0 C--N 1.345 0.382 0 N-CA-C 114.516 0.929 . . . . 50.0 114.516 -176.878 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -125.05 39.06 2.16 Favored Glycine 0 C--O 1.225 -0.412 0 CA-C-N 114.906 -1.043 . . . . 25.0 113.898 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.4 -29.74 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 120.785 0.326 . . . . 50.0 111.336 -178.258 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 2.8 t 55.68 -148.5 0.48 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 176.951 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -171.12 176.31 44.5 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 108.456 -1.858 . . . . 25.0 108.456 -179.472 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.37 89.63 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 117.692 0.746 . . . . 25.0 112.355 -178.593 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.7 m -83.77 64.56 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.833 0.349 . . . . 50.0 111.191 -179.283 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -144.74 146.92 32.4 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.628 -0.26 . . . . 25.0 111.265 -177.523 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -105.68 -60.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.604 0.716 . . . . 50.0 109.365 172.267 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -62.96 -30.97 71.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.395 0.617 . . . . 25.0 111.741 -179.092 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -62.92 -31.39 80.38 Favored Glycine 0 C--O 1.221 -0.71 0 CA-C-N 115.738 -0.665 . . . . 25.0 111.866 178.755 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -66.43 -37.53 85.39 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.141 -0.689 . . . . 50.0 109.141 179.376 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -68.42 -35.9 78.3 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.649 -0.5 . . . . 50.0 109.649 179.11 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.01 93.38 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 177.693 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -37.52 85.52 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 120.651 -0.42 . . . . 50.0 110.277 179.28 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.02 -33.93 72.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 119.008 0.822 . . . . 50.0 110.498 175.439 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.28 -48.66 62.51 Favored Glycine 0 C--O 1.216 -1.029 0 N-CA-C 108.117 -1.993 . . . . 50.0 108.117 176.047 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.09 64.43 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.214 0.45 . . . . 25.0 112.214 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -70.87 -41.23 71.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.052 0.453 . . . . 50.0 110.954 178.838 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.15 78.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.08 0.467 . . . . 25.0 110.56 -178.601 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.8 m -68.94 -26.45 32.5 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 110.204 -0.295 . . . . 50.0 110.204 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.98 -33.38 67.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 118.297 0.498 . . . . 25.0 110.733 179.109 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.76 87.68 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 177.352 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.83 -33.5 66.21 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.651 -0.249 . . . . 25.0 110.639 176.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.418 ' HA ' HG13 ' A' ' 476' ' ' VAL . 54.5 mm-40 -68.32 -46.03 71.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.016 0.436 . . . . 50.0 111.404 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.22 -26.72 68.63 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.294 -0.632 . . . . 50.0 109.294 178.021 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.41 -51.2 18.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.049 -0.523 . . . . 50.0 110.633 177.378 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.418 HG13 ' HA ' ' A' ' 473' ' ' GLN . 13.6 p -63.66 -35.47 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 118.758 0.708 . . . . 50.0 109.155 -176.863 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -62.6 -36.24 82.11 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.847 -0.615 . . . . 25.0 110.382 177.832 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.75 93.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.127 -0.358 . . . . 25.0 110.213 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.67 -34.75 58.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 N-CA-C 109.642 -0.503 . . . . 50.0 109.642 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.05 -27.0 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.38 0.61 . . . . 25.0 109.924 179.285 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.04 -42.21 27.04 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.635 -0.506 . . . . 50.0 109.635 177.118 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.4 mtm -62.32 -29.76 70.67 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.877 0.37 . . . . 50.0 111.199 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.8 p -76.45 -34.54 58.72 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.441 -0.904 . . . . 25.0 110.184 -175.425 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -80.75 -32.42 35.6 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.356 -0.538 . . . . 50.0 110.471 175.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -66.44 -29.88 70.12 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.758 -0.589 . . . . 50.0 109.671 177.527 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -68.79 -9.06 58.55 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 121.25 -0.5 . . . . 25.0 112.761 177.316 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -116.01 -13.44 11.25 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.477 -0.425 . . . . 50.0 111.196 177.376 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -152.22 85.84 1.28 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 -178.96 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -63.79 -21.32 65.16 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-O 122.252 0.918 . . . . 25.0 113.073 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 C--O 1.211 -0.941 0 CA-C-O 123.916 1.817 . . . . 25.0 109.93 178.901 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.663 0 CA-C-O 123.854 1.808 . . . . 25.0 110.438 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 8.3 t 55.22 33.04 19.76 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 111.543 -2.328 . . . . 25.0 110.523 -179.427 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -143.07 -16.88 0.67 Allowed 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 113.465 0.913 . . . . 50.0 113.465 -177.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 15.0 m -89.84 -23.88 21.57 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.009 0.433 . . . . 25.0 110.343 -179.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -165.83 156.83 13.54 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 106.352 -1.722 . . . . 50.0 106.352 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.9 m -95.51 35.78 1.31 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.13 0.572 . . . . 50.0 112.406 178.795 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 63.18 -57.34 0.17 Allowed 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 117.632 2.456 . . . . 50.0 117.632 176.865 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.27 -26.45 72.59 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 109.994 -1.242 . . . . 50.0 109.994 179.237 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.17 -32.51 73.13 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-N 114.738 -0.731 . . . . 50.0 110.872 178.027 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 48.5 t -66.0 -34.77 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.216 0.532 . . . . 50.0 109.955 -179.18 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.1 m -70.36 -37.21 74.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.002 -0.436 . . . . 50.0 110.763 178.676 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.23 -33.41 65.32 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 121.598 0.713 . . . . 25.0 109.249 179.43 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.24 -33.2 71.94 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.98 -0.555 . . . . 50.0 111.495 179.729 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.08 -30.44 70.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.271 0.557 . . . . 25.0 110.237 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.62 60.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 177.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.39 -44.51 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.862 -0.792 . . . . 50.0 108.862 177.379 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -55.88 -46.53 78.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.944 0.402 . . . . 50.0 110.35 178.721 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.25 -42.03 99.13 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.986 -0.446 . . . . 25.0 110.954 -179.389 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.7 72.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.937 -178.353 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.25 -31.29 69.74 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.942 -0.703 . . . . 50.0 109.473 -178.337 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.44 -43.45 94.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.429 -0.508 . . . . 50.0 110.702 177.929 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.95 -32.18 67.03 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.122 -1.031 . . . . 50.0 111.358 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.5 mtm -67.13 -37.65 84.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 174.793 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 92.2 m -61.34 -40.89 95.92 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 177.341 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -62.18 -43.15 99.47 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.491 0.662 . . . . 50.0 109.346 178.856 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.65 -46.58 87.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.071 -0.968 . . . . 50.0 113.26 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.9 m -72.04 -32.59 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.667 0.988 . . . . 50.0 113.667 -177.417 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.8 -17.16 63.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.958 0.355 . . . . 50.0 111.958 178.077 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -92.64 -3.32 55.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.74 0.305 . . . . 25.0 110.697 177.326 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -102.12 168.85 9.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -163.03 108.27 0.34 Allowed Glycine 0 C--O 1.228 -0.273 0 C-N-CA 120.354 -0.927 . . . . 25.0 114.055 178.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -161.33 -172.12 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.203 -2.147 . . . . 25.0 105.203 177.121 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -133.39 163.7 28.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.389 -1.338 . . . . 50.0 107.389 -178.904 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -136.25 20.11 3.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.289 -1.374 . . . . 50.0 107.289 177.477 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -67.13 -35.54 79.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.049 -1.432 . . . . 50.0 110.041 -173.927 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -103.58 22.05 15.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.8 -1.091 . . . . 50.0 110.53 -177.458 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -114.61 45.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -172.398 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.16 140.56 97.94 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.932 -0.766 . . . . 50.0 108.932 176.403 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.31 -24.49 16.59 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 117.811 -0.993 . . . . 50.0 113.728 -178.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 72.33 -60.13 1.51 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 115.722 1.049 . . . . 25.0 115.722 179.25 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.9 127.71 37.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.388 0.613 . . . . 50.0 109.888 -177.768 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 77.8 p -148.21 161.4 41.55 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 104.837 -2.283 . . . . 25.0 104.837 177.24 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -83.56 -61.44 1.88 Allowed Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.202 -0.999 . . . . 25.0 113.663 -178.33 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 52.56 -154.51 0.2 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.057 0.543 . . . . 25.0 110.23 -177.449 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.9 t 37.6 42.09 0.34 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 116.57 2.063 . . . . 50.0 116.57 176.705 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -64.45 154.07 36.89 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 -179.567 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -100.01 -76.86 0.54 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.581 -0.525 . . . . 50.0 109.581 175.404 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -64.52 -26.31 68.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.348 0.594 . . . . 25.0 111.323 178.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.68 -29.18 66.6 Favored Glycine 0 C--O 1.222 -0.631 0 CA-C-N 115.544 -0.753 . . . . 25.0 112.438 178.721 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -66.01 -39.89 90.63 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 117.768 0.784 . . . . 50.0 110.534 179.472 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.32 -34.94 77.03 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.073 -0.714 . . . . 50.0 109.073 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.98 93.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.086 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -35.22 79.92 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 122.088 -0.382 . . . . 50.0 110.419 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -59.03 -36.4 74.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.721 0.692 . . . . 50.0 110.332 176.58 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.21 -45.65 60.77 Favored Glycine 0 C--O 1.22 -0.728 0 N-CA-C 109.075 -1.61 . . . . 50.0 109.075 176.408 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.38 -39.33 67.09 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 122.555 0.342 . . . . 25.0 111.78 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -65.76 -44.4 85.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.085 0.469 . . . . 50.0 111.21 178.913 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.94 82.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.007 0.432 . . . . 25.0 110.518 -178.167 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.5 m -70.01 -28.86 37.93 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.849 0 C-N-CA 120.812 -0.355 . . . . 50.0 110.974 -179.022 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.3 68.59 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.306 0.503 . . . . 25.0 111.307 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.8 82.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.159 -0.311 . . . . 25.0 110.159 177.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -74.46 -36.47 63.33 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.808 -0.178 . . . . 25.0 110.952 176.652 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -66.98 -46.06 75.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.188 0.518 . . . . 50.0 111.875 -178.741 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -63.41 -28.97 70.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.268 -0.641 . . . . 50.0 109.268 178.627 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.75 -51.42 22.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 50.0 111.046 177.765 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.29 -36.59 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 118.631 0.651 . . . . 50.0 109.387 -176.364 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.83 -35.98 82.39 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.407 178.119 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.98 90.94 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.611 -0.435 . . . . 25.0 110.501 -179.5 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.05 -35.41 53.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.636 -0.505 . . . . 50.0 109.636 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.83 65.5 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.403 0.62 . . . . 25.0 109.965 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.76 -41.64 44.01 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.587 0.708 . . . . 50.0 109.338 177.843 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -63.46 -28.2 69.8 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 122.027 -0.421 . . . . 50.0 111.112 178.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.3 p -84.85 -8.5 58.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.142 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -108.82 -28.56 9.11 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.635 -0.257 . . . . 50.0 111.016 174.264 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -82.63 -25.47 33.12 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 118.336 0.516 . . . . 50.0 111.728 176.508 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 71.08 21.8 78.41 Favored Glycine 0 C--O 1.22 -0.744 0 C-N-CA 120.732 -0.747 . . . . 25.0 112.596 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -105.35 28.76 7.05 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 122.389 -0.477 . . . . 50.0 112.198 -176.1 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -78.57 105.31 9.76 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.591 -1.262 . . . . 25.0 107.591 177.419 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -60.91 -36.38 92.01 Favored Glycine 0 C--O 1.223 -0.589 0 CA-C-O 121.787 0.66 . . . . 25.0 113.656 -178.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.207 -1.179 0 CA-C-O 124.127 1.918 . . . . 25.0 112.992 178.762 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.913 0 CA-C-O 125.414 2.674 . . . . 25.0 110.952 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 20.0 m -63.03 139.22 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 113.163 -1.519 . . . . 25.0 109.842 178.856 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 58.77 26.0 14.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.467 1.284 . . . . 50.0 114.467 179.347 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 65.9 p -74.63 140.99 44.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 174.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -158.74 163.53 36.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.328 -0.99 . . . . 50.0 108.328 179.091 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.64 116.26 27.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.276 1.036 . . . . 50.0 111.227 179.395 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.96 -33.22 73.89 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.323 -1.308 . . . . 50.0 112.044 -178.084 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.99 -35.06 88.86 Favored Glycine 0 C--O 1.22 -0.719 0 C-N-CA 120.614 -0.803 . . . . 50.0 112.843 -179.483 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -69.84 -38.6 76.57 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.076 -0.713 . . . . 50.0 109.076 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.49 -26.71 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.993 0.425 . . . . 50.0 109.968 178.71 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.3 m -66.26 -38.15 87.15 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.588 -0.695 . . . . 50.0 110.06 177.265 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -75.75 -32.99 60.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.9 0.857 . . . . 25.0 109.105 177.359 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 39.0 ttm -62.32 -33.61 75.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.676 -0.693 . . . . 50.0 109.955 178.87 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.29 70.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.879 178.744 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.24 72.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 177.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.83 -43.72 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.878 -0.786 . . . . 50.0 108.878 177.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.12 -41.9 93.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.816 -0.439 . . . . 50.0 109.816 178.011 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.33 93.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.376 -0.202 . . . . 25.0 110.736 179.444 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.73 -45.03 84.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.86 0.362 . . . . 25.0 110.299 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.59 -45.49 93.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.75 0.786 . . . . 50.0 109.401 179.502 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 50.7 mt -62.64 -46.35 88.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.41 -0.813 . . . . 50.0 111.783 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.81 -32.18 71.71 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.329 -0.948 . . . . 50.0 111.189 -177.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 63.6 mtm -66.36 -43.9 84.7 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.59 -0.893 . . . . 50.0 108.59 176.534 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 55.7 m -61.34 -40.31 93.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.179 0.514 . . . . 25.0 109.999 178.232 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -67.58 -39.13 84.88 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.955 -1.091 . . . . 50.0 110.081 178.333 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -61.82 -41.82 98.26 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.266 0.469 . . . . 50.0 112.266 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.59 -32.98 30.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.608 0.595 . . . . 50.0 112.608 179.646 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.37 -39.04 74.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.625 -0.262 . . . . 50.0 111.535 176.812 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -75.76 -58.72 3.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 178.281 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . 46.57 -155.63 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.909 1.448 . . . . 25.0 114.909 178.748 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -91.55 -174.02 43.06 Favored Glycine 0 C--O 1.226 -0.362 0 N-CA-C 110.531 -1.028 . . . . 25.0 110.531 178.955 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -76.42 14.1 0.83 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? 47.26 -128.25 1.64 Allowed 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.99 0.916 . . . . 50.0 111.229 -178.466 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -118.53 26.01 9.88 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.221 -1.4 . . . . 50.0 107.221 179.4 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 14.4 t0 62.63 -63.96 0.1 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.603 2.361 . . . . 50.0 114.079 -177.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -136.66 10.22 3.14 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 122.629 1.204 . . . . 50.0 111.327 178.83 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 54.99 19.28 2.62 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 115.887 1.81 . . . . 25.0 115.887 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -75.92 148.55 81.93 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 116.054 -0.521 . . . . 50.0 109.834 178.629 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -80.87 -6.16 13.2 Favored 'Trans proline' 0 C--N 1.35 0.629 0 N-CA-C 113.515 0.544 . . . . 50.0 113.515 -179.381 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 174.79 169.48 36.78 Favored Glycine 0 N--CA 1.448 -0.564 1 N-CA-C 101.148 -4.781 . . . . 25.0 101.148 -178.789 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.04 106.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 119.256 1.528 . . . . 50.0 111.137 -176.801 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 17.2 m -81.46 -16.58 51.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.33 -0.85 . . . . 25.0 111.952 -177.611 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 131.26 -124.12 4.0 Favored Glycine 0 C--O 1.221 -0.671 0 N-CA-C 110.129 -1.188 . . . . 25.0 110.129 -178.284 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 56.95 18.14 3.75 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.3 p 62.96 178.87 0.15 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.827 1.251 . . . . 50.0 111.722 -177.022 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -78.51 87.33 4.49 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.552 -0.718 . . . . 25.0 111.179 -178.488 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -91.69 -76.75 0.44 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 107.828 -1.175 . . . . 50.0 107.828 172.774 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -60.69 -30.91 70.23 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 122.362 1.077 . . . . 25.0 109.41 175.179 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -52.49 -28.88 30.03 Favored Glycine 0 C--O 1.221 -0.658 0 CA-C-N 113.972 -1.467 . . . . 25.0 114.078 178.053 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.12 -39.9 91.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.317 1.058 . . . . 50.0 111.589 -179.805 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -68.03 -38.64 82.76 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.64 -0.874 . . . . 50.0 108.64 -178.156 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.92 86.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.432 -0.804 . . . . 25.0 110.892 179.128 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -35.2 80.18 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 122.152 -0.342 . . . . 50.0 110.689 -178.73 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -59.47 -36.14 75.41 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.633 -0.827 . . . . 50.0 110.816 175.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.38 -47.15 64.91 Favored Glycine 0 C--O 1.219 -0.816 0 N-CA-C 108.072 -2.011 . . . . 50.0 108.072 175.855 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.09 -37.6 64.44 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 112.363 0.505 . . . . 25.0 112.363 179.442 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -72.06 -40.55 68.24 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.834 -0.541 . . . . 50.0 111.249 178.653 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.06 85.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.184 0.516 . . . . 25.0 109.791 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.7 m -69.65 -28.37 37.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-N 116.439 -0.346 . . . . 50.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.98 -29.24 65.07 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.97 0.35 . . . . 25.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.11 86.18 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 177.213 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -74.77 -34.35 62.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.692 0.282 . . . . 25.0 110.694 175.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.418 ' HA ' HG13 ' A' ' 476' ' ' VAL . 55.7 mm-40 -69.94 -45.13 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.118 0.485 . . . . 50.0 111.732 -177.534 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -63.19 -28.29 69.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.945 -0.761 . . . . 50.0 108.945 178.292 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.09 -51.72 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.589 -0.732 . . . . 50.0 110.783 178.509 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.418 HG13 ' HA ' ' A' ' 473' ' ' GLN . 11.5 p -63.17 -36.36 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 118.632 0.651 . . . . 50.0 109.447 -176.739 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -63.06 -36.37 83.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.856 -0.611 . . . . 25.0 110.427 177.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.36 93.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.597 -0.441 . . . . 25.0 110.354 -179.338 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.12 -34.68 55.76 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 N-CA-C 109.719 -0.475 . . . . 50.0 109.719 -179.12 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.93 65.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.328 0.585 . . . . 25.0 109.744 179.492 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.98 -42.08 24.62 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 121.276 0.56 . . . . 50.0 109.861 177.041 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.3 mtm -62.25 -27.18 68.83 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 116.347 -0.388 . . . . 50.0 111.842 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.7 p -79.25 -36.06 40.53 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 119.152 -1.019 . . . . 25.0 110.014 -176.401 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -79.93 -29.05 39.66 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.416 -0.514 . . . . 50.0 111.009 177.76 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -79.23 -31.7 43.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 118.42 0.555 . . . . 50.0 110.885 177.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -71.77 -19.52 78.12 Favored Glycine 0 C--O 1.228 -0.273 0 N-CA-C 111.959 -0.457 . . . . 25.0 111.959 178.647 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 49.6 33.82 6.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.62 1.168 . . . . 50.0 113.457 177.012 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -141.1 153.45 45.44 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -178.506 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 79.19 -60.45 4.24 Favored Glycine 0 C--O 1.226 -0.386 0 N-CA-C 111.621 -0.592 . . . . 25.0 111.621 -178.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.209 -1.055 0 CA-C-O 123.903 1.811 . . . . 25.0 111.203 -179.393 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.849 0 CA-C-O 123.921 1.845 . . . . 25.0 111.209 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 41.7 p -70.77 14.66 0.13 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 112.752 -1.724 . . . . 25.0 114.447 -176.457 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -149.36 32.74 0.72 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.581 -1.266 . . . . 50.0 107.581 177.732 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 20.4 m -146.19 -179.16 6.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.231 -0.895 . . . . 25.0 110.068 -177.747 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.4 52.23 0.76 Allowed 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.773 1.027 . . . . 50.0 113.773 -178.674 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.5 t -85.85 25.59 1.09 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.724 -0.61 . . . . 50.0 111.838 -178.865 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 63.37 -46.79 0.23 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 116.908 2.188 . . . . 50.0 116.908 178.118 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.53 95.4 Favored Glycine 0 C--O 1.222 -0.617 0 N-CA-C 109.584 -1.406 . . . . 50.0 109.584 177.721 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.32 -37.67 84.1 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 121.867 0.842 . . . . 50.0 110.206 179.035 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 17.3 t -69.6 -34.23 60.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.593 -0.731 . . . . 50.0 109.913 -178.128 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.2 m -69.59 -37.1 76.78 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.784 -0.45 . . . . 50.0 109.784 178.707 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.35 -32.04 68.07 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 178.448 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 3.0 tpp -59.74 -33.62 71.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.948 0.404 . . . . 50.0 110.534 178.482 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.54 -31.69 71.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.915 0.388 . . . . 25.0 110.337 178.321 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.22 -36.74 66.54 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 178.082 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.84 -44.39 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.893 -0.78 . . . . 50.0 108.893 177.404 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.59 -46.12 87.64 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.958 0.408 . . . . 50.0 109.942 178.0 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.13 88.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.231 -0.293 . . . . 25.0 110.723 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.67 -44.4 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.691 179.593 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.36 -43.45 98.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.84 0.829 . . . . 50.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.09 -42.59 98.79 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.361 -0.836 . . . . 50.0 111.086 178.588 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -72.83 -32.23 65.35 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.815 -0.754 . . . . 50.0 111.079 179.051 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 3.1 tpp -62.89 -46.23 88.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.582 -0.896 . . . . 50.0 108.582 177.028 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 32.2 m -59.16 -44.83 92.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 -177.564 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -67.3 -31.1 71.16 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.23 -0.919 . . . . 50.0 109.787 179.376 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -72.34 -44.42 62.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.478 0.918 . . . . 50.0 113.478 178.981 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.78 -32.61 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 113.407 0.892 . . . . 50.0 113.407 -177.065 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.15 -23.47 63.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.333 0.494 . . . . 50.0 112.333 179.159 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -97.45 -6.56 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -110.63 165.17 12.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -173.169 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 91.48 -176.44 39.98 Favored Glycine 0 C--O 1.227 -0.288 0 CA-C-N 114.959 -1.018 . . . . 25.0 112.66 177.845 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -140.47 84.5 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.248 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.56 151.02 38.0 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.647 -1.242 . . . . 50.0 107.647 179.512 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -135.29 26.96 3.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.92 0.391 . . . . 50.0 111.369 -177.634 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.79 -30.98 64.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.831 -0.622 . . . . 50.0 112.324 -178.05 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -120.36 18.96 12.16 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.735 0.779 . . . . 50.0 110.357 -178.797 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -119.77 46.37 1.95 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.721 -0.672 . . . . 25.0 111.555 -173.672 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.18 136.62 95.52 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 108.402 -0.962 . . . . 50.0 108.402 176.237 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -76.2 -5.89 16.69 Favored 'Trans proline' 0 C--N 1.345 0.359 0 CA-C-O 121.009 0.337 . . . . 50.0 112.884 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -159.86 77.52 0.18 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 109.683 -1.367 . . . . 25.0 109.683 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 81.8 t -55.91 127.58 15.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.415 -0.957 . . . . 50.0 108.415 -179.343 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 69.9 m -124.7 171.92 9.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.793 -0.64 . . . . 25.0 111.594 -174.953 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 88.07 -52.9 4.17 Favored Glycine 0 C--O 1.229 -0.212 0 CA-C-N 116.195 -0.457 . . . . 25.0 112.332 179.281 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -144.67 135.6 24.93 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.792 -0.448 . . . . 25.0 109.792 178.655 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.9 m -85.94 -0.84 56.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.101 0.408 . . . . 50.0 112.101 179.29 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 64.28 160.36 0.1 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.051 1.34 . . . . 25.0 113.572 -178.361 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -105.72 -76.74 0.6 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.186 0.517 . . . . 50.0 109.875 174.779 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -68.69 -25.69 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.479 0.657 . . . . 25.0 111.074 177.677 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.51 -31.58 63.48 Favored Glycine 0 C--O 1.218 -0.884 0 CA-C-N 115.196 -0.911 . . . . 25.0 112.432 178.759 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.14 -34.48 76.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.156 -0.614 . . . . 50.0 111.444 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -76.21 -35.62 58.98 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.642 -0.662 . . . . 50.0 109.461 178.187 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.54 95.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.515 178.704 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -34.31 77.79 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 122.138 -0.351 . . . . 50.0 110.441 179.422 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.6 -31.38 71.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.443 -0.786 . . . . 50.0 110.422 176.68 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.55 46.93 Favored Glycine 0 C--O 1.217 -0.952 0 N-CA-C 108.303 -1.919 . . . . 50.0 108.303 175.089 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.55 -39.51 67.79 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 120.966 0.412 . . . . 25.0 111.358 179.161 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -65.65 -43.17 90.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.197 0.523 . . . . 50.0 111.247 178.462 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.27 79.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.964 0.412 . . . . 25.0 110.612 -178.251 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.5 m -69.71 -29.71 42.09 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 C-N-CA 120.836 -0.346 . . . . 50.0 110.149 -179.562 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.93 65.48 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.127 0.421 . . . . 25.0 111.632 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.24 90.32 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 177.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -34.55 67.25 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 120.638 0.256 . . . . 25.0 110.512 176.548 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.421 ' HA ' HG13 ' A' ' 476' ' ' VAL . 54.2 mm-40 -67.93 -47.21 69.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.864 0.364 . . . . 50.0 111.966 -179.2 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.15 -26.31 68.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.313 -0.625 . . . . 50.0 109.313 178.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -52.2 13.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 50.0 110.732 177.108 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.421 HG13 ' HA ' ' A' ' 473' ' ' GLN . 12.6 p -63.94 -38.71 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 118.788 0.722 . . . . 50.0 110.034 -175.658 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -64.71 -30.62 71.64 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.099 179.097 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.9 96.64 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.287 -0.565 . . . . 25.0 110.077 179.875 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.15 -32.92 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 -178.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.98 65.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 178.656 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.19 -43.11 19.79 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.081 0.467 . . . . 50.0 110.493 176.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.0 mtm -61.66 -24.96 67.08 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 112.166 0.432 . . . . 50.0 112.166 -179.095 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 19.0 p -79.89 -36.4 36.56 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.306 -0.958 . . . . 25.0 110.01 -176.148 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -79.87 -31.48 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.587 -0.445 . . . . 50.0 110.787 176.786 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -77.85 -23.55 48.86 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.881 -0.512 . . . . 50.0 110.82 178.34 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -74.68 -12.17 82.82 Favored Glycine 0 C--O 1.227 -0.287 0 C-N-CA 121.448 -0.406 . . . . 25.0 112.535 178.654 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 43.94 45.59 6.53 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.457 1.103 . . . . 50.0 113.195 177.38 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -64.5 158.73 23.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.43 -0.805 . . . . 25.0 111.185 -178.235 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 145.75 -35.1 1.43 Allowed Glycine 0 C--O 1.223 -0.533 0 N-CA-C 109.2 -1.56 . . . . 25.0 109.2 -178.887 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.211 -0.961 0 CA-C-O 124.71 2.195 . . . . 25.0 111.389 177.501 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.915 0 CA-C-O 124.654 2.252 . . . . 25.0 111.191 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 32.8 t -146.67 157.28 43.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 112.931 -1.634 . . . . 25.0 108.467 -179.424 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -148.07 154.69 40.56 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 107.252 -1.388 . . . . 50.0 107.252 -178.78 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 6.5 t 53.76 43.73 30.62 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.996 0.81 . . . . 25.0 112.848 179.381 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -112.08 -5.6 14.25 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.259 -0.428 . . . . 50.0 111.797 -179.407 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 6.9 t 50.49 -157.87 0.09 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.572 0.749 . . . . 50.0 112.996 179.286 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -129.77 -31.61 1.96 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.385 -0.598 . . . . 50.0 109.385 -179.358 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.54 -43.42 61.1 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 108.558 -1.817 . . . . 50.0 108.558 176.114 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.16 -25.34 68.04 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 120.731 0.301 . . . . 50.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 85.2 t -67.69 -31.87 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 121.688 -0.633 . . . . 50.0 109.496 177.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.3 m -70.73 -36.06 73.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.085 -0.709 . . . . 50.0 109.085 178.261 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -72.97 -30.51 63.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 178.889 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.2 tpp -61.08 -31.56 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.399 -0.364 . . . . 50.0 110.999 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.71 -32.11 73.64 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.069 0.462 . . . . 25.0 110.295 178.754 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.92 -35.72 67.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 178.244 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.72 -42.53 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.458 -0.571 . . . . 50.0 109.458 178.174 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.18 -45.84 79.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.811 -0.441 . . . . 50.0 109.811 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.26 85.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.648 -0.251 . . . . 25.0 111.306 179.666 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.54 93.82 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.412 -0.358 . . . . 25.0 111.03 -178.605 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.61 -41.61 98.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.757 0.789 . . . . 50.0 110.298 -179.323 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 67.7 mt -60.94 -44.18 97.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.417 -0.81 . . . . 50.0 111.411 178.884 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -73.57 -31.8 63.81 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.703 -0.799 . . . . 50.0 110.962 178.002 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 7.4 tpp -60.63 -42.15 96.31 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.748 -0.834 . . . . 50.0 108.748 177.263 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 38.5 m -61.81 -37.37 84.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.068 178.704 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -67.97 -44.44 76.7 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 119.534 -0.866 . . . . 50.0 109.555 177.193 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.06 -40.66 94.49 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 113.59 0.959 . . . . 50.0 113.59 -178.334 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.7 m -67.7 -33.33 61.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.352 -0.539 . . . . 50.0 111.365 178.62 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.82 -23.34 52.77 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.035 0.383 . . . . 50.0 112.035 177.225 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -80.0 -15.25 57.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 25.0 109.866 177.474 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -106.9 168.07 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 -178.598 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 143.72 -131.92 4.69 Favored Glycine 0 CA--C 1.509 -0.298 0 C-N-CA 120.235 -0.983 . . . . 25.0 113.85 177.723 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -136.16 -112.17 0.19 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.258 1.028 . . . . 25.0 108.87 -178.068 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . 0.514 ' C ' ' H ' ' A' ' 445' ' ' ASP . 67.7 mtp180 -62.39 107.61 0.95 Allowed 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.148 -1.387 . . . . 50.0 110.562 176.555 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -85.01 23.84 1.16 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.882 -1.155 . . . . 50.0 107.882 172.744 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . 0.514 ' H ' ' C ' ' A' ' 443' ' ' ARG . 8.6 t0 -72.4 -21.01 61.34 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 113.988 -1.46 . . . . 50.0 111.812 -175.142 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -133.02 41.24 3.16 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 107.158 -1.423 . . . . 50.0 107.158 -178.736 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -117.03 53.87 0.89 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.601 -1.259 . . . . 25.0 107.601 -176.112 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.08 132.5 59.45 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-N 115.176 -0.92 . . . . 50.0 110.88 179.781 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -76.91 119.15 5.0 Favored 'Trans proline' 0 C--N 1.347 0.484 0 N-CA-C 115.583 1.34 . . . . 50.0 115.583 -175.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -174.27 63.14 0.12 Allowed Glycine 0 C--O 1.22 -0.724 0 CA-C-N 115.443 -0.799 . . . . 25.0 111.836 179.099 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 40.5 t -51.5 -46.9 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 112.865 0.691 . . . . 50.0 112.865 -175.606 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 5.1 m 47.61 32.48 2.5 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.386 1.624 . . . . 25.0 115.386 176.46 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -76.2 165.25 53.94 Favored Glycine 0 CA--C 1.516 0.152 0 N-CA-C 115.195 0.838 . . . . 25.0 115.195 -175.808 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -138.95 -179.97 6.14 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.223 -1.769 . . . . 25.0 106.223 179.391 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.6 t -146.66 176.88 9.51 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.171 -1.048 . . . . 50.0 108.171 -179.631 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -57.89 133.58 55.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.163 0.506 . . . . 25.0 111.749 -177.983 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -103.69 -54.41 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.896 -0.779 . . . . 50.0 108.896 174.875 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -66.74 -31.73 72.56 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -178.103 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.55 -33.8 88.23 Favored Glycine 0 C--O 1.222 -0.631 0 N-CA-C 110.837 -0.905 . . . . 25.0 110.837 176.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -69.46 -40.3 77.23 Favored 'General case' 0 C--O 1.22 -0.468 0 O-C-N 121.855 -0.791 . . . . 50.0 109.561 178.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -64.41 -35.4 80.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.002 -0.74 . . . . 50.0 109.002 178.21 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.7 86.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.514 178.318 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 -34.55 78.54 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.513 -0.475 . . . . 50.0 110.236 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.38 -34.17 72.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.732 -0.605 . . . . 50.0 110.97 176.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.97 -42.77 36.29 Favored Glycine 0 C--O 1.223 -0.536 0 N-CA-C 108.935 -1.666 . . . . 50.0 108.935 176.243 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.17 -39.11 69.15 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 120.896 0.379 . . . . 25.0 111.307 179.671 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -63.67 -45.59 89.4 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.196 0.522 . . . . 50.0 111.295 178.427 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.69 82.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.429 . . . . 25.0 110.731 -177.891 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.69 -31.3 48.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 C-N-CA 120.541 -0.464 . . . . 50.0 110.514 -178.969 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.48 -34.63 69.24 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.266 0.484 . . . . 25.0 111.492 -179.358 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.64 88.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.903 -0.406 . . . . 25.0 109.903 177.904 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.8 67.24 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.361 -0.212 . . . . 25.0 110.649 177.11 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -68.9 -45.05 71.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.959 -0.463 . . . . 50.0 112.035 -178.439 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.06 -26.76 68.7 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.15 -0.685 . . . . 50.0 109.15 178.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -52.7 10.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.41 -0.814 . . . . 50.0 111.147 178.046 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.4 p -63.07 -36.69 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 118.57 0.623 . . . . 50.0 110.146 -175.235 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -63.36 -35.18 79.53 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.149 -0.478 . . . . 25.0 110.282 178.549 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.84 95.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.239 -179.353 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -70.69 -35.08 59.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 C-N-CA 120.61 -0.436 . . . . 50.0 109.848 -178.874 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.11 -26.92 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.31 0.576 . . . . 25.0 109.922 179.459 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.35 -43.89 18.4 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-O 120.931 0.396 . . . . 50.0 110.018 177.117 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.2 mtm -59.76 -29.01 67.88 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 120.842 0.353 . . . . 50.0 111.61 -179.3 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.5 p -76.36 -37.19 57.61 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 119.093 -1.043 . . . . 25.0 109.765 -175.999 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -86.13 -19.07 30.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.488 0.921 . . . . 50.0 113.488 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -87.63 -36.41 17.5 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 118.302 0.501 . . . . 50.0 111.185 175.403 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -85.18 -37.31 10.01 Favored Glycine 0 C--O 1.223 -0.541 0 C-N-CA 120.894 -0.669 . . . . 25.0 113.096 -176.631 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 53.53 8.08 0.12 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 117.057 2.243 . . . . 50.0 117.057 177.871 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.86 55.46 2.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.545 0.738 . . . . 25.0 110.828 179.021 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -81.42 59.65 4.79 Favored Glycine 0 C--O 1.223 -0.568 0 CA-C-N 116.535 -0.302 . . . . 25.0 112.734 -178.17 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.209 -1.04 0 CA-C-O 123.139 1.447 . . . . 25.0 111.501 -178.597 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . 0.72 ' H1 ' ' HG ' ' A' ' 416' ' ' SER . . . . . . . . 0 N--CA 1.492 2.406 0 CA-C-O 122.717 1.176 . . . . 25.0 112.38 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 32.0 t -68.39 -9.75 50.4 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.003 -1.292 . . . . 25.0 112.077 179.407 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -155.85 160.75 40.46 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 104.341 -2.466 . . . . 50.0 104.341 178.024 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 5.3 p 48.28 -113.13 0.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 O-C-N 124.075 0.86 . . . . 25.0 110.89 -179.341 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -157.21 169.55 24.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.838 -1.171 . . . . 50.0 107.838 -179.56 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 416' ' ' SER . . . . . 0.72 ' HG ' ' H1 ' ' A' ' 411' ' ' GLY . 49.7 m -128.59 143.77 51.02 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 105.326 -2.101 . . . . 50.0 105.326 176.007 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.25 -33.62 72.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 114.958 1.466 . . . . 50.0 114.958 -169.948 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.18 -41.5 96.9 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.056 -1.069 . . . . 50.0 110.571 178.113 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.85 -37.98 76.31 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 110.199 -0.297 . . . . 50.0 110.199 -179.21 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.46 -35.48 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.001 0.429 . . . . 50.0 110.396 178.092 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.3 m -64.65 -40.48 95.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.953 -0.467 . . . . 50.0 110.717 179.773 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -75.74 -30.39 59.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.401 0.62 . . . . 25.0 110.263 178.796 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.7 ttp -62.73 -42.71 99.8 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 109.304 -0.628 . . . . 50.0 109.304 178.484 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.11 -33.06 75.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.243 0.544 . . . . 25.0 110.472 178.82 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.82 -44.69 66.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 25.0 111.09 -179.423 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.64 -33.31 48.53 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 O-C-N 122.32 -0.237 . . . . 50.0 110.564 -179.34 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -57.83 -43.86 86.09 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.223 -0.658 . . . . 50.0 109.223 175.377 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.16 82.48 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.756 0.312 . . . . 25.0 110.864 178.562 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.58 87.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.699 0.285 . . . . 25.0 110.305 179.265 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.8 -44.07 97.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 109.039 -0.726 . . . . 50.0 109.039 178.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.02 -43.28 95.37 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.989 -0.55 . . . . 50.0 112.188 179.339 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -73.41 -32.11 64.25 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.202 -0.999 . . . . 50.0 110.856 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 68.9 mtm -67.93 -32.05 72.23 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.524 -0.735 . . . . 50.0 110.697 175.918 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.8 m -56.16 -41.89 76.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.362 0.265 . . . . 25.0 111.344 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -27.0 64.95 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 118.872 -1.131 . . . . 50.0 111.07 -178.675 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -72.66 -44.99 61.14 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.627 -0.429 . . . . 50.0 110.21 179.295 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.82 -31.71 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 112.892 0.701 . . . . 50.0 112.892 -176.042 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 76.4 mt -69.27 -12.62 61.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.152 0.427 . . . . 50.0 112.152 176.691 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -109.42 -3.34 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.971 0.415 . . . . 25.0 110.571 178.599 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.9 145.02 38.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.087 0.47 . . . . 25.0 109.993 -178.309 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -171.33 -179.01 42.16 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 110.257 -1.137 . . . . 25.0 110.257 -179.44 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -95.92 -165.77 1.33 Allowed 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 106.803 -1.554 . . . . 25.0 106.803 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 64.72 -45.65 0.32 Allowed 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 117.492 2.404 . . . . 50.0 117.492 179.571 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 55.36 36.29 26.78 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.016 0.926 . . . . 50.0 111.73 179.024 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -32.16 73.39 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.666 -0.697 . . . . 50.0 111.238 -179.452 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -157.85 89.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.819 -1.919 . . . . 50.0 105.819 -178.446 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -132.93 42.58 3.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.163 -0.926 . . . . 25.0 109.772 177.814 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -73.02 142.56 82.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.776 -0.453 . . . . 50.0 109.776 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -75.95 150.46 34.21 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 CA-C-O 122.052 0.772 . . . . 50.0 112.746 -179.314 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -140.12 129.42 4.24 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 109.525 -1.43 . . . . 25.0 109.525 179.378 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.0 119.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 122.01 0.91 . . . . 50.0 108.662 179.886 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 20.8 m -104.22 40.12 1.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.561 -0.745 . . . . 25.0 111.613 -176.718 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 88.33 0.15 82.83 Favored Glycine 0 C--O 1.226 -0.376 0 C-N-CA 121.272 -0.49 . . . . 25.0 112.528 -178.016 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 65.53 -177.03 0.18 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.722 1.209 . . . . 25.0 112.408 -179.424 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 m -99.02 172.62 7.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.662 -0.699 . . . . 50.0 110.937 -177.712 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -61.16 157.24 16.45 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.701 -0.851 . . . . 25.0 108.701 175.912 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -105.23 -75.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.081 0.467 . . . . 50.0 111.716 178.291 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -61.27 -30.67 70.61 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.892 -0.505 . . . . 25.0 112.136 -177.455 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -62.45 -33.73 87.23 Favored Glycine 0 C--O 1.221 -0.697 0 CA-C-N 115.87 -0.605 . . . . 25.0 112.047 179.359 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.85 -43.97 78.21 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 117.509 0.655 . . . . 50.0 109.768 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -63.47 -35.48 80.59 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.471 -0.566 . . . . 50.0 109.471 -178.85 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.54 -48.31 67.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.149 -0.478 . . . . 25.0 111.31 177.268 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.36 -37.27 84.93 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 117.962 0.347 . . . . 50.0 111.335 -178.321 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -60.68 -33.66 73.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.65 -0.656 . . . . 50.0 110.068 176.888 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.45 -47.99 32.41 Favored Glycine 0 C--O 1.215 -1.047 0 N-CA-C 109.035 -1.626 . . . . 50.0 109.035 176.124 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.79 -38.96 65.04 Favored 'General case' 0 C--O 1.209 -1.058 0 C-N-CA 123.037 0.535 . . . . 25.0 112.417 -178.317 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -72.88 -40.13 65.87 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 122.603 1.192 . . . . 50.0 113.648 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.5 92.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 115.119 -0.946 . . . . 25.0 110.153 178.038 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -73.69 -26.58 21.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 CA-C-O 119.339 -0.363 . . . . 50.0 110.51 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.58 -35.66 66.01 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.519 0.6 . . . . 25.0 111.115 -179.419 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.19 89.82 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.809 0.337 . . . . 25.0 110.278 177.025 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.67 -34.44 67.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.677 0.275 . . . . 25.0 110.915 176.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.427 ' HA ' HG12 ' A' ' 476' ' ' VAL . 70.7 mm-40 -68.34 -47.62 66.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.009 -0.432 . . . . 50.0 111.695 -179.745 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 8.4 ptm85 -64.37 -26.13 68.33 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.193 -0.603 . . . . 50.0 109.855 178.186 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -50.33 32.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.895 -0.593 . . . . 50.0 110.151 176.736 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.2 p -64.14 -35.31 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.945 -0.761 . . . . 50.0 108.945 -177.741 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -62.73 -36.9 84.51 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.518 -0.765 . . . . 25.0 109.697 178.05 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.79 92.58 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.113 -0.367 . . . . 25.0 110.678 179.377 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -69.8 -34.23 59.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 O-C-N 121.981 -0.449 . . . . 50.0 109.842 -179.02 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.09 -27.12 65.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.436 0.636 . . . . 25.0 109.337 178.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.31 -41.16 22.52 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.202 0.525 . . . . 50.0 110.428 176.829 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.8 mtm -61.55 -28.08 69.08 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 116.286 -0.415 . . . . 50.0 111.539 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.9 p -79.08 -34.7 43.37 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.439 -0.904 . . . . 25.0 110.592 -175.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -81.04 -24.17 38.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.545 -0.462 . . . . 50.0 110.803 176.629 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -85.73 -10.95 54.81 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.307 0.575 . . . . 50.0 111.83 176.136 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 85.11 -42.84 3.18 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 110.256 -1.138 . . . . 25.0 110.256 -176.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 90.5 mtm-85 -141.07 -68.62 0.39 Allowed 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 122.762 1.267 . . . . 50.0 110.044 176.772 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -160.45 168.09 25.88 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 112.878 -1.965 . . . . 25.0 106.207 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -173.95 -43.61 0.05 OUTLIER Glycine 0 C--O 1.225 -0.453 0 CA-C-O 121.977 0.765 . . . . 25.0 112.167 178.756 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--O 1.212 -0.883 0 CA-C-O 123.316 1.532 . . . . 25.0 111.745 177.914 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 CA-C-O 123.068 1.371 . . . . 25.0 112.91 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 45.4 m -93.21 142.03 27.76 Favored 'General case' 0 N--CA 1.462 0.135 0 O-C-N 121.223 -1.163 . . . . 25.0 109.831 179.362 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 44.3 mtt85 65.12 -173.9 0.18 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.541 1.136 . . . . 50.0 110.588 -178.025 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 8.0 p -148.21 -42.47 0.16 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 179.004 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -156.0 172.78 17.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 104.645 -2.354 . . . . 50.0 104.645 177.068 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 68.3 m -114.11 152.48 31.03 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 106.163 -1.792 . . . . 50.0 106.163 176.243 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.47 -23.48 61.82 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.824 -0.625 . . . . 50.0 112.267 -173.526 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.14 -36.91 91.01 Favored Glycine 0 C--O 1.226 -0.376 0 C-N-CA 120.29 -0.957 . . . . 50.0 110.765 178.229 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.18 -36.68 83.71 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-O 121.24 0.543 . . . . 50.0 109.656 -178.941 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.24 -35.13 74.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.068 -0.515 . . . . 50.0 110.641 179.684 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 49.3 m -66.03 -38.71 89.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.823 -0.548 . . . . 50.0 110.334 177.803 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.74 -30.14 59.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.411 0.624 . . . . 25.0 109.91 179.382 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 49.1 ttm -60.49 -40.69 92.21 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 109.079 -0.712 . . . . 50.0 109.079 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.96 -33.92 76.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.932 0.396 . . . . 25.0 110.854 178.77 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.69 -46.78 57.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.808 0.337 . . . . 25.0 111.07 -179.061 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.84 -34.17 63.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 N-CA-C 110.376 -0.231 . . . . 50.0 110.376 -178.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -57.37 -44.55 84.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.419 -0.585 . . . . 50.0 109.419 175.62 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.25 90.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.18 -0.325 . . . . 25.0 110.661 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.23 88.72 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.392 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -62.74 -46.09 89.67 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.204 -0.665 . . . . 50.0 109.204 178.854 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 51.1 mt -58.42 -41.92 86.06 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.91 0.707 . . . . 50.0 112.91 179.435 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -74.78 -32.8 62.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 119.82 -0.752 . . . . 50.0 111.948 176.358 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 60.8 mtm -68.14 -34.37 76.23 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.763 -0.586 . . . . 50.0 110.228 177.748 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.0 m -54.54 -32.7 58.75 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.46 0.648 . . . . 25.0 110.343 178.328 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -66.48 -42.79 86.95 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.746 -0.596 . . . . 50.0 109.884 -178.792 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -72.33 -38.05 68.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.609 -0.885 . . . . 50.0 108.609 -179.313 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.47 -41.62 85.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.011 -0.995 . . . . 50.0 111.161 178.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 55.5 mt -64.62 -37.11 86.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.865 0.364 . . . . 50.0 110.913 178.489 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -74.69 -16.31 60.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.667 0.27 . . . . 25.0 111.341 179.387 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -103.95 17.74 23.47 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.993 0.517 . . . . 25.0 110.269 179.44 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -82.87 -161.43 30.45 Favored Glycine 0 CA--C 1.519 0.293 0 CA-C-O 121.556 0.531 . . . . 25.0 112.903 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -143.5 153.44 42.62 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 105.105 -2.183 . . . . 25.0 105.105 -179.739 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -65.57 149.68 49.66 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.0 -1.0 . . . . 50.0 110.5 -178.776 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -97.75 35.74 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.464 -0.939 . . . . 50.0 108.464 177.572 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 8.3 t0 54.78 22.18 4.01 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.335 1.454 . . . . 50.0 114.35 -179.788 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 448' ' ' GLU . 40.3 m-20 65.18 27.39 12.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.05 -1.887 . . . . 50.0 111.486 177.629 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -77.56 35.73 0.19 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.622 0.769 . . . . 25.0 110.85 177.261 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 446' ' ' ASP . 85.6 mt-10 -75.24 155.86 85.9 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.789 -0.641 . . . . 50.0 110.223 -177.976 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.88 174.47 11.85 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 CA-C-O 121.987 0.745 . . . . 50.0 113.942 -178.314 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.24 -23.88 6.38 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 118.941 2.337 . . . . 25.0 118.941 -176.316 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 8.9 p -59.99 -28.5 41.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 C-N-CA 122.433 0.293 . . . . 50.0 111.11 178.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 15.8 m -86.17 5.28 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.302 0.573 . . . . 25.0 111.76 179.796 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 96.53 -5.91 65.01 Favored Glycine 0 C--O 1.239 0.437 0 CA-C-N 116.253 -0.43 . . . . 25.0 113.081 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -58.95 113.92 2.31 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.603 0.361 . . . . 25.0 110.694 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 27.6 m 56.25 8.6 0.42 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.622 1.342 . . . . 50.0 114.622 -177.766 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -81.92 56.85 3.24 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 122.933 0.493 . . . . 25.0 111.81 -177.223 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -42.84 -54.56 4.09 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.975 1.102 . . . . 50.0 113.975 -176.501 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -65.04 -32.22 73.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.704 -0.623 . . . . 25.0 112.678 179.617 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -69.9 -33.76 70.74 Favored Glycine 0 C--O 1.223 -0.534 0 N-CA-C 110.485 -1.046 . . . . 25.0 110.485 178.121 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -64.46 -34.9 79.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.946 -0.738 . . . . 50.0 109.229 177.622 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -67.19 -33.03 74.51 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.15 -0.62 . . . . 50.0 109.652 178.629 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -69.57 -37.26 76.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.264 176.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -33.88 75.76 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.483 -0.562 . . . . 50.0 109.483 178.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.53 -34.76 73.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.139 -0.624 . . . . 50.0 109.912 174.791 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.27 -44.84 73.42 Favored Glycine 0 C--O 1.218 -0.883 0 N-CA-C 108.697 -1.761 . . . . 50.0 108.697 176.091 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.32 65.88 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.767 0.427 . . . . 25.0 111.586 179.39 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -67.86 -42.13 81.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.037 0.446 . . . . 50.0 111.515 178.426 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.22 79.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.157 0.503 . . . . 25.0 110.574 -178.606 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.27 -26.46 31.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 CA-C-N 116.411 -0.359 . . . . 50.0 110.488 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.14 -32.8 64.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 117.946 0.339 . . . . 25.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.98 89.43 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 177.312 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -34.31 67.08 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 120.571 0.225 . . . . 25.0 110.509 176.623 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.427 ' HA ' HG12 ' A' ' 476' ' ' VAL . 60.7 mm-40 -67.9 -46.52 71.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.092 0.472 . . . . 50.0 112.049 -179.307 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.18 -27.19 69.2 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.229 -0.656 . . . . 50.0 109.229 178.111 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.27 -51.64 14.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.856 -0.611 . . . . 50.0 111.056 177.333 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.0 p -62.94 -35.71 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 118.8 0.727 . . . . 50.0 109.808 -175.753 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -62.13 -35.79 79.83 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.211 178.693 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.74 95.79 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.25 -33.11 49.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 121.957 -0.464 . . . . 50.0 109.87 -179.296 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.96 65.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 178.567 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -78.97 -44.35 22.6 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 121.022 0.439 . . . . 50.0 109.975 177.59 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.9 mtm -60.68 -31.07 70.33 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 121.301 0.572 . . . . 50.0 111.328 -179.462 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.0 p -77.04 -31.58 56.36 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.785 -0.766 . . . . 25.0 110.614 -174.574 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -85.05 -30.32 24.21 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.36 -0.536 . . . . 50.0 110.992 174.992 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.24 -42.48 83.9 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.697 -0.627 . . . . 50.0 109.504 178.367 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -89.07 0.86 82.38 Favored Glycine 0 C--O 1.224 -0.531 0 N-CA-C 111.759 -0.536 . . . . 25.0 111.759 179.098 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.08 13.27 1.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.775 1.398 . . . . 50.0 114.775 -178.823 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.43 -23.37 64.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.909 0.385 . . . . 25.0 110.297 179.078 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -86.23 15.07 51.69 Favored Glycine 0 C--O 1.225 -0.444 0 CA-C-O 121.575 0.542 . . . . 25.0 111.78 178.209 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 36.0 p . . . . . 0 C--O 1.211 -0.958 0 CA-C-O 124.74 2.21 . . . . 25.0 111.428 -179.207 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 121.83 0.683 . . . . 25.0 112.695 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 18.1 m 54.08 30.61 12.26 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.975 1.102 . . . . 25.0 113.975 178.429 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 60.73 110.83 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.023 1.49 . . . . 50.0 115.023 -178.698 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 63.3 m -86.23 176.37 7.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.734 0.778 . . . . 25.0 110.63 179.812 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.86 50.32 0.85 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.565 0.95 . . . . 50.0 113.565 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.4 m -85.07 25.8 0.93 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.764 0.426 . . . . 50.0 111.571 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 61.98 -64.55 0.08 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.958 1.703 . . . . 50.0 115.143 179.193 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.02 -35.06 91.52 Favored Glycine 0 C--O 1.223 -0.535 0 N-CA-C 111.399 -0.68 . . . . 50.0 111.399 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.76 -34.79 78.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.017 -0.364 . . . . 50.0 110.017 178.251 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 26.0 t -74.12 -41.07 51.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 50.0 110.491 -179.369 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.0 m -64.26 -38.37 90.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.043 0.449 . . . . 50.0 110.268 179.183 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -74.72 -24.99 58.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.239 -0.437 . . . . 25.0 110.548 178.403 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 25.9 ttm -64.29 -46.69 82.51 Favored 'General case' 0 C--O 1.215 -0.751 0 N-CA-C 107.471 -1.307 . . . . 50.0 107.471 177.35 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.12 76.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.981 0.42 . . . . 25.0 110.603 -179.333 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.25 -48.2 68.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 25.0 111.448 -179.829 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.14 -35.48 58.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 C-N-CA 121.1 -0.24 . . . . 50.0 110.614 -178.447 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.76 -47.62 84.03 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.722 -0.473 . . . . 50.0 109.722 176.759 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.28 93.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.929 0.395 . . . . 25.0 110.211 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.74 75.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.506 -179.1 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.13 -31.08 69.52 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.677 -0.64 . . . . 50.0 110.486 -178.161 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.86 -43.69 95.35 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.002 -0.436 . . . . 50.0 110.728 177.045 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.91 -32.26 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.263 -0.975 . . . . 50.0 109.909 178.244 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.0 tpp -61.79 -40.76 96.34 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 177.317 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 63.4 m -63.91 -37.58 87.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.483 . . . . 25.0 110.081 178.534 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -65.99 -46.76 76.85 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.401 -0.812 . . . . 50.0 109.315 177.471 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.96 -44.23 82.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.622 -0.717 . . . . 50.0 112.115 -178.323 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.2 -35.59 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 113.282 0.845 . . . . 50.0 113.282 179.522 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 70.4 mt -71.13 -35.83 71.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.593 0.59 . . . . 50.0 112.593 178.649 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -79.37 -15.19 58.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.539 0.209 . . . . 25.0 111.377 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -68.46 132.97 47.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.552 0.692 . . . . 25.0 110.898 -178.222 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 149.45 176.53 22.74 Favored Glycine 0 C--O 1.224 -0.517 0 N-CA-C 110.809 -0.916 . . . . 25.0 110.809 178.909 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -86.56 25.05 1.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.497 0.554 . . . . 25.0 112.497 -178.398 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -66.9 -52.57 41.65 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.712 0.634 . . . . 50.0 112.712 -177.708 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 53.17 27.48 5.97 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.951 1.463 . . . . 50.0 114.951 178.151 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -71.62 -32.58 68.13 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.285 0.564 . . . . 50.0 112.387 -177.182 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -125.46 19.86 8.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.52 -0.763 . . . . 50.0 112.689 -172.955 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -90.42 44.28 1.19 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.927 -175.94 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.48 145.59 93.05 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.063 0.458 . . . . 50.0 110.27 178.612 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -77.52 162.93 30.09 Favored 'Trans proline' 0 C--N 1.345 0.386 0 CA-C-O 121.812 0.672 . . . . 50.0 113.316 -178.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -76.35 47.85 2.41 Favored Glycine 0 C--O 1.223 -0.545 0 CA-C-N 115.307 -0.86 . . . . 25.0 114.898 -179.633 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 9.3 p -81.23 -13.39 12.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 122.03 0.919 . . . . 50.0 109.606 179.395 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 26.5 m -63.93 150.07 45.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.996 -179.51 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 113.13 -35.02 4.77 Favored Glycine 0 C--O 1.223 -0.578 0 N-CA-C 111.217 -0.753 . . . . 25.0 111.217 179.55 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -84.57 10.09 11.93 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.536 0.684 . . . . 25.0 110.329 177.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.97 110.77 5.23 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.086 1.143 . . . . 50.0 114.086 -176.717 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -148.74 151.43 34.84 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 106.743 -1.577 . . . . 25.0 106.743 176.305 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -105.61 -76.7 0.6 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.249 0.547 . . . . 50.0 111.602 177.138 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -59.55 -28.92 67.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -178.037 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.8 88.23 Favored Glycine 0 C--O 1.225 -0.448 0 C-N-CA 120.901 -0.666 . . . . 25.0 111.483 178.302 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -67.15 -45.47 76.95 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.873 -0.788 . . . . 50.0 108.873 179.049 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -64.29 -37.21 86.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.136 -0.484 . . . . 50.0 110.287 -177.879 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.16 91.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.013 -0.54 . . . . 25.0 109.998 177.867 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -37.47 85.92 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 120.796 -0.361 . . . . 50.0 110.806 -179.349 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -57.53 -38.5 74.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.761 0.709 . . . . 50.0 110.958 177.354 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.25 44.38 Favored Glycine 0 C--O 1.222 -0.655 0 N-CA-C 109.543 -1.423 . . . . 50.0 109.543 176.857 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.26 -38.98 63.52 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -65.3 -47.83 75.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.199 0.523 . . . . 50.0 111.201 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.5 87.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.739 -177.587 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.3 m -70.13 -31.36 47.22 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.039 0 C-N-CA 120.323 -0.551 . . . . 50.0 110.734 -178.57 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.94 71.64 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.582 0.628 . . . . 25.0 111.417 -178.67 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.21 86.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 178.07 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.14 68.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.756 -0.202 . . . . 25.0 110.999 177.604 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.402 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.9 mm-40 -66.22 -46.15 78.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.884 -0.51 . . . . 50.0 111.886 -179.29 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.92 -27.55 69.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.533 -0.543 . . . . 50.0 109.533 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -52.57 12.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 50.0 110.867 177.184 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 473' ' ' GLN . 15.0 p -63.02 -36.09 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 118.725 0.693 . . . . 50.0 109.904 -175.293 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -62.88 -35.31 79.57 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.246 178.762 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.37 89.83 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.567 -0.453 . . . . 25.0 110.088 -179.463 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.44 -35.34 66.43 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 N-CA-C 109.803 -0.443 . . . . 50.0 109.803 -178.624 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.41 -26.8 63.66 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.4 mt -81.37 -42.87 19.83 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.996 0.426 . . . . 50.0 110.754 176.291 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 41.5 mtm -59.55 -24.09 63.41 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 115.816 -0.629 . . . . 50.0 111.745 -178.069 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 40.7 p -80.52 -24.23 39.49 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 119.739 -0.784 . . . . 25.0 110.616 -177.859 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.89 -37.16 20.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.797 0.808 . . . . 50.0 108.925 177.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.53 -25.32 66.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.151 -1.426 . . . . 50.0 107.151 173.717 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -90.03 12.5 67.45 Favored Glycine 0 C--O 1.221 -0.717 0 CA-C-N 115.526 -0.761 . . . . 25.0 113.946 -177.365 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -76.42 -7.14 54.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 117.249 0.524 . . . . 50.0 110.157 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 52.8 46.13 27.35 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.976 0.894 . . . . 25.0 111.779 177.568 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 82.61 -43.49 3.07 Favored Glycine 0 C--O 1.225 -0.44 0 CA-C-N 115.434 -0.803 . . . . 25.0 111.645 -177.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 124.126 1.917 . . . . 25.0 112.322 -179.397 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.002 0 CA-C-O 124.852 2.362 . . . . 25.0 112.583 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 38.3 m -64.78 123.16 18.63 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 121.169 -1.194 . . . . 25.0 108.521 179.41 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 59.17 42.21 19.06 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.841 -0.618 . . . . 50.0 110.395 -177.25 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 2.8 t 72.23 -158.64 0.1 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.007 1.323 . . . . 25.0 113.13 176.962 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -61.93 144.14 55.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.828 0.823 . . . . 50.0 112.641 -175.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 56.1 m -115.36 50.42 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.248 -0.887 . . . . 50.0 110.495 -179.897 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 62.26 -56.83 0.13 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 117.695 2.48 . . . . 50.0 117.695 177.064 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.94 -31.75 80.51 Favored Glycine 0 C--O 1.226 -0.389 0 N-CA-C 108.994 -1.642 . . . . 50.0 108.994 178.902 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -56.01 -33.21 64.68 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 114.571 -0.814 . . . . 50.0 111.508 178.611 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.2 -34.4 69.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.664 0.269 . . . . 50.0 110.901 -176.34 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 39.4 m -68.4 -42.44 79.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.066 0.46 . . . . 50.0 110.649 -179.573 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -75.55 -30.29 59.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.079 -0.51 . . . . 25.0 109.654 -179.339 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 64.0 ttp -64.0 -40.67 96.88 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.832 -0.803 . . . . 50.0 108.832 176.375 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.77 -34.27 77.94 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.94 -0.475 . . . . 25.0 110.536 178.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.13 -45.54 66.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.632 0.253 . . . . 25.0 111.378 179.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.08 -32.56 48.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 C-N-CA 120.869 -0.332 . . . . 50.0 110.559 -179.21 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.28 -43.63 88.08 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.023 -0.732 . . . . 50.0 109.023 174.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.86 88.96 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.992 -0.443 . . . . 25.0 110.326 179.33 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.75 -42.82 85.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.285 178.799 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.19 -45.24 95.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.912 -0.773 . . . . 50.0 108.912 178.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.85 -43.62 98.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.836 -0.62 . . . . 50.0 112.25 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -73.75 -33.09 64.15 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.426 -0.909 . . . . 50.0 111.924 178.619 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 70.1 mtm -65.2 -38.0 89.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 108.732 -0.84 . . . . 50.0 108.732 176.077 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 87.9 m -59.27 -38.51 80.29 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.379 -0.601 . . . . 25.0 109.379 176.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -65.36 -42.24 93.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.365 -0.835 . . . . 50.0 109.404 179.392 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.91 -44.85 88.21 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.11 0.781 . . . . 50.0 113.11 -178.842 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.58 -33.03 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 120.399 -0.521 . . . . 50.0 111.052 -179.675 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 68.7 mt -73.6 -5.3 39.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.822 0.675 . . . . 50.0 112.822 176.187 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -109.92 -6.83 15.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.166 -0.334 . . . . 25.0 110.501 174.776 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -90.97 170.2 10.25 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.74 -1.578 . . . . 25.0 106.74 178.779 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -76.04 143.34 29.69 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 107.863 -2.095 . . . . 25.0 107.863 176.095 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -90.55 -151.74 0.25 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 178.722 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -66.78 155.79 37.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.256 -1.016 . . . . 50.0 108.256 176.617 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -102.47 20.61 16.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.406 0.622 . . . . 50.0 110.292 178.768 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.24 -40.58 77.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.147 -0.933 . . . . 50.0 112.069 -174.843 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -118.87 20.29 12.84 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.78 0.8 . . . . 50.0 110.546 -177.271 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -120.56 52.25 1.18 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.807 0.813 . . . . 25.0 109.64 -175.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.51 145.53 59.16 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-N 114.952 -1.022 . . . . 50.0 110.085 178.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.34 67.43 7.02 Favored 'Trans proline' 0 C--N 1.349 0.577 0 N-CA-C 114.628 0.972 . . . . 50.0 114.628 -178.29 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 154.86 69.35 0.01 OUTLIER Glycine 0 C--N 1.319 -0.392 0 CA-C-N 115.004 -0.998 . . . . 25.0 113.886 178.835 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 47.0 t -107.99 100.5 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.97 -0.752 . . . . 50.0 108.97 178.479 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 82.5 p -161.08 172.63 16.47 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 179.192 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -78.81 -0.47 81.19 Favored Glycine 0 C--O 1.225 -0.455 0 C-N-CA 120.615 -0.802 . . . . 25.0 113.219 178.288 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -118.63 3.76 11.7 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.99 0.395 . . . . 25.0 111.963 -178.04 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 55.8 p -105.81 166.91 10.14 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.768 -0.456 . . . . 50.0 109.768 -178.618 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 65.99 165.16 0.18 Allowed 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 125.047 1.339 . . . . 25.0 112.041 -177.668 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -110.45 -67.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.857 0.837 . . . . 50.0 111.165 173.777 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -58.84 -42.15 88.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.274 1.035 . . . . 25.0 112.749 -177.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -58.66 -33.83 74.08 Favored Glycine 0 C--O 1.223 -0.549 0 CA-C-N 113.831 -1.532 . . . . 25.0 113.611 179.17 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.03 -45.49 92.06 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 118.028 0.914 . . . . 50.0 109.709 179.731 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -67.01 -33.97 76.73 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.408 -0.517 . . . . 50.0 110.295 -178.92 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.28 -47.05 78.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 177.595 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -39.98 92.12 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 122.219 -0.3 . . . . 50.0 110.218 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.26 -30.13 71.33 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.556 -0.715 . . . . 50.0 110.905 178.169 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.94 -48.22 55.68 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 108.124 -1.99 . . . . 50.0 108.124 175.566 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.81 -38.49 70.04 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.826 0.313 . . . . 25.0 111.45 179.029 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -66.92 -44.98 79.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 50.0 110.617 178.665 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.15 89.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.137 -0.483 . . . . 25.0 110.828 -178.019 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -70.0 -31.44 47.83 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 C-N-CA 120.291 -0.563 . . . . 50.0 109.844 -179.475 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.85 -35.49 73.01 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.643 0.656 . . . . 25.0 111.007 -179.684 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.26 86.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 177.769 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -37.69 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.517 0.199 . . . . 25.0 110.721 177.035 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 42.7 mm-40 -66.02 -45.44 81.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.97 -0.456 . . . . 50.0 111.714 -178.576 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.47 -27.12 68.77 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.393 -0.523 . . . . 50.0 109.63 179.526 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.96 -52.68 12.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.851 -0.613 . . . . 50.0 110.414 177.529 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 12.4 p -63.58 -36.54 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 118.449 0.568 . . . . 50.0 109.771 -175.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -64.67 -32.37 74.01 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.198 -0.456 . . . . 25.0 110.756 178.416 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.73 99.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.585 -0.446 . . . . 25.0 110.085 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.7 -34.27 51.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 N-CA-C 109.392 -0.595 . . . . 50.0 109.392 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.26 -26.83 65.26 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.4 0.619 . . . . 25.0 110.118 179.459 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.0 mt -77.03 -41.82 41.0 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.329 -0.619 . . . . 50.0 109.329 176.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.4 mtm -63.86 -28.37 69.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.392 -0.367 . . . . 50.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 41.3 p -78.72 -34.94 45.53 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 119.282 -0.967 . . . . 25.0 110.008 -177.042 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -78.12 -32.84 50.66 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.893 -0.723 . . . . 50.0 110.335 177.086 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -72.18 -33.33 67.59 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.832 -0.543 . . . . 50.0 109.735 178.312 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -82.64 10.51 55.91 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 112.063 -0.415 . . . . 25.0 112.063 176.434 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 49.79 34.64 7.83 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.799 1.24 . . . . 50.0 113.881 179.381 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -111.15 8.85 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.812 -0.631 . . . . 25.0 109.637 -179.29 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -77.8 71.23 2.39 Favored Glycine 0 C--O 1.225 -0.411 0 CA-C-O 121.566 0.537 . . . . 25.0 111.915 178.899 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.208 -1.106 0 CA-C-O 123.801 1.762 . . . . 25.0 112.82 179.83 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.122 0 CA-C-O 124.39 2.105 . . . . 25.0 112.968 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 43.2 p -85.22 151.51 24.03 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.407 -1.055 . . . . 25.0 110.109 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -125.34 155.4 40.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.384 -0.969 . . . . 50.0 108.384 178.112 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 66.7 m -137.34 157.4 46.7 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 104.925 -2.25 . . . . 25.0 104.925 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -159.35 -23.23 0.07 Allowed 'General case' 0 C--O 1.2 -1.54 0 N-CA-C 115.473 1.657 . . . . 50.0 115.473 -178.127 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 28.2 t 65.48 135.52 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 123.429 1.585 . . . . 50.0 113.57 -176.491 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.91 -34.72 78.77 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 113.919 -1.491 . . . . 50.0 113.809 -175.36 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.45 -40.96 38.25 Favored Glycine 0 C--O 1.219 -0.815 0 C-N-CA 120.164 -1.017 . . . . 50.0 110.963 -179.405 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.97 -32.96 74.69 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 122.744 0.417 . . . . 50.0 110.545 -177.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.2 -30.05 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 122.032 -0.417 . . . . 50.0 110.825 178.644 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 37.7 m -66.01 -40.69 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.452 -0.78 . . . . 50.0 110.028 179.395 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -75.93 -32.21 59.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.304 0.574 . . . . 25.0 109.622 178.413 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 39.5 ttm -61.8 -37.71 85.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.05 -0.523 . . . . 50.0 110.221 179.229 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -61.78 -31.87 72.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.14 0.495 . . . . 25.0 111.123 179.298 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.48 -36.08 71.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 178.225 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.39 -43.97 87.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.838 -0.801 . . . . 50.0 108.838 178.349 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -58.63 -45.16 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.627 -0.509 . . . . 50.0 109.627 178.874 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.09 98.94 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.878 -0.514 . . . . 25.0 111.04 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.19 81.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.192 0.441 . . . . 25.0 112.192 -178.371 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.449 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 26.0 pt-20 -70.36 -32.36 70.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.636 -0.826 . . . . 50.0 109.788 -178.631 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.54 -46.07 90.06 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.558 -0.457 . . . . 50.0 109.975 177.802 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -73.62 -36.12 65.41 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.013 -1.075 . . . . 50.0 112.999 -178.262 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 433' ' ' MET . . . . . 0.449 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 21.6 ptp -64.92 -35.89 82.62 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 119.485 -0.886 . . . . 50.0 110.249 -179.812 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 37.7 m -67.48 -37.43 82.88 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -64.73 -43.76 92.36 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.963 -0.754 . . . . 50.0 108.963 178.411 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -46.96 87.46 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.544 -0.753 . . . . 50.0 112.351 -179.093 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.8 m -69.53 -38.26 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 120.307 -0.557 . . . . 50.0 111.382 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.32 -43.89 89.59 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 121.23 -0.188 . . . . 50.0 111.414 179.312 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -62.83 -35.49 80.12 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.728 -0.607 . . . . 25.0 111.51 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.34 71.92 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -178.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -119.76 24.08 8.09 Favored Glycine 0 C--O 1.225 -0.442 0 CA-C-O 119.625 -0.542 . . . . 25.0 112.996 -178.338 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 71.46 121.06 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.419 1.487 . . . . 25.0 110.312 -174.172 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -62.78 151.26 39.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 114.481 1.289 . . . . 50.0 114.481 -174.483 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -119.34 24.23 10.82 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 114.606 -1.179 . . . . 50.0 108.621 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.28 -33.66 71.34 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.568 -1.197 . . . . 50.0 110.516 -179.446 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -159.52 94.17 1.15 Allowed 'General case' 0 C--O 1.239 0.552 0 N-CA-C 104.234 -2.506 . . . . 50.0 104.234 177.556 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -142.98 34.02 1.37 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.354 -0.839 . . . . 25.0 109.986 178.135 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -68.67 132.24 91.02 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 112.575 0.583 . . . . 50.0 112.575 -177.213 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -80.97 147.79 16.89 Favored 'Trans proline' 0 C--N 1.348 0.55 0 CA-C-O 121.526 0.553 . . . . 50.0 112.935 179.093 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 149.22 177.91 23.77 Favored Glycine 0 N--CA 1.437 -1.24 0 N-CA-C 109.27 -1.532 . . . . 25.0 109.27 177.84 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.06 139.15 46.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 105.686 -1.968 . . . . 50.0 105.686 176.492 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 21.1 m -116.99 165.9 12.81 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.869 -0.419 . . . . 25.0 109.869 -176.716 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -81.01 48.58 3.8 Favored Glycine 0 C--O 1.224 -0.498 0 N-CA-C 112.138 -0.385 . . . . 25.0 112.138 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -150.05 172.48 15.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 -177.276 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.5 p -67.79 147.26 52.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.857 -0.794 . . . . 50.0 108.857 177.636 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -64.71 137.26 57.7 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 178.047 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.31 -57.71 1.99 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.876 -0.602 . . . . 50.0 110.359 177.286 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . 0.402 ' CE3' ' HA ' ' A' ' 458' ' ' TRP . 24.6 m95 -60.52 -36.39 78.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.637 0.732 . . . . 25.0 112.28 179.839 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -61.11 -31.8 78.1 Favored Glycine 0 C--O 1.226 -0.399 0 CA-C-N 115.48 -0.782 . . . . 25.0 112.881 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -71.55 -39.79 70.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.198 -0.667 . . . . 50.0 109.198 179.063 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -64.54 -35.2 80.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.601 -0.888 . . . . 50.0 108.601 178.412 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.59 -37.31 82.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.209 178.445 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -31.55 72.55 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 121.771 -0.58 . . . . 50.0 110.214 -179.591 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -59.99 -34.94 73.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.901 -0.5 . . . . 50.0 110.161 176.359 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.21 -40.02 56.67 Favored Glycine 0 C--O 1.22 -0.721 0 N-CA-C 109.471 -1.451 . . . . 50.0 109.471 176.526 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.0 71.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.786 0.326 . . . . 25.0 110.939 179.285 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -64.54 -44.22 91.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.179 0.514 . . . . 50.0 111.161 178.355 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.27 -45.33 80.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.354 -178.13 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.2 m -69.8 -28.01 35.4 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 C-N-CA 120.309 -0.556 . . . . 50.0 110.767 -178.691 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.14 70.41 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.807 -0.558 . . . . 25.0 110.879 179.531 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.76 84.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 177.549 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.73 -36.45 67.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.576 0.227 . . . . 25.0 110.917 177.335 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.57 -45.73 78.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.142 0.496 . . . . 50.0 111.659 -179.643 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -65.12 -27.02 68.45 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 119.84 -0.744 . . . . 50.0 109.501 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.75 -49.83 28.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.075 -0.511 . . . . 50.0 111.033 177.06 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.64 -36.73 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 118.707 0.685 . . . . 50.0 109.259 -177.079 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -64.25 -33.6 76.18 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.652 178.382 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.46 99.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.857 -0.527 . . . . 25.0 110.209 179.335 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.61 -34.46 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.61 -0.515 . . . . 50.0 109.61 179.814 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.68 -25.41 64.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 179.043 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.99 -41.82 22.13 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 121.02 0.438 . . . . 50.0 110.092 176.203 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.0 mtm -60.85 -28.19 68.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.909 0.385 . . . . 50.0 111.737 -179.924 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 37.0 p -76.77 -36.25 57.15 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.635 -0.826 . . . . 25.0 110.756 -176.845 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.8 -29.37 40.28 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.472 -0.491 . . . . 50.0 110.153 176.679 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -66.14 -36.06 82.14 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 175.781 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -79.72 7.34 55.09 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 116.105 -0.498 . . . . 25.0 113.317 177.787 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 48.22 45.33 19.99 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.905 0.882 . . . . 50.0 112.931 178.172 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -60.28 123.63 17.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.323 -0.399 . . . . 25.0 110.694 -179.469 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -87.24 36.27 3.34 Favored Glycine 0 C--O 1.224 -0.494 0 CA-C-O 121.641 0.578 . . . . 25.0 112.295 179.267 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.211 -0.969 0 CA-C-O 123.285 1.517 . . . . 25.0 110.706 -178.547 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.916 0 CA-C-O 125.667 2.815 . . . . 25.0 110.501 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 67.7 m -79.78 115.55 19.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 112.501 -1.85 . . . . 25.0 108.909 179.194 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -58.71 -38.15 77.69 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.729 -0.214 . . . . 50.0 111.306 -179.406 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 11.0 m 68.22 -34.16 0.25 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.99 1.478 . . . . 25.0 114.99 -178.794 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -160.27 172.55 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 103.781 -2.674 . . . . 50.0 103.781 175.977 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 30.9 m -105.92 150.81 25.3 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 179.145 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.65 -21.22 15.94 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.763 1.394 . . . . 50.0 114.763 -173.875 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.53 -47.71 55.22 Favored Glycine 0 C--O 1.218 -0.893 0 N-CA-C 110.085 -1.206 . . . . 50.0 110.085 -178.457 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.73 -36.51 79.04 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.127 -0.537 . . . . 50.0 110.675 179.428 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.63 -33.07 57.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.72 0.295 . . . . 50.0 110.473 177.72 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.8 m -66.82 -39.0 87.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.785 -0.572 . . . . 50.0 110.156 179.03 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -73.79 -33.44 64.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.46 0.648 . . . . 25.0 109.32 178.205 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 63.5 ttp -65.35 -33.35 75.77 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 115.968 -0.56 . . . . 50.0 110.365 179.873 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.59 70.64 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.027 0.441 . . . . 25.0 110.867 178.687 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.04 70.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.843 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.99 -42.66 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.279 -0.637 . . . . 50.0 109.279 178.322 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.41 -44.19 88.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.323 0.582 . . . . 50.0 109.671 178.433 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.0 94.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.808 -0.558 . . . . 25.0 111.059 179.215 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.66 -44.88 80.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.613 -178.516 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -69.76 -31.02 68.74 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.71 -0.796 . . . . 50.0 109.99 -179.108 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.95 -44.19 93.58 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.938 -0.477 . . . . 50.0 111.333 177.695 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.46 -32.22 68.07 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.412 -0.915 . . . . 50.0 110.724 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.4 mtm -67.73 -39.71 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.725 -0.472 . . . . 50.0 109.725 176.565 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.4 m -60.18 -40.58 90.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.078 -0.342 . . . . 25.0 110.078 178.457 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.79 -47.47 84.99 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.591 0.71 . . . . 50.0 109.198 178.357 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.29 -43.69 96.05 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.087 -0.961 . . . . 50.0 113.062 -177.81 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.98 -37.16 66.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 C-N-CA 120.391 -0.523 . . . . 50.0 112.296 -179.151 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.28 -42.3 93.29 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.914 -0.314 . . . . 50.0 110.676 178.309 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -67.4 -30.57 70.37 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.744 -0.382 . . . . 25.0 111.471 178.667 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -77.14 -18.21 58.05 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.759 0.314 . . . . 25.0 110.951 177.488 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 101.66 113.54 3.7 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 109.738 -1.345 . . . . 25.0 109.738 -177.218 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -142.27 142.24 32.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.651 -1.241 . . . . 25.0 107.651 -178.369 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 46.57 -135.1 0.89 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.926 -1.034 . . . . 50.0 111.155 178.808 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -117.96 52.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 103.585 -2.746 . . . . 50.0 103.585 172.965 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 29.4 t0 66.92 -65.92 0.2 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.892 2.077 . . . . 50.0 113.702 -179.119 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -129.73 38.51 3.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 122.933 1.349 . . . . 50.0 112.299 -175.368 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -107.57 57.52 0.63 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.01 -1.478 . . . . 25.0 107.01 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.86 154.84 55.39 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 115.601 1.704 . . . . 50.0 115.601 -175.775 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -78.98 0.44 10.02 Favored 'Trans proline' 0 C--N 1.352 0.754 0 N-CA-C 115.524 1.317 . . . . 50.0 115.524 -177.466 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -75.85 64.01 2.7 Favored Glycine 0 C--O 1.222 -0.605 0 CA-C-O 121.197 0.331 . . . . 25.0 112.461 177.151 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . 0.269 95.5 t 49.05 30.48 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 125.857 1.663 . . . . 50.0 112.249 179.271 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 23.0 t -93.49 -157.92 0.58 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.569 -0.742 . . . . 25.0 109.724 177.5 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -61.76 -15.96 49.79 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.979 1.152 . . . . 25.0 115.979 -177.356 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -83.51 10.13 9.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 117.86 0.83 . . . . 25.0 111.597 178.64 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 66.3 m -74.75 161.84 29.25 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.626 1.343 . . . . 50.0 114.626 -178.178 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -64.38 159.48 21.1 Favored 'General case' 0 C--O 1.207 -1.144 0 CA-C-N 114.038 -1.437 . . . . 25.0 109.066 175.05 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -100.66 -68.46 0.81 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.309 0.576 . . . . 50.0 111.181 173.894 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -62.88 -28.89 70.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.517 -0.739 . . . . 25.0 112.503 -178.751 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -62.25 -28.99 71.75 Favored Glycine 0 C--O 1.222 -0.603 0 CA-C-N 115.986 -0.552 . . . . 25.0 112.021 178.717 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -65.42 -36.93 85.42 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 122.182 -0.599 . . . . 50.0 110.563 -179.405 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -63.02 -36.64 84.24 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 -178.871 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.53 68.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.602 -0.726 . . . . 25.0 110.71 177.631 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -35.06 79.85 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 122.109 -0.37 . . . . 50.0 111.121 -178.987 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -56.04 -38.06 70.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.336 0.588 . . . . 50.0 110.481 175.865 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.06 -44.54 35.67 Favored Glycine 0 C--O 1.22 -0.734 0 N-CA-C 109.373 -1.491 . . . . 50.0 109.373 177.209 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.13 -39.6 66.62 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 122.443 0.297 . . . . 25.0 111.729 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -65.88 -44.23 85.97 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.007 0.432 . . . . 50.0 111.586 178.836 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.23 85.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.147 0.498 . . . . 25.0 110.36 -178.341 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.57 -27.08 27.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.933 -0.307 . . . . 50.0 110.89 -179.223 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.23 -33.06 67.16 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.989 0.359 . . . . 25.0 111.656 -179.199 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.19 93.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 177.627 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.67 -33.69 66.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.704 0.288 . . . . 25.0 110.588 177.479 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.411 ' HA ' HG12 ' A' ' 476' ' ' VAL . 58.7 mm-40 -70.28 -45.71 65.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.021 -0.425 . . . . 50.0 111.634 -179.17 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -64.46 -27.26 68.87 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.27 -0.641 . . . . 50.0 109.27 178.604 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.55 -52.39 18.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.821 -0.627 . . . . 50.0 110.567 177.021 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.411 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -63.76 -36.75 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 118.63 0.65 . . . . 50.0 109.274 -176.646 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.95 -36.04 82.64 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.018 177.873 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.49 90.35 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.22 -179.445 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.68 -35.77 62.29 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 N-CA-C 109.71 -0.478 . . . . 50.0 109.71 -179.152 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.95 65.34 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.606 0.717 . . . . 25.0 109.743 179.54 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.55 -41.79 23.5 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 109.734 -0.469 . . . . 50.0 109.734 177.479 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 43.4 mtm -61.24 -30.17 70.28 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 120.787 0.327 . . . . 50.0 111.074 179.318 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 28.0 p -75.77 -33.97 60.22 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.445 -0.902 . . . . 25.0 110.277 -175.875 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -83.8 -30.32 26.66 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.353 -0.539 . . . . 50.0 111.769 177.278 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.78 -23.87 49.07 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 121.65 -0.656 . . . . 50.0 111.836 179.036 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -65.97 -25.34 72.0 Favored Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.994 -0.622 . . . . 25.0 112.483 178.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 44.39 37.62 2.12 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.338 1.236 . . . . 50.0 114.338 176.885 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -75.9 171.92 13.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.891 -0.595 . . . . 25.0 110.612 -178.494 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 150.35 -39.07 0.87 Allowed Glycine 0 C--O 1.224 -0.493 0 CA-C-O 122.051 0.806 . . . . 25.0 112.182 179.292 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.212 -0.905 0 CA-C-O 123.534 1.635 . . . . 25.0 114.67 -179.768 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.551 0 CA-C-O 122.481 1.045 . . . . 25.0 112.418 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 42.6 t -64.43 141.47 58.76 Favored 'General case' 0 C--N 1.34 0.178 0 O-C-N 121.09 -1.241 . . . . 25.0 109.959 178.883 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 33.5 mtp-105 -69.81 -23.93 63.39 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.675 0.62 . . . . 50.0 112.675 -177.62 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 33.6 p -159.86 143.2 14.11 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.244 -1.391 . . . . 25.0 107.244 179.302 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -162.74 168.9 20.82 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.917 -0.771 . . . . 50.0 108.917 -178.459 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.1 m -126.29 152.3 46.35 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 101.524 -3.51 . . . . 50.0 101.524 173.457 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -33.71 71.17 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.873 1.435 . . . . 50.0 114.873 -171.01 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.1 -37.77 91.89 Favored Glycine 0 C--O 1.226 -0.347 0 C-N-CA 120.115 -1.04 . . . . 50.0 111.592 178.026 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -64.71 -31.83 73.23 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 122.591 0.356 . . . . 50.0 110.813 -178.315 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.77 -27.58 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.846 0.355 . . . . 50.0 110.322 -178.329 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.2 m -67.96 -41.23 82.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.896 -0.503 . . . . 50.0 110.324 179.388 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.78 -34.08 60.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.456 0.646 . . . . 25.0 109.363 178.767 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 48.2 ttm -59.22 -44.22 92.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.633 -0.712 . . . . 50.0 109.26 178.674 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.45 80.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.07 0.462 . . . . 25.0 110.283 -179.725 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.81 -46.27 66.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.422 -0.354 . . . . 25.0 111.262 -178.808 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.61 -37.2 68.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 121.018 -0.273 . . . . 50.0 110.6 -178.859 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.77 -43.2 99.31 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.495 -0.557 . . . . 50.0 109.495 177.207 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.6 91.68 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.182 -0.324 . . . . 25.0 110.577 179.011 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.53 86.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.428 179.919 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.95 -47.08 86.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.468 0.651 . . . . 50.0 109.427 179.738 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.64 -41.61 81.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.546 -0.752 . . . . 50.0 112.348 -179.494 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.72 -37.17 56.5 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.232 -0.987 . . . . 50.0 112.858 178.355 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.4 mtm -64.49 -37.84 88.94 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 118.505 0.593 . . . . 50.0 110.535 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 89.8 m -53.85 -32.38 52.79 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 121.221 0.534 . . . . 25.0 111.345 179.803 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -68.23 -43.99 76.69 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.446 -0.784 . . . . 50.0 111.29 -178.836 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -72.15 -32.83 67.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.061 -0.718 . . . . 50.0 109.061 179.683 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.11 -40.66 88.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.506 -0.77 . . . . 50.0 109.976 176.256 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 53.2 mt -73.35 -14.84 61.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.996 0.369 . . . . 50.0 111.996 178.662 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -94.15 0.37 55.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.798 0.332 . . . . 25.0 110.393 177.392 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -97.79 101.84 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 -179.249 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -116.41 -165.94 14.28 Favored Glycine 0 CA--C 1.517 0.207 0 CA-C-O 122.007 0.782 . . . . 25.0 114.769 -178.25 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -158.79 171.48 20.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 102.302 -3.221 . . . . 25.0 102.302 179.854 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 54.3 mmm-85 53.14 -127.74 2.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.125 0.57 . . . . 50.0 110.209 -177.354 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.99 27.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.904 -0.776 . . . . 50.0 108.904 -178.94 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -77.51 -30.59 53.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.358 1.075 . . . . 50.0 109.243 -175.802 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -103.42 19.28 20.02 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.061 -1.427 . . . . 50.0 111.057 -178.215 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -100.67 22.41 11.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -174.475 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -70.54 136.83 85.95 Favored Pre-proline 0 C--N 1.321 -0.655 0 C-N-CA 120.546 -0.461 . . . . 50.0 110.33 178.944 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.75 -11.46 16.82 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 N-CA-C 113.754 0.636 . . . . 50.0 113.754 179.493 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 84.3 148.56 9.24 Favored Glycine 0 C--O 1.222 -0.634 0 N-CA-C 111.024 -0.83 . . . . 25.0 111.024 -177.236 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.28 -46.03 39.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 122.168 -0.607 . . . . 50.0 110.672 -179.767 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 51.7 m -156.27 76.97 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -177.19 -152.09 9.64 Favored Glycine 0 C--O 1.224 -0.517 0 C-N-CA 120.564 -0.827 . . . . 25.0 111.333 -177.589 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 61.31 -9.74 0.07 Allowed 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 117.695 2.48 . . . . 25.0 117.695 177.963 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.2 p -71.89 -55.95 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.995 1.109 . . . . 50.0 113.995 -179.38 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 61.66 121.01 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -178.603 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -109.88 -69.68 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.602 0.715 . . . . 50.0 111.806 178.101 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -64.58 -28.13 69.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.062 0.458 . . . . 25.0 111.18 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -64.08 -33.68 87.9 Favored Glycine 0 C--O 1.224 -0.506 0 N-CA-C 111.694 -0.563 . . . . 25.0 111.694 178.088 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -64.78 -41.18 96.05 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 108.652 -0.87 . . . . 50.0 108.652 178.867 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -69.13 -35.09 76.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.211 -0.45 . . . . 50.0 110.099 -178.56 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.81 97.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 177.421 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -35.75 79.2 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.001 -0.437 . . . . 50.0 109.941 179.168 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.35 -31.37 72.51 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.257 -0.902 . . . . 50.0 110.411 176.477 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.64 79.21 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 108.295 -1.922 . . . . 50.0 108.295 175.174 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.47 -40.09 74.3 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 120.736 0.303 . . . . 25.0 111.138 178.121 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -66.03 -41.59 90.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.408 0.623 . . . . 50.0 110.643 178.634 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.09 83.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 25.0 110.64 -178.717 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.4 m -71.22 -27.64 30.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 C-N-CA 120.605 -0.438 . . . . 50.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.24 69.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.297 0.499 . . . . 25.0 110.374 179.45 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.19 83.07 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 176.718 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -75.99 -35.81 59.45 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.714 -0.221 . . . . 25.0 110.782 176.944 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -67.76 -46.32 72.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.911 -0.493 . . . . 50.0 111.822 -179.482 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -63.25 -27.6 69.45 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.165 -0.68 . . . . 50.0 109.165 178.316 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -51.93 16.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.883 -0.599 . . . . 50.0 110.777 177.39 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.12 -38.46 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 118.669 0.668 . . . . 50.0 109.412 -176.044 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -65.51 -34.87 79.28 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.517 -0.31 . . . . 25.0 110.221 178.125 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.76 86.99 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.664 -179.433 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.44 -36.26 60.13 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.563 0 N-CA-C 109.899 -0.408 . . . . 50.0 109.899 -179.444 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.32 -35.65 72.2 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -179.654 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.4 mt -70.32 -40.35 74.21 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 121.357 0.598 . . . . 50.0 109.451 178.997 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 35.7 mtm -63.72 -23.74 67.49 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.399 -0.52 . . . . 50.0 112.074 179.089 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 81.3 p -82.82 -35.37 26.44 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.642 -0.823 . . . . 25.0 110.664 -178.757 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -78.08 -29.76 49.27 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 120.375 -0.53 . . . . 50.0 110.323 177.099 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -81.64 -17.6 47.57 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.931 -0.481 . . . . 50.0 111.888 178.013 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 66.3 18.64 67.59 Favored Glycine 0 C--O 1.225 -0.444 0 C-N-CA 121.073 -0.584 . . . . 25.0 112.497 -178.759 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -81.92 -9.31 59.62 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.571 0.582 . . . . 50.0 112.571 -174.55 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 50.42 -128.42 2.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 124.11 0.881 . . . . 25.0 110.778 179.274 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 86.44 7.84 78.61 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.177 -0.535 . . . . 25.0 114.414 178.769 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.207 -1.164 0 CA-C-O 124.209 1.957 . . . . 25.0 111.177 177.825 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 122.647 1.137 . . . . 25.0 112.578 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 48.5 t -66.47 144.78 56.28 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 121.467 -1.019 . . . . 25.0 109.764 179.4 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -128.06 65.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.072 -1.084 . . . . 50.0 108.072 -178.91 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 14.8 m 69.51 177.02 0.27 Allowed 'General case' 0 N--CA 1.474 0.727 0 O-C-N 125.052 1.47 . . . . 25.0 110.161 -176.154 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -84.74 153.79 22.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.064 0.459 . . . . 50.0 110.183 -178.841 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.6 m -83.88 145.69 28.48 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 107.121 -1.436 . . . . 50.0 107.121 175.186 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.96 -20.05 61.8 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.755 -0.657 . . . . 50.0 111.12 -176.142 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.04 -34.33 81.29 Favored Glycine 0 C--O 1.213 -1.208 0 N-CA-C 109.94 -1.264 . . . . 50.0 109.94 176.137 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.73 -35.63 81.29 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.935 -0.765 . . . . 50.0 108.935 -178.86 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.53 -36.15 69.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 178.668 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.4 m -67.92 -39.82 83.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.335 -0.393 . . . . 50.0 110.369 179.354 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -71.0 -33.1 70.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.531 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 3.0 mtm -64.19 -35.8 81.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.947 -0.39 . . . . 50.0 109.947 178.278 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.23 72.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.935 0.398 . . . . 25.0 109.994 179.301 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.23 -37.5 75.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 177.427 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.29 -45.6 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 108.281 -1.007 . . . . 50.0 108.281 177.178 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.83 -43.37 85.78 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 110.247 -0.279 . . . . 50.0 110.247 179.392 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.55 89.73 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.269 -0.269 . . . . 25.0 111.078 179.499 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.03 -41.96 90.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.833 0.349 . . . . 25.0 110.786 179.665 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . 0.442 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 49.5 mt-10 -67.11 -42.96 83.66 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 122.421 1.105 . . . . 50.0 109.994 179.312 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 28.5 mt -58.06 -46.92 84.6 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.35 -1.296 . . . . 50.0 110.32 -179.651 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -73.74 -34.46 64.76 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 113.509 0.929 . . . . 50.0 113.509 179.323 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 433' ' ' MET . . . . . 0.442 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 20.5 ptp -66.44 -32.27 73.54 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 118.829 0.74 . . . . 50.0 110.216 -179.594 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 31.3 m -66.98 -33.98 76.76 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.357 -0.537 . . . . 25.0 109.571 -179.185 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -67.93 -41.07 83.16 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.063 -1.088 . . . . 50.0 108.063 178.387 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -61.0 -45.03 96.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 50.0 111.874 -178.442 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.11 -36.32 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 113.081 0.771 . . . . 50.0 113.081 -178.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.38 -30.49 70.28 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.168 0.433 . . . . 50.0 112.168 179.41 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -92.51 -2.8 55.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.554 0.575 . . . . 25.0 112.554 179.775 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -80.39 34.14 0.31 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.588 0.959 . . . . 25.0 113.588 -178.41 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -160.13 156.54 27.79 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.923 -0.656 . . . . 25.0 112.163 179.408 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -162.25 -177.3 5.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 104.133 -2.543 . . . . 25.0 104.133 -179.028 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -65.39 134.9 54.51 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.514 -0.921 . . . . 50.0 108.514 177.081 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.92 59.48 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.896 -1.89 . . . . 50.0 105.896 171.772 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 33.7 t0 58.74 -67.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 127.938 2.495 . . . . 50.0 115.501 -177.258 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -130.62 11.76 5.3 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 115.372 1.619 . . . . 50.0 115.372 -172.015 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -85.25 44.94 1.13 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.865 -1.061 . . . . 25.0 110.806 -176.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -78.47 157.47 77.48 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 115.155 -0.929 . . . . 50.0 109.914 179.996 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -78.6 2.59 8.0 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 120.569 0.846 . . . . 50.0 114.167 -179.665 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -122.64 -161.26 11.18 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 108.256 -1.938 . . . . 25.0 108.256 179.119 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.72 116.2 24.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 108.173 -1.047 . . . . 50.0 108.173 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 23.3 t -149.84 -59.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 179.452 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -75.82 64.7 2.62 Favored Glycine 0 C--O 1.224 -0.475 0 CA-C-N 116.158 -0.474 . . . . 25.0 113.821 177.726 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -63.29 -29.43 70.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.019 -0.695 . . . . 25.0 111.351 -179.636 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 51.4 p -104.02 11.67 35.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.226 -0.443 . . . . 50.0 111.628 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -61.84 127.85 33.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.754 0.787 . . . . 25.0 111.81 -177.238 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -105.76 -76.65 0.6 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.409 -1.33 . . . . 50.0 107.409 176.012 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -66.24 -26.28 67.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.267 0.556 . . . . 25.0 110.018 176.463 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.51 -32.52 64.78 Favored Glycine 0 C--O 1.217 -0.968 0 CA-C-N 115.274 -0.875 . . . . 25.0 111.795 177.17 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.93 -42.96 99.19 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 118.177 0.988 . . . . 50.0 110.821 178.724 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -70.98 -34.24 71.21 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.319 -0.552 . . . . 50.0 109.541 -179.31 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.21 94.59 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.716 -0.476 . . . . 25.0 109.716 177.165 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -37.42 86.47 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 122.26 -0.275 . . . . 50.0 110.412 179.703 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -60.24 -36.78 78.54 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.4 -0.812 . . . . 50.0 110.419 176.464 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.29 -44.86 73.09 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 109.076 -1.61 . . . . 50.0 109.076 176.028 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.43 -40.03 64.84 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 123.062 0.545 . . . . 25.0 111.848 -179.472 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -65.4 -43.86 89.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.09 0.471 . . . . 50.0 111.5 179.558 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.82 73.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.194 0.521 . . . . 25.0 110.643 -177.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.21 -26.49 29.53 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 CA-C-N 116.312 -0.404 . . . . 50.0 110.795 -178.971 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.7 65.68 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.432 0.56 . . . . 25.0 111.224 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.76 86.97 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.644 -0.502 . . . . 25.0 109.644 177.569 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -34.01 66.92 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 116.696 -0.229 . . . . 25.0 110.81 177.149 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.436 ' HA ' HG11 ' A' ' 476' ' ' VAL . 53.0 mm-40 -69.43 -46.51 66.63 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.271 0.471 . . . . 50.0 112.271 -179.558 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -63.11 -26.53 68.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.21 -0.663 . . . . 50.0 109.21 178.366 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.23 -52.25 11.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.445 -0.798 . . . . 50.0 111.661 176.621 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.436 HG11 ' HA ' ' A' ' 473' ' ' GLN . 14.4 p -62.54 -36.01 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 118.86 0.755 . . . . 50.0 110.119 -175.748 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -62.26 -35.5 79.16 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.168 178.458 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.04 97.74 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.678 -0.409 . . . . 25.0 110.091 -179.843 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.2 -34.11 53.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.28 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.591 0.71 . . . . 25.0 109.452 179.477 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.6 mt -78.99 -43.19 24.93 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 109.521 -0.548 . . . . 50.0 109.521 176.627 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.4 mtm -61.81 -27.21 68.6 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 116.488 -0.324 . . . . 50.0 111.606 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 32.6 p -78.69 -35.49 44.99 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.655 -0.818 . . . . 25.0 110.394 -176.811 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -79.77 -30.44 40.69 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.275 -0.57 . . . . 50.0 110.277 176.386 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -70.86 -25.78 62.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.51 -0.922 . . . . 50.0 108.51 175.791 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -74.77 0.85 55.91 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.059 177.073 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -111.02 28.0 9.14 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 105.532 -2.025 . . . . 50.0 105.532 176.791 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 59.78 32.62 21.45 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.399 -1.273 . . . . 25.0 111.89 -178.511 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -77.79 59.19 3.83 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-O 122.414 1.008 . . . . 25.0 111.983 178.646 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.213 -0.858 0 CA-C-O 123.573 1.654 . . . . 25.0 113.153 -178.275 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 122.803 1.224 . . . . 25.0 112.731 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 98.3 p -152.43 178.88 9.08 Favored 'General case' 0 CA--C 1.521 -0.17 0 O-C-N 121.213 -1.169 . . . . 25.0 108.376 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -127.16 73.0 1.39 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.283 -1.377 . . . . 50.0 107.283 177.322 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 46.0 p -147.9 159.89 43.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 -177.549 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -143.44 163.64 32.54 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.599 -1.26 . . . . 50.0 107.599 -178.592 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 83.6 p -100.96 162.23 13.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.457 -1.312 . . . . 50.0 107.457 174.449 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.97 -14.2 61.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.883 -0.599 . . . . 50.0 111.329 -176.535 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.99 -41.81 80.33 Favored Glycine 0 C--O 1.216 -0.972 0 N-CA-C 108.614 -1.794 . . . . 50.0 108.614 176.211 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -63.71 -35.27 80.02 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.833 -0.432 . . . . 50.0 109.833 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.04 -35.3 63.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.079 0.466 . . . . 50.0 109.936 178.948 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.5 m -67.84 -38.38 83.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.423 -0.584 . . . . 50.0 109.423 178.873 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -72.76 -29.6 63.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.562 . . . . 25.0 110.276 178.909 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 48.4 ttm -59.62 -35.64 74.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.598 0.359 . . . . 50.0 111.369 -179.339 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.68 72.3 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.129 0.49 . . . . 25.0 110.792 178.435 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -74.64 -34.97 62.86 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.778 -0.452 . . . . 25.0 109.778 178.64 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.68 -42.05 91.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.328 -0.619 . . . . 50.0 109.328 178.48 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.82 -44.44 90.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.042 0.449 . . . . 50.0 110.062 178.31 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.19 90.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.851 0.358 . . . . 25.0 110.566 179.177 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.41 94.77 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.525 179.864 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.35 -44.74 96.66 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 121.718 0.771 . . . . 50.0 109.906 179.406 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.96 -46.63 82.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.208 -0.906 . . . . 50.0 111.647 179.528 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.08 -34.46 64.0 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.012 0.824 . . . . 50.0 113.014 177.386 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 63.0 mtm -65.4 -35.93 82.44 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 121.681 -0.637 . . . . 50.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 92.9 m -53.5 -34.05 56.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.333 0.587 . . . . 25.0 110.841 178.941 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -67.93 -42.34 81.18 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.839 -0.538 . . . . 50.0 110.105 -178.255 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -71.13 -37.76 72.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.694 -0.854 . . . . 50.0 108.694 -179.826 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.94 -36.96 75.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.79 -1.095 . . . . 50.0 111.848 -179.748 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 50.3 mt -68.19 -14.38 62.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.144 0.424 . . . . 50.0 112.144 179.143 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -114.72 18.78 16.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.9 0.381 . . . . 25.0 110.093 178.203 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -148.07 -158.44 0.91 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.165 0.507 . . . . 25.0 110.14 -178.59 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 146.43 -175.86 25.65 Favored Glycine 0 C--O 1.226 -0.405 0 N-CA-C 107.257 -2.337 . . . . 25.0 107.257 179.852 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 49.95 64.64 1.69 Allowed 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.797 1.036 . . . . 25.0 113.797 177.851 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -100.97 143.56 30.97 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.43 -1.322 . . . . 50.0 107.43 176.583 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -162.83 24.92 0.09 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 104.935 -2.246 . . . . 50.0 104.935 178.934 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.88 -25.5 61.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.196 -1.366 . . . . 50.0 110.438 -172.3 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -116.94 11.87 14.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.586 -1.188 . . . . 50.0 107.859 178.68 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 49.84 46.85 23.78 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.403 -1.726 . . . . 25.0 112.604 -174.835 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -52.58 150.68 8.88 Favored Pre-proline 0 C--O 1.246 0.877 0 CA-C-O 121.613 0.721 . . . . 50.0 112.503 179.39 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -73.86 170.39 20.18 Favored 'Trans proline' 0 C--N 1.346 0.446 0 N-CA-C 114.97 1.104 . . . . 50.0 114.97 -175.89 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 178.48 -39.91 0.08 OUTLIER Glycine 0 C--O 1.219 -0.836 0 N-CA-C 110.422 -1.071 . . . . 25.0 110.422 179.46 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.72 -32.29 56.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.992 -0.744 . . . . 50.0 108.992 177.873 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -23.42 63.52 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -179.424 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 171.81 164.46 27.44 Favored Glycine 0 C--O 1.223 -0.562 0 C-N-CA 120.676 -0.773 . . . . 25.0 112.098 -179.152 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -72.6 -3.61 25.83 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -177.821 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.1 m -79.48 65.89 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.008 0.432 . . . . 50.0 111.356 179.972 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -153.63 157.18 39.25 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.56 -2.015 . . . . 25.0 105.56 -179.376 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -105.66 -76.79 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 118.207 0.458 . . . . 50.0 110.099 178.372 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -78.21 -25.15 46.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 179.398 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -52.98 -28.94 33.85 Favored Glycine 0 C--O 1.222 -0.652 0 CA-C-N 115.011 -0.995 . . . . 25.0 113.659 173.834 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.47 -35.32 73.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.625 -0.927 . . . . 50.0 110.265 177.014 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -76.18 -34.97 59.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.094 -0.706 . . . . 50.0 109.094 179.465 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.22 93.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.997 -0.547 . . . . 25.0 109.76 177.733 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -35.78 82.2 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.808 -0.442 . . . . 50.0 109.808 179.571 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -60.5 -37.23 80.41 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.769 -0.582 . . . . 50.0 109.579 178.469 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.27 -47.12 46.0 Favored Glycine 0 C--O 1.22 -0.774 0 N-CA-C 109.557 -1.417 . . . . 50.0 109.557 176.559 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.49 63.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -179.631 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -68.76 -43.53 75.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.221 0.534 . . . . 50.0 110.897 178.831 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.53 -44.15 83.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.047 0.451 . . . . 25.0 110.655 -178.131 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.0 m -69.07 -31.4 50.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 120.863 -0.335 . . . . 50.0 110.198 -179.754 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.87 -33.85 67.24 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.211 0.459 . . . . 25.0 111.346 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.6 88.07 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 177.53 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -36.85 67.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.51 0.195 . . . . 25.0 110.624 176.589 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.409 ' HA ' HG13 ' A' ' 476' ' ' VAL . 39.4 mm-40 -65.68 -45.66 82.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.952 0.406 . . . . 50.0 111.847 -179.155 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.45 -27.1 68.75 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.801 -0.562 . . . . 50.0 109.492 178.79 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -51.16 17.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.881 -0.599 . . . . 50.0 110.805 177.428 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.409 HG13 ' HA ' ' A' ' 473' ' ' GLN . 10.8 p -63.03 -36.31 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 118.836 0.743 . . . . 50.0 109.485 -176.15 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -62.49 -36.43 82.49 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.723 -0.671 . . . . 25.0 110.155 178.376 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.4 89.7 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.773 -0.371 . . . . 25.0 110.351 -179.4 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.51 -35.24 60.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 C-N-CA 120.543 -0.463 . . . . 50.0 109.898 -178.874 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.16 -27.82 66.01 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.412 0.625 . . . . 25.0 109.782 179.671 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -78.43 -43.12 28.08 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.259 0.552 . . . . 50.0 110.096 176.486 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.0 mtm -60.8 -26.94 67.66 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.911 -179.055 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.8 p -77.85 -37.67 47.79 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 118.841 -1.144 . . . . 25.0 109.848 -176.145 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -81.65 -23.83 36.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.758 -0.377 . . . . 50.0 111.338 178.625 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -79.77 -37.85 34.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.767 -0.583 . . . . 50.0 110.061 176.097 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -69.67 -42.93 69.88 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 111.836 -0.505 . . . . 25.0 111.836 179.756 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 38.75 45.21 0.9 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.061 1.504 . . . . 50.0 115.061 176.869 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -139.71 -157.3 0.75 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.796 -1.093 . . . . 25.0 109.095 -177.382 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . 0.432 ' C ' ' HXT' ' A' ' 490' ' ' SER . . . 84.83 39.95 8.43 Favored Glycine 0 C--O 1.226 -0.406 0 CA-C-O 122.166 0.87 . . . . 25.0 112.611 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 490' ' ' SER . . . . . 0.432 ' HXT' ' C ' ' A' ' 489' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 116.096 1.888 . . . . 25.0 116.096 -177.786 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.722 0 CA-C-O 124.887 2.382 . . . . 25.0 110.397 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 14.4 t -70.54 -4.32 22.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 112.286 -1.957 . . . . 25.0 113.154 -178.247 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 67.24 171.53 0.26 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.586 1.154 . . . . 50.0 111.226 -178.568 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 8.0 m 59.21 -160.05 0.29 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.46 -0.791 . . . . 25.0 109.591 -176.965 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -159.9 145.4 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.249 -1.389 . . . . 50.0 107.249 177.506 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.6 m -92.79 36.11 1.03 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 123.355 0.662 . . . . 50.0 111.501 -179.37 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 64.41 -47.81 0.31 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.449 2.018 . . . . 50.0 116.449 178.993 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.33 -31.72 81.35 Favored Glycine 0 C--O 1.221 -0.677 0 N-CA-C 109.472 -1.451 . . . . 50.0 109.472 177.453 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.18 -18.48 64.53 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 112.07 0.396 . . . . 50.0 112.07 179.432 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.14 -35.34 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.138 -1.06 . . . . 50.0 108.138 177.829 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 40.4 m -70.42 -37.56 74.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.047 -0.723 . . . . 50.0 109.047 177.649 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.39 -34.78 77.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 178.814 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.59 -38.26 86.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.269 -0.423 . . . . 50.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.35 75.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.991 0.425 . . . . 25.0 110.064 179.498 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.41 75.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 178.314 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.95 -45.43 91.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.093 -0.706 . . . . 50.0 109.093 178.123 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.31 -44.21 95.65 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.039 -0.356 . . . . 50.0 110.039 179.332 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.87 97.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.786 -0.188 . . . . 25.0 110.748 179.444 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.69 98.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.688 -0.233 . . . . 25.0 110.945 -179.666 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.32 -41.58 89.45 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.749 0.785 . . . . 50.0 110.069 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 52.6 mt -62.58 -45.23 93.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.863 -0.608 . . . . 50.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.92 -32.71 59.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.545 0.943 . . . . 50.0 113.545 -179.853 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 16.4 ptp -65.08 -35.11 80.12 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 118.725 0.693 . . . . 50.0 110.372 -177.893 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 26.3 m -66.62 -35.59 80.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.359 0.6 . . . . 25.0 109.835 -178.769 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -69.57 -39.05 77.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.64 -0.874 . . . . 50.0 108.64 178.18 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -63.56 -41.43 98.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.981 -1.009 . . . . 50.0 113.19 -179.4 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 24.5 m -73.97 -33.39 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 113.115 0.783 . . . . 50.0 113.115 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.5 -41.78 83.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.52 0.193 . . . . 50.0 111.52 179.366 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -83.03 -54.69 4.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.333 0.587 . . . . 25.0 109.986 179.37 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . 50.65 -156.71 0.11 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.643 -1.162 . . . . 25.0 113.45 -179.768 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 165.71 -154.56 25.3 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 108.266 -1.934 . . . . 25.0 108.266 -178.201 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 48.84 47.45 21.31 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 177.269 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -73.24 133.95 44.13 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.026 -1.472 . . . . 50.0 107.026 178.979 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -110.18 29.63 7.49 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.992 0.901 . . . . 50.0 108.668 -177.507 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.93 -32.5 72.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.913 -1.039 . . . . 50.0 112.903 -175.093 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -105.97 48.4 0.84 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.955 0.883 . . . . 50.0 110.705 -176.529 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -118.99 22.39 11.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.911 179.731 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -75.79 151.56 84.59 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.166 -0.614 . . . . 50.0 110.236 -178.761 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.66 43.72 1.54 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 120.939 1.093 . . . . 50.0 112.571 177.732 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -160.29 -135.55 1.86 Allowed Glycine 0 C--N 1.315 -0.587 0 CA-C-N 114.733 -1.121 . . . . 25.0 113.699 -175.854 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.28 -38.3 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 122.94 0.496 . . . . 50.0 111.648 -178.055 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 5.0 t -167.19 37.4 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 -179.003 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 76.12 -80.54 1.1 Allowed Glycine 0 CA--C 1.516 0.13 0 N-CA-C 110.71 -0.956 . . . . 25.0 110.71 -174.835 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -151.0 143.21 24.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 103.89 -2.633 . . . . 25.0 103.89 177.702 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.7 t 64.54 -174.48 0.17 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.779 0.675 . . . . 50.0 109.751 -175.193 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -116.12 112.04 21.12 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 121.19 0.519 . . . . 25.0 109.852 -179.262 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -100.79 -73.4 0.64 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.765 -1.107 . . . . 50.0 110.03 177.635 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -65.2 -28.87 69.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.629 0.728 . . . . 25.0 110.04 178.641 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -55.89 -28.85 53.94 Favored Glycine 0 C--O 1.224 -0.53 0 CA-C-N 115.062 -0.972 . . . . 25.0 113.343 178.027 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -61.39 -36.67 80.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.687 0.743 . . . . 50.0 111.261 179.479 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -76.28 -34.52 59.1 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.937 -0.764 . . . . 50.0 108.937 -178.049 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.34 83.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.868 -0.606 . . . . 25.0 110.984 177.956 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -33.46 75.74 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 122.079 -0.388 . . . . 50.0 110.092 -179.833 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -62.98 -34.34 77.33 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.322 -0.551 . . . . 50.0 110.12 178.062 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.12 -45.27 62.75 Favored Glycine 0 C--O 1.221 -0.7 0 N-CA-C 108.422 -1.871 . . . . 50.0 108.422 175.814 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.98 67.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.398 0.279 . . . . 25.0 111.646 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.43 -46.06 84.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.135 0.493 . . . . 50.0 111.072 178.425 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.67 -44.69 81.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.34 -0.391 . . . . 25.0 110.994 -177.819 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.1 m -69.47 -28.47 38.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.902 0 C-N-CA 120.658 -0.417 . . . . 50.0 110.63 -178.885 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.7 68.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.487 0.585 . . . . 25.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.49 87.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 177.742 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -35.88 67.58 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.705 -0.225 . . . . 25.0 110.777 177.337 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.401 ' HA ' HG13 ' A' ' 476' ' ' VAL . 53.5 mm-40 -66.75 -46.54 75.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.933 -0.479 . . . . 50.0 111.781 -179.912 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -64.73 -27.15 68.71 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.096 -0.641 . . . . 50.0 109.517 178.737 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -51.57 20.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.719 -0.673 . . . . 50.0 110.997 176.552 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.401 HG13 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -62.75 -35.04 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 118.855 0.752 . . . . 50.0 109.808 -176.327 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -62.42 -34.98 77.82 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.664 178.096 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.39 98.78 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.843 -0.343 . . . . 25.0 110.31 179.195 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.91 -34.66 56.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 N-CA-C 109.623 -0.51 . . . . 50.0 109.623 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.99 64.1 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.521 0.677 . . . . 25.0 110.053 179.394 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.49 -42.96 33.8 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 121.317 0.579 . . . . 50.0 109.658 176.001 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.6 mtm -62.1 -28.09 69.38 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.129 -0.357 . . . . 50.0 110.991 -179.549 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.9 p -78.7 -15.27 58.68 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.233 -0.587 . . . . 25.0 112.214 -176.426 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -107.69 -26.41 10.85 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.686 0.254 . . . . 50.0 111.686 176.481 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -84.08 -28.99 27.17 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 121.812 -0.555 . . . . 50.0 112.116 177.349 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -66.2 -31.63 79.76 Favored Glycine 0 C--O 1.225 -0.467 0 C-N-CA 121.078 -0.582 . . . . 25.0 114.103 -178.167 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 46.96 29.38 1.02 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.392 1.627 . . . . 50.0 115.392 176.828 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -85.95 167.42 15.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 97.69 -6.7 62.86 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 121.377 -0.439 . . . . 25.0 114.023 177.752 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.208 -1.106 0 CA-C-O 123.811 1.767 . . . . 25.0 111.868 179.019 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.446 0 CA-C-O 122.537 1.076 . . . . 25.0 112.285 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 17.2 m -69.66 144.11 53.0 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.213 -1.169 . . . . 25.0 109.414 179.314 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -67.84 -24.55 65.28 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 110.857 -0.053 . . . . 50.0 110.857 179.678 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 4.7 t 65.24 -179.65 0.19 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.227 0.954 . . . . 25.0 110.237 -177.073 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -165.19 157.78 15.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.359 -0.978 . . . . 50.0 108.359 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 416' ' ' SER . . . . . 0.544 ' H ' ' HG3' ' A' ' 419' ' ' GLU . 16.0 m -103.11 41.07 1.29 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 122.868 0.467 . . . . 50.0 110.583 177.462 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 62.59 -54.96 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 116.861 2.171 . . . . 50.0 116.861 177.963 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.84 -26.23 73.94 Favored Glycine 0 C--O 1.221 -0.707 0 N-CA-C 108.476 -1.85 . . . . 50.0 108.476 177.007 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . 0.544 ' HG3' ' H ' ' A' ' 416' ' ' SER . 5.2 mm-40 -63.01 -26.41 68.84 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 114.503 -0.849 . . . . 50.0 110.88 178.678 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.73 -30.86 49.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 N-CA-C 109.576 -0.527 . . . . 50.0 109.576 -177.746 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.9 m -66.0 -39.44 90.3 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.954 -0.466 . . . . 50.0 110.433 178.649 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -72.84 -37.39 67.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.699 0.761 . . . . 25.0 109.248 179.4 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 30.3 ttm -63.21 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.732 -0.667 . . . . 50.0 109.384 -178.733 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.97 74.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.555 . . . . 25.0 109.878 178.815 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.42 75.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 178.977 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.52 -45.79 91.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.292 0.567 . . . . 50.0 109.514 178.047 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.65 -42.24 96.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.823 -0.436 . . . . 50.0 109.823 179.019 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.33 87.05 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.163 -0.31 . . . . 25.0 110.163 178.59 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.26 92.79 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.966 0.412 . . . . 25.0 110.098 179.612 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -64.12 -44.49 92.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.48 0.657 . . . . 50.0 109.302 179.438 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.77 -42.7 99.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.76 -0.655 . . . . 50.0 111.613 -179.878 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -73.72 -32.04 63.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 119.155 -1.018 . . . . 50.0 112.389 -178.625 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 61.8 mtm -69.11 -35.47 76.46 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.017 0.371 . . . . 50.0 110.381 176.794 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.4 m -54.17 -30.12 48.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.56 0.695 . . . . 25.0 110.706 178.542 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -63.58 -41.66 98.35 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.9 -0.5 . . . . 50.0 111.889 -179.275 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -74.64 -37.29 62.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.311 0.577 . . . . 50.0 109.57 178.465 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.38 -40.48 81.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.306 -0.861 . . . . 50.0 110.636 178.805 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 42.3 mt -66.21 -19.81 65.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.961 0.726 . . . . 50.0 112.961 178.675 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.46 3.54 50.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.858 0.361 . . . . 25.0 111.895 179.82 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -104.4 165.93 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.967 0.413 . . . . 25.0 110.492 -178.097 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -69.29 145.28 42.38 Favored Glycine 0 C--O 1.229 -0.158 0 N-CA-C 108.542 -1.823 . . . . 25.0 108.542 176.399 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -140.93 -169.75 2.89 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.739 0.781 . . . . 25.0 110.258 -177.623 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -91.65 161.56 14.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.499 -1.228 . . . . 50.0 111.525 -177.284 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -105.02 34.72 3.07 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 106.873 -1.529 . . . . 50.0 106.873 176.851 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 3.5 t0 66.47 -42.61 0.4 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.639 1.976 . . . . 50.0 115.164 -177.089 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -81.36 57.27 3.18 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 123.637 1.684 . . . . 50.0 108.689 178.339 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -115.41 51.04 0.95 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 113.239 -1.8 . . . . 25.0 108.405 175.744 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -95.46 162.04 25.83 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 108.943 -0.762 . . . . 50.0 108.943 -179.675 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.63 163.14 38.13 Favored 'Trans proline' 0 C--O 1.217 -0.567 0 CA-C-O 121.594 0.581 . . . . 50.0 113.278 -179.597 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -73.83 -3.59 64.17 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 115.539 0.976 . . . . 25.0 115.539 -176.48 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.26 116.8 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 107.702 -1.221 . . . . 50.0 107.702 176.608 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 6.0 t 60.64 -175.96 0.11 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.967 -1.015 . . . . 25.0 110.537 -176.105 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -103.84 175.52 23.3 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.571 -1.011 . . . . 25.0 110.571 179.862 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -59.31 143.26 49.91 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 116.984 0.392 . . . . 25.0 110.131 178.415 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.9 m -132.59 144.97 50.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.989 0.423 . . . . 50.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -96.37 147.62 23.62 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 178.218 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -110.23 -79.24 0.58 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.172 1.175 . . . . 50.0 114.172 -178.94 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -63.35 -29.24 70.58 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -179.848 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.54 84.48 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.495 -0.642 . . . . 25.0 111.495 177.774 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -68.22 -40.2 82.16 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 108.951 -0.759 . . . . 50.0 108.951 179.374 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -63.04 -37.24 86.39 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.322 -0.551 . . . . 50.0 110.238 -178.917 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.67 -46.16 80.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.391 -0.368 . . . . 25.0 110.24 178.289 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -37.22 86.9 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 120.998 -0.281 . . . . 50.0 110.435 -179.831 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -63.69 -32.27 73.71 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.866 -0.521 . . . . 50.0 110.967 178.155 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -64.63 -46.58 89.6 Favored Glycine 0 C--O 1.219 -0.84 0 N-CA-C 107.703 -2.159 . . . . 50.0 107.703 175.741 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.84 71.11 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 120.693 0.283 . . . . 25.0 111.679 178.677 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -66.63 -43.53 84.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.294 0.569 . . . . 50.0 110.989 178.44 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.33 83.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.257 -0.429 . . . . 25.0 110.672 -178.505 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.85 -27.1 31.86 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 CA-C-O 119.049 -0.5 . . . . 50.0 110.531 -179.656 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.79 74.26 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.732 0.696 . . . . 25.0 110.396 179.449 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.44 87.25 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 178.186 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.8 -32.09 65.3 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.033 -0.53 . . . . 25.0 110.809 178.019 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -69.9 -44.68 69.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.195 -0.316 . . . . 50.0 110.936 -179.666 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -65.99 -27.41 68.12 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.041 -0.664 . . . . 50.0 109.804 177.547 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -50.6 31.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.144 -0.48 . . . . 50.0 110.459 176.956 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.86 -36.63 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.854 -0.738 . . . . 50.0 109.787 -178.521 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -63.94 -35.31 80.25 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.69 177.156 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.96 -42.61 94.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.928 -0.482 . . . . 25.0 110.592 179.487 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.96 -34.97 52.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 -179.49 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.56 -25.59 64.67 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.594 0.711 . . . . 25.0 109.943 178.479 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.2 mt -78.08 -41.19 36.13 Favored 'General case' 0 C--O 1.21 -1.005 0 O-C-N 121.734 -0.604 . . . . 50.0 109.538 176.244 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.0 mtm -63.81 -30.04 71.17 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.413 -0.515 . . . . 50.0 111.069 -179.836 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 44.4 p -75.72 -36.94 59.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.113 -0.635 . . . . 25.0 110.412 -177.465 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -79.82 -26.55 40.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.193 -0.603 . . . . 50.0 111.388 176.852 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.11 -29.38 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.68 -0.638 . . . . 50.0 110.789 176.449 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -71.24 -18.97 77.09 Favored Glycine 0 C--O 1.225 -0.455 0 C-N-CA 120.669 -0.776 . . . . 25.0 111.59 177.626 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 49.77 31.65 4.64 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 114.266 1.21 . . . . 50.0 114.266 177.325 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.1 78.64 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 121.144 0.497 . . . . 25.0 111.314 -179.592 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -92.04 31.96 5.67 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 116.074 -0.512 . . . . 25.0 112.842 178.521 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.207 -1.171 0 CA-C-O 123.311 1.529 . . . . 25.0 113.094 -178.126 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.038 0 CA-C-O 124.04 1.911 . . . . 25.0 110.984 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 44.9 p 62.27 -177.17 0.13 Allowed 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 111.551 -2.324 . . . . 25.0 112.075 -178.729 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -153.45 146.65 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.687 -1.597 . . . . 50.0 106.687 -179.726 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 48.8 m -77.46 146.77 36.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 105.821 -1.918 . . . . 25.0 105.821 174.46 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -73.39 -23.63 60.2 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 120.103 -0.639 . . . . 50.0 110.749 -179.943 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.3 m 46.25 121.23 0.0 OUTLIER 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 120.026 3.343 . . . . 50.0 120.026 176.545 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.28 -32.09 68.09 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.618 -1.174 . . . . 50.0 112.353 -178.091 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.53 -42.18 64.3 Favored Glycine 0 C--O 1.216 -0.979 0 C-N-CA 120.383 -0.913 . . . . 50.0 110.915 177.208 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.93 -31.86 71.91 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 122.541 -0.387 . . . . 50.0 110.118 -179.28 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.22 -33.87 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.767 -0.457 . . . . 50.0 109.767 175.284 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 40.3 m -69.4 -38.59 78.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.664 -0.647 . . . . 50.0 110.289 179.035 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -71.91 -33.2 68.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.004 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.8 mtp -61.96 -44.85 95.9 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.881 -0.785 . . . . 50.0 108.881 178.587 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.54 -35.77 80.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.122 0.487 . . . . 25.0 110.562 -177.534 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.08 62.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.115 -0.493 . . . . 25.0 111.528 -179.868 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.5 p -70.97 -36.2 62.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 121.02 -0.272 . . . . 50.0 111.155 -177.333 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -59.46 -47.27 86.14 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 177.095 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.1 94.62 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.054 -0.404 . . . . 25.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.72 75.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.083 -0.508 . . . . 25.0 111.738 -179.3 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.38 -31.17 68.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.434 -0.791 . . . . 50.0 110.301 -178.394 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 30.4 mt -62.68 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.577 -0.449 . . . . 50.0 110.145 178.255 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.67 -35.51 65.22 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.965 -0.694 . . . . 50.0 111.767 178.105 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 65.5 mtm -66.28 -32.3 73.63 Favored 'General case' 0 CA--C 1.514 -0.408 0 O-C-N 122.0 -0.437 . . . . 50.0 110.46 178.777 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.8 m -59.86 -36.8 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 176.905 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -66.98 -43.95 81.69 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.969 -1.123 . . . . 50.0 107.969 179.231 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.67 -45.08 95.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.547 0.573 . . . . 50.0 112.547 -177.702 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.64 -39.75 78.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.127 0.418 . . . . 50.0 112.127 -178.642 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.4 mt -66.37 -35.16 79.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.146 -0.346 . . . . 50.0 111.267 179.463 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -73.86 -26.75 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.84 -0.344 . . . . 25.0 110.469 178.551 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.11 -40.47 52.83 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.75 -0.204 . . . . 25.0 111.324 179.46 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 138.4 -143.01 13.72 Favored Glycine 0 C--O 1.226 -0.381 0 C-N-CA 121.101 -0.571 . . . . 25.0 113.016 179.862 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -153.4 176.05 12.45 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 104.437 -2.431 . . . . 25.0 104.437 179.452 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . 0.407 ' C ' ' H ' ' A' ' 445' ' ' ASP . 24.4 ptt-85 -64.0 154.73 33.28 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.258 -0.883 . . . . 50.0 109.492 178.089 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 20.9 pm0 -81.56 8.54 9.41 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 121.694 0.759 . . . . 50.0 112.16 177.735 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . 0.448 ' C ' ' H ' ' A' ' 447' ' ' ALA . 11.7 t0 63.04 -40.63 0.18 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 128.064 2.546 . . . . 50.0 113.897 -172.08 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -74.48 42.23 0.16 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.716 1.206 . . . . 50.0 109.851 171.268 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 445' ' ' ASP . . . -104.74 19.27 20.76 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.651 0.78 . . . . 25.0 111.207 179.939 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.12 144.94 98.64 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.525 -0.762 . . . . 50.0 112.197 -178.505 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -78.48 168.25 21.66 Favored 'Trans proline' 0 C--O 1.221 -0.373 0 CA-C-O 121.414 0.506 . . . . 50.0 111.706 177.8 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 150.29 -38.89 0.88 Allowed Glycine 0 CA--C 1.508 -0.367 0 C-N-CA 120.912 -0.661 . . . . 25.0 111.992 179.19 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 47.4 t -64.35 127.11 24.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.552 -1.277 . . . . 50.0 107.552 177.965 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 9.1 m -62.28 146.09 51.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.654 -178.376 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -91.63 -152.9 29.05 Favored Glycine 0 C--O 1.226 -0.374 0 CA-C-N 116.23 -0.441 . . . . 25.0 112.146 179.032 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 58.1 -109.94 0.49 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.905 0.882 . . . . 25.0 112.001 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.7 m -78.97 76.14 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.022 0.439 . . . . 50.0 110.56 -179.107 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -147.79 169.97 18.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.217 -0.447 . . . . 25.0 111.439 -175.864 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -100.16 -76.32 0.55 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 174.46 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -62.13 -29.69 70.51 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.944 0.878 . . . . 25.0 110.224 177.353 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -55.19 -28.93 51.2 Favored Glycine 0 C--O 1.213 -1.199 0 CA-C-N 114.416 -1.266 . . . . 25.0 113.955 177.664 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -59.18 -35.82 74.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 117.856 0.828 . . . . 50.0 110.905 179.001 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -70.27 -33.36 71.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.511 0.672 . . . . 50.0 109.222 179.358 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.04 -43.87 64.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 179.377 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -36.69 79.76 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.507 -0.477 . . . . 50.0 110.44 -178.704 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -65.9 -29.21 69.6 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.389 -0.924 . . . . 50.0 110.627 179.83 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.79 -44.04 40.02 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 107.878 -2.089 . . . . 50.0 107.878 174.444 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.35 64.62 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 122.756 0.423 . . . . 25.0 111.759 179.689 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -66.63 -41.9 87.59 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.059 0.392 . . . . 50.0 112.059 178.482 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.84 -46.44 68.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 25.0 110.355 -178.176 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -65.69 -30.72 50.99 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.592 -0.521 . . . . 50.0 109.592 179.775 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.27 -27.42 55.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 179.88 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.14 93.32 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 176.843 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.86 65.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.91 0.386 . . . . 25.0 110.577 175.829 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.437 ' HA ' HG13 ' A' ' 476' ' ' VAL . 61.9 mm-40 -72.12 -45.78 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.464 0.649 . . . . 50.0 111.788 -176.378 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -63.64 -27.96 69.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.616 -0.883 . . . . 50.0 108.616 178.006 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.51 -52.86 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.069 -0.514 . . . . 50.0 110.56 177.414 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.437 HG13 ' HA ' ' A' ' 473' ' ' GLN . 10.9 p -62.1 -35.72 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 121.442 0.639 . . . . 50.0 109.588 -176.53 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -62.71 -37.06 85.03 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.804 -0.634 . . . . 25.0 110.657 178.216 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.64 91.12 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.897 -0.321 . . . . 25.0 110.358 -179.658 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.45 -34.19 47.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 C-N-CA 120.428 -0.509 . . . . 50.0 109.865 -179.87 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.54 -27.2 67.46 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.387 0.613 . . . . 25.0 109.941 -179.922 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.33 -41.55 48.01 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.852 -0.796 . . . . 50.0 108.852 177.368 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.2 mtm -63.84 -27.41 69.15 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.801 -0.636 . . . . 50.0 111.932 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.1 p -82.31 -34.35 28.65 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.519 -0.872 . . . . 25.0 109.903 -176.448 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -78.88 -26.47 43.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.141 -0.624 . . . . 50.0 110.432 177.096 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -83.0 -12.15 57.52 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.831 -0.543 . . . . 50.0 111.744 176.21 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 63.46 24.86 68.08 Favored Glycine 0 C--O 1.227 -0.29 0 N-CA-C 110.509 -1.036 . . . . 25.0 110.509 -177.536 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 46.66 28.67 0.82 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.095 1.358 . . . . 50.0 113.861 -173.403 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -72.95 147.92 44.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 178.491 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -85.61 9.88 66.54 Favored Glycine 0 C--O 1.226 -0.369 0 CA-C-O 121.913 0.73 . . . . 25.0 112.428 179.473 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.209 -1.057 0 CA-C-O 123.682 1.706 . . . . 25.0 110.1 -179.605 . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 123.506 1.614 . . . . 25.0 112.907 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 69.7 p -82.91 29.3 0.47 Allowed 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.622 -1.517 . . . . 25.0 113.518 -176.458 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -38.96 89.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 122.17 -0.331 . . . . 50.0 110.701 -178.843 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 19.9 p 59.39 -178.88 0.09 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.326 1.05 . . . . 25.0 111.597 -176.83 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -161.91 157.45 23.87 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.936 -0.765 . . . . 50.0 108.936 179.476 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -120.53 46.65 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.219 -0.66 . . . . 50.0 109.219 177.83 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 63.8 -55.91 0.22 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 116.598 2.073 . . . . 50.0 116.598 178.56 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.03 -33.73 88.02 Favored Glycine 0 C--O 1.221 -0.675 0 N-CA-C 108.107 -1.997 . . . . 50.0 108.107 176.926 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -53.15 -34.84 58.6 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.403 -0.898 . . . . 50.0 112.042 176.823 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.62 -38.2 75.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 121.966 -0.459 . . . . 50.0 109.84 -179.313 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 90.8 p -74.45 -33.6 62.96 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.89 -0.506 . . . . 50.0 111.402 -179.159 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -69.96 -33.98 72.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.445 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 56.4 ttp -71.42 -34.44 70.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.676 . . . . 50.0 109.818 -178.911 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.69 73.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 178.051 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.2 80.35 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 177.381 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.08 -44.42 91.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 N-CA-C 108.937 -0.764 . . . . 50.0 108.937 177.828 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -58.29 -43.77 88.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.935 0.398 . . . . 50.0 110.197 179.017 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.6 91.62 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.775 0.321 . . . . 25.0 110.906 179.06 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.15 86.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.461 -0.336 . . . . 25.0 110.637 179.413 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.27 -42.18 99.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.32 0.581 . . . . 50.0 109.452 179.462 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 46.8 mt -60.19 -44.17 95.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.911 -0.586 . . . . 50.0 111.196 179.426 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -74.26 -34.57 63.64 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.331 -0.948 . . . . 50.0 113.018 178.644 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.0 mtm -62.62 -37.58 86.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.95 -0.759 . . . . 50.0 108.95 178.151 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 54.9 m -59.97 -38.79 83.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.762 0.315 . . . . 25.0 110.719 177.944 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -64.75 -48.32 74.99 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.423 -0.955 . . . . 50.0 108.423 179.394 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -46.22 89.14 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.741 -1.118 . . . . 50.0 113.016 -177.993 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 30.7 m -67.47 -35.65 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 120.53 -0.468 . . . . 50.0 112.177 -179.546 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.1 -36.78 80.34 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.17 -0.331 . . . . 50.0 111.11 178.134 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -69.07 -36.87 78.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.652 0.263 . . . . 25.0 111.115 178.605 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -79.66 -15.38 57.68 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.89 0.376 . . . . 25.0 111.76 179.44 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -88.94 174.16 42.15 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-O 122.334 0.964 . . . . 25.0 114.929 -176.762 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -140.95 146.16 36.99 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 179.447 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.34 138.57 40.56 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.255 -1.387 . . . . 50.0 107.255 -179.284 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -123.29 44.02 2.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.325 0.584 . . . . 50.0 109.757 -177.549 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.39 -32.93 74.5 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.629 -0.714 . . . . 50.0 110.837 -179.433 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -142.49 75.98 1.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.025 0.917 . . . . 50.0 108.702 179.714 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -126.53 46.74 2.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.083 -0.962 . . . . 25.0 109.486 -178.137 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -69.36 152.47 96.47 Favored Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 120.778 -0.369 . . . . 50.0 110.623 -179.559 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -79.21 1.85 8.82 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 113.309 0.465 . . . . 50.0 113.309 -179.7 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 82.72 -37.5 2.65 Favored Glycine 0 C--O 1.228 -0.261 0 CA-C-O 121.267 0.371 . . . . 25.0 113.208 -179.832 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 56.3 t -124.78 117.57 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.838 0.351 . . . . 50.0 110.407 -179.818 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 10.0 m 57.28 -152.19 0.4 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 177.228 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 90.04 -167.41 33.11 Favored Glycine 0 C--O 1.224 -0.477 0 N-CA-C 108.961 -1.655 . . . . 25.0 108.961 -177.035 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -101.61 18.65 19.75 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 178.517 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 31.6 m -88.3 169.04 12.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.23 -0.895 . . . . 50.0 112.529 -176.138 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -159.68 159.17 32.67 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 104.99 -2.226 . . . . 25.0 104.99 -179.189 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -105.29 -76.76 0.6 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.208 -1.034 . . . . 50.0 108.208 173.494 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -63.04 -26.92 69.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.623 -0.673 . . . . 25.0 112.19 -177.057 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.79 -33.74 88.05 Favored Glycine 0 C--O 1.225 -0.42 0 C-N-CA 120.979 -0.629 . . . . 25.0 111.674 178.63 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.44 -49.56 66.31 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.737 -0.838 . . . . 50.0 108.737 179.444 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -64.58 -33.84 76.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.288 -0.869 . . . . 50.0 110.076 -175.591 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.2 91.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.435 . . . . 25.0 110.314 175.62 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -33.67 74.31 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 122.004 -0.435 . . . . 50.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -60.75 -35.8 77.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.682 -0.636 . . . . 50.0 109.735 176.11 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.06 -43.66 71.22 Favored Glycine 0 C--O 1.223 -0.584 0 N-CA-C 108.973 -1.651 . . . . 50.0 108.973 175.465 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.34 -39.3 66.97 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 122.681 0.392 . . . . 25.0 111.622 179.706 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -65.2 -44.19 89.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.02 0.438 . . . . 50.0 111.392 178.479 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.77 80.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.232 0.539 . . . . 25.0 110.664 -178.209 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.97 -26.61 30.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.797 0 CA-C-N 116.496 -0.32 . . . . 50.0 110.78 -179.163 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.63 -33.95 66.8 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.137 0.426 . . . . 25.0 111.319 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.14 89.97 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 177.576 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.59 -32.18 65.78 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.703 -0.226 . . . . 25.0 110.771 176.895 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.431 ' HA ' HG13 ' A' ' 476' ' ' VAL . 53.0 mm-40 -71.33 -45.53 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.989 -0.445 . . . . 50.0 112.144 -178.525 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.36 -27.08 68.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.563 -0.903 . . . . 50.0 108.563 178.243 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.27 -52.76 9.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.461 -0.79 . . . . 50.0 111.572 178.122 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.431 HG13 ' HA ' ' A' ' 473' ' ' GLN . 13.4 p -62.95 -37.06 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 118.57 0.623 . . . . 50.0 110.157 -175.406 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -63.23 -35.85 81.71 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.139 178.465 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.32 -44.74 96.69 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.407 -0.517 . . . . 25.0 109.937 -179.065 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.48 -35.29 61.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 C-N-CA 120.637 -0.425 . . . . 50.0 110.001 -179.068 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.08 62.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.365 0.602 . . . . 25.0 109.601 179.484 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.39 -43.31 19.18 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 121.091 0.472 . . . . 50.0 109.773 177.298 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.3 mtm -60.72 -28.97 69.06 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.935 0.398 . . . . 50.0 111.501 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 25.4 p -77.64 -17.15 58.03 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.231 -0.587 . . . . 25.0 112.266 -175.404 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -103.98 -33.7 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.539 -0.301 . . . . 50.0 110.319 175.999 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -69.37 -36.0 76.38 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.814 -0.554 . . . . 50.0 110.162 177.85 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -75.53 0.45 60.54 Favored Glycine 0 C--O 1.227 -0.33 0 C-N-CA 121.076 -0.583 . . . . 25.0 112.916 178.999 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -136.29 26.76 3.18 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.831 -0.803 . . . . 50.0 108.831 178.746 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -73.17 131.21 41.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.096 -177.821 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -118.42 33.5 4.8 Favored Glycine 0 C--O 1.227 -0.329 0 N-CA-C 110.359 -1.097 . . . . 25.0 110.359 178.569 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--O 1.211 -0.925 0 CA-C-O 123.453 1.596 . . . . 25.0 112.223 -178.027 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . 0.758 ' H1 ' ' HG ' ' A' ' 414' ' ' SER . . . . . . . . 0 N--CA 1.492 2.425 0 CA-C-O 123.467 1.593 . . . . 25.0 113.067 . . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 36.6 t -69.87 136.17 50.4 Favored 'General case' 0 C--N 1.334 -0.105 0 O-C-N 120.626 -1.514 . . . . 25.0 108.564 179.196 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.6 21.24 9.83 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.531 0.937 . . . . 50.0 113.531 179.319 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 414' ' ' SER . . . . . 0.758 ' HG ' ' H1 ' ' A' ' 411' ' ' GLY . 47.9 m -81.74 51.94 1.81 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 179.156 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -156.68 163.14 39.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.157 0.503 . . . . 50.0 110.719 -179.131 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.7 m -106.08 151.24 24.93 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.428 -1.693 . . . . 50.0 106.428 175.841 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.07 -27.81 68.37 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.905 -0.589 . . . . 50.0 112.313 -174.624 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.25 -34.19 87.33 Favored Glycine 0 C--O 1.217 -0.959 0 C-N-CA 120.337 -0.935 . . . . 50.0 111.267 177.36 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.18 -27.48 68.04 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 109.899 -0.408 . . . . 50.0 109.899 -179.5 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.86 -33.19 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.033 -0.729 . . . . 50.0 109.033 178.902 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.3 m -70.66 -37.87 73.74 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.386 -0.598 . . . . 50.0 109.386 177.18 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -68.01 -33.86 75.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.416 -0.586 . . . . 25.0 109.416 178.471 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 40.8 ttm -61.12 -42.92 99.42 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.725 -0.671 . . . . 50.0 109.942 179.25 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.02 77.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.341 0.591 . . . . 25.0 110.521 -178.537 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.31 -46.75 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.063 -0.517 . . . . 25.0 111.154 -179.213 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.4 p -71.01 -36.09 61.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 CA-C-N 116.52 -0.309 . . . . 50.0 111.241 -177.188 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -54.82 -43.28 72.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.901 0.382 . . . . 50.0 111.117 177.888 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.22 90.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.029 0.442 . . . . 25.0 110.607 179.354 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.33 -41.21 73.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.573 179.42 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -60.27 -40.47 90.48 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.267 0.556 . . . . 50.0 109.808 -179.5 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.23 -47.12 87.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.936 -0.575 . . . . 50.0 111.257 179.951 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.74 -32.2 63.74 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.258 -0.977 . . . . 50.0 112.572 178.983 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 72.3 mtm -66.62 -37.69 85.38 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.962 -0.461 . . . . 50.0 109.808 178.408 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 79.0 m -58.03 -37.52 74.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.259 0.552 . . . . 25.0 110.554 178.281 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -65.58 -45.46 83.17 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.952 0.882 . . . . 50.0 109.089 178.59 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -65.19 -43.19 92.42 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.679 1.363 . . . . 50.0 114.679 -178.032 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 16.1 m -67.35 -28.31 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 112.743 0.646 . . . . 50.0 112.743 -178.438 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.06 -8.61 56.53 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.011 -0.541 . . . . 50.0 111.98 177.46 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -109.88 -1.41 17.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.911 0.386 . . . . 25.0 110.213 177.999 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -89.58 170.49 10.44 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -179.301 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -61.52 -34.6 88.98 Favored Glycine 0 N--CA 1.462 0.38 0 N-CA-C 111.615 -0.594 . . . . 25.0 111.615 178.798 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -158.88 163.93 36.15 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 102.975 -2.972 . . . . 25.0 102.975 173.584 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -82.07 -37.9 25.7 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 115.399 1.629 . . . . 50.0 115.399 -174.568 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 57.89 34.47 24.38 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.468 0.707 . . . . 50.0 112.034 179.392 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -59.8 -35.6 75.02 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 116.066 1.876 . . . . 50.0 116.066 -174.682 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -122.45 24.35 9.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 114.854 1.428 . . . . 50.0 114.854 -169.78 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -112.09 48.77 0.95 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.046 0.388 . . . . 25.0 112.046 -176.205 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.38 146.93 96.89 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 120.39 -0.524 . . . . 50.0 109.646 178.505 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -85.12 54.06 3.78 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 121.359 1.373 . . . . 50.0 112.879 176.821 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -155.67 -176.8 28.24 Favored Glycine 0 N--CA 1.432 -1.571 0 N-CA-C 109.279 -1.528 . . . . 25.0 109.279 -177.999 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 5.2 p -104.23 0.55 10.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 113.054 -1.573 . . . . 50.0 108.989 -177.908 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.0 25.29 2.19 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 116.586 2.069 . . . . 25.0 116.586 179.137 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -175.12 -178.13 44.74 Favored Glycine 0 C--O 1.227 -0.307 0 N-CA-C 118.329 2.092 . . . . 25.0 118.329 -178.66 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 67.47 157.48 0.13 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.984 1.714 . . . . 25.0 113.85 -179.202 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.2 t 46.83 42.78 12.47 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.663 0.986 . . . . 50.0 113.663 178.814 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -145.98 160.9 41.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -174.39 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -99.98 -73.95 0.62 Allowed 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 107.85 -1.167 . . . . 50.0 107.85 173.703 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -61.07 -31.73 71.39 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.741 0.781 . . . . 25.0 111.318 176.718 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -53.18 -28.91 35.42 Favored Glycine 0 C--O 1.212 -1.237 0 CA-C-N 114.921 -1.036 . . . . 25.0 113.873 176.41 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -57.49 -31.6 66.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.771 -0.84 . . . . 50.0 111.571 179.54 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -69.04 -32.72 72.42 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 109.343 -0.614 . . . . 50.0 109.343 178.692 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.3 -47.98 45.78 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 178.949 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -35.74 81.99 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 120.746 -0.381 . . . . 50.0 111.648 -177.304 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.17 -27.86 65.9 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.874 -0.73 . . . . 50.0 110.503 178.106 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.15 -40.81 61.15 Favored Glycine 0 C--O 1.221 -0.709 0 N-CA-C 108.112 -1.995 . . . . 50.0 108.112 174.302 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.87 -31.87 51.24 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.207 0.527 . . . . 25.0 111.747 178.34 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -76.36 -38.46 55.78 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.872 -0.518 . . . . 50.0 111.295 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.48 75.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -178.872 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.1 m -67.43 -31.53 53.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.709 -0.478 . . . . 50.0 109.709 179.573 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.19 -28.46 64.82 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 122.071 -0.393 . . . . 25.0 111.679 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.07 88.94 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 177.04 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.64 -39.16 67.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.087 -0.338 . . . . 25.0 110.087 176.404 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . 0.411 ' HA ' HG11 ' A' ' 476' ' ' VAL . 35.3 mm-40 -64.15 -45.97 86.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.403 0.52 . . . . 50.0 112.403 -179.314 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.79 -27.17 68.71 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.476 -0.765 . . . . 50.0 109.756 178.888 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -51.57 17.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.904 -0.589 . . . . 50.0 110.379 177.39 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . 0.411 HG11 ' HA ' ' A' ' 473' ' ' GLN . 10.3 p -62.67 -36.62 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 118.832 0.742 . . . . 50.0 109.181 -176.41 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -62.46 -36.52 82.72 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.704 -0.68 . . . . 25.0 110.09 178.706 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.82 91.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.504 -179.65 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.2 -33.25 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.446 -0.502 . . . . 50.0 109.894 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.71 67.76 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 179.134 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.37 -44.16 37.55 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.389 0.614 . . . . 50.0 109.958 177.448 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.8 mtm -62.21 -26.58 68.44 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 116.136 -0.484 . . . . 50.0 111.681 -179.388 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 21.6 p -81.96 -34.3 29.82 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 119.217 -0.993 . . . . 25.0 109.813 -176.198 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -78.55 -31.89 47.64 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.906 -0.718 . . . . 50.0 110.246 176.665 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -71.42 -31.11 66.85 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.912 -0.773 . . . . 50.0 108.912 176.542 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -82.6 8.92 60.55 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-O 119.473 -0.626 . . . . 25.0 112.427 177.063 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 48.46 33.92 4.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.001 1.721 . . . . 50.0 111.309 178.408 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 54.44 26.81 7.47 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 113.109 -1.859 . . . . 25.0 113.948 176.656 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -82.51 57.84 5.01 Favored Glycine 0 C--O 1.227 -0.306 0 N-CA-C 111.953 -0.459 . . . . 25.0 111.953 179.452 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.208 -1.119 0 CA-C-O 125.104 2.383 . . . . 25.0 112.822 -178.16 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 CA-C-O 122.629 1.127 . . . . 25.0 112.633 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 20.1 m -63.87 141.8 58.63 Favored 'General case' 0 C--O 1.226 -0.141 0 O-C-N 121.433 -1.039 . . . . 25.0 110.402 179.387 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -126.85 -11.57 6.01 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 121.081 0.467 . . . . 50.0 111.081 177.503 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 16.4 m -75.08 -21.65 58.83 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 109.53 -0.545 . . . . 25.0 109.53 177.458 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -160.8 150.93 17.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 105.645 -1.983 . . . . 50.0 105.645 178.083 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 12.8 t -100.11 41.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.527 0.679 . . . . 50.0 111.49 179.361 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 63.25 -48.88 0.22 Allowed 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 118.718 2.858 . . . . 50.0 118.718 175.797 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.53 -30.69 76.89 Favored Glycine 0 C--O 1.226 -0.35 0 N-CA-C 109.305 -1.518 . . . . 50.0 109.305 178.223 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -66.78 -20.34 65.93 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 114.361 -0.92 . . . . 50.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 88.5 t -62.75 -27.59 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 109.04 -0.726 . . . . 50.0 109.04 179.205 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 5.8 m -66.92 -41.63 86.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.175 0.512 . . . . 50.0 111.431 177.903 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.77 -31.07 59.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.695 0.76 . . . . 25.0 108.985 -179.042 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.2 mtp -60.3 -45.4 93.5 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.34 -0.845 . . . . 50.0 109.203 177.806 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.98 74.29 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.977 0.418 . . . . 25.0 111.11 -179.029 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.21 -47.4 61.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.801 0.334 . . . . 25.0 111.16 -179.621 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.85 -34.2 55.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-O 120.756 0.312 . . . . 50.0 110.793 -178.886 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -59.21 -43.8 92.26 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.391 -0.596 . . . . 50.0 109.391 175.729 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.38 84.14 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.831 0.348 . . . . 25.0 110.419 178.55 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.03 -42.61 84.59 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 116.454 -0.339 . . . . 25.0 110.465 178.798 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.53 -41.11 98.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.701 0.762 . . . . 50.0 109.874 179.401 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.06 -40.7 94.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.512 -0.767 . . . . 50.0 110.493 178.568 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -33.66 64.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 119.657 -0.817 . . . . 50.0 110.446 178.393 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.4 tpp -63.27 -30.25 71.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 50.0 110.81 179.454 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 59.1 m -52.94 -37.34 60.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.935 -0.575 . . . . 25.0 112.41 -179.037 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 28.2 ptt-85 -65.67 -33.14 75.21 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.185 -0.947 . . . . 50.0 111.354 -178.451 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.74 -48.19 22.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.595 0.961 . . . . 50.0 113.595 -178.734 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.8 m -63.29 -29.52 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 115.268 1.581 . . . . 50.0 115.268 -174.595 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.66 -10.84 29.7 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.423 0.897 . . . . 50.0 113.423 179.416 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -118.29 15.13 13.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 179.434 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -124.89 144.37 50.36 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.02 -0.733 . . . . 25.0 109.02 -179.655 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 74.77 4.51 71.29 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 111.426 -0.67 . . . . 25.0 111.426 -178.507 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -159.55 172.03 18.57 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 102.87 -3.011 . . . . 25.0 102.87 -178.023 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 64.91 -29.89 0.11 Allowed 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 116.936 2.199 . . . . 50.0 116.936 179.401 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 69.36 23.84 6.03 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.378 1.471 . . . . 50.0 113.3 177.571 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.82 -26.32 49.43 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 104.881 -2.266 . . . . 50.0 104.881 173.221 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -90.1 14.46 12.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.126 -1.397 . . . . 50.0 112.351 -178.225 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -96.46 15.51 21.22 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.914 -1.039 . . . . 25.0 110.235 -179.555 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 19.27 72.66 0.22 Allowed Pre-proline 0 CA--C 1.56 1.364 0 N-CA-C 117.272 2.323 . . . . 50.0 117.272 -178.193 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.86 -35.71 31.91 Favored 'Trans proline' 0 CA--C 1.53 0.324 1 C-N-CA 128.332 6.021 . . . . 50.0 115.753 -178.827 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 63.11 31.02 79.29 Favored Glycine 0 N--CA 1.46 0.25 0 CA-C-O 122.045 0.803 . . . . 25.0 112.837 -178.228 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 12.3 p -56.27 134.18 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.86 0.838 . . . . 50.0 110.793 -176.873 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 69.1 m -143.98 167.04 23.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -177.615 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 148.49 -14.91 1.25 Allowed Glycine 0 C--O 1.224 -0.51 0 N-CA-C 115.765 1.066 . . . . 25.0 115.765 178.741 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -63.01 130.39 44.49 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 117.689 0.745 . . . . 25.0 110.499 179.438 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.0 m -72.39 142.81 48.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.262 -0.427 . . . . 50.0 110.818 179.739 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -154.58 149.39 26.61 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.276 -0.268 . . . . 25.0 110.276 179.335 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -93.55 -76.29 0.48 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.324 -0.621 . . . . 50.0 109.324 177.41 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -68.8 -24.9 64.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 122.13 0.966 . . . . 25.0 109.823 178.398 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -53.69 -28.91 39.6 Favored Glycine 0 C--O 1.207 -1.576 0 CA-C-N 114.082 -1.417 . . . . 25.0 113.623 177.181 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -55.26 -38.6 68.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 118.473 1.136 . . . . 50.0 112.708 179.962 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -69.78 -31.11 68.87 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 121.171 0.51 . . . . 50.0 109.682 179.671 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.3 -48.23 43.86 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 177.061 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -35.47 80.53 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 111.901 0.334 . . . . 50.0 111.901 -175.33 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -60.59 -27.75 67.97 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.831 -0.747 . . . . 50.0 111.518 179.146 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -84.1 -40.92 8.31 Favored Glycine 0 C--O 1.219 -0.783 0 N-CA-C 108.677 -1.769 . . . . 50.0 108.677 174.76 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.1 68.99 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 -179.107 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -64.71 -44.67 89.47 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.211 0.529 . . . . 50.0 111.371 178.605 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.45 83.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.476 -177.854 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.6 m -70.95 -31.28 44.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 C-N-CA 120.378 -0.529 . . . . 50.0 110.408 -179.51 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.55 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.372 0.533 . . . . 25.0 110.885 -179.074 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.64 84.42 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 177.782 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.71 -34.27 67.0 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.557 0.218 . . . . 25.0 111.287 177.872 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -69.44 -42.59 74.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.14 0.495 . . . . 50.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -72.12 -26.17 62.02 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.268 -0.895 . . . . 50.0 109.903 177.519 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -49.8 66.93 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.777 -0.823 . . . . 50.0 108.777 175.675 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.29 -35.31 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.201 -0.666 . . . . 50.0 109.201 -177.144 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -61.47 -38.38 87.02 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.419 -0.81 . . . . 25.0 109.97 177.689 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.11 93.14 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.14 -0.35 . . . . 25.0 111.062 -179.324 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.3 mp -71.92 -34.05 49.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 120.386 -0.526 . . . . 50.0 109.64 -179.208 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.77 -29.46 66.81 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.524 0.678 . . . . 25.0 109.421 179.644 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.47 -43.26 40.64 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.659 0.742 . . . . 50.0 109.42 177.349 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.5 mtm -62.76 -25.18 68.08 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 116.057 -0.52 . . . . 50.0 112.112 -179.411 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 29.5 p -82.65 -34.16 27.55 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.828 -0.749 . . . . 25.0 110.255 -177.095 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -80.13 -29.52 38.92 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.112 -0.635 . . . . 50.0 110.672 176.404 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -77.88 -28.97 50.04 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 121.618 -0.676 . . . . 50.0 110.607 177.017 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 72.44 24.31 76.49 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.113 -0.565 . . . . 25.0 112.074 -178.044 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -118.38 29.45 7.76 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 122.491 -0.417 . . . . 50.0 111.959 -176.886 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -61.16 124.65 21.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.376 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -84.58 27.15 4.85 Favored Glycine 0 C--O 1.226 -0.385 0 CA-C-O 121.622 0.568 . . . . 25.0 114.214 -178.109 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.206 -1.224 0 CA-C-O 124.36 2.029 . . . . 25.0 111.573 -179.376 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 C--O 1.216 -0.661 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 63.8 t -67.25 -33.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.111 0.482 . . . . 25.0 109.981 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 61.2 m -66.27 -39.51 89.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.857 -0.337 . . . . 25.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.65 -36.12 62.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.711 0.767 . . . . 25.0 109.056 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 61.3 ttp -63.04 -37.23 86.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.739 -0.664 . . . . 25.0 109.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.78 71.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.504 -0.316 . . . . 25.0 110.806 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.69 78.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.01 -43.55 92.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.73 -45.76 85.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.353 . . . . 25.0 110.147 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.44 93.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.693 0.282 . . . . 25.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.19 84.39 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.537 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.85 -42.51 99.78 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.635 0.731 . . . . 25.0 110.328 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.27 -43.05 82.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.082 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -76.15 -32.14 58.94 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.454 -0.898 . . . . 25.0 113.274 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.7 tpp -62.88 -35.11 78.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.045 0.45 . . . . 25.0 110.018 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 73.8 m -57.15 -35.36 69.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.365 0.602 . . . . 25.0 110.169 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -67.02 -42.69 84.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.36 -44.97 93.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.378 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 21.8 m -69.08 -33.68 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--N 1.322 -0.605 0 O-C-N 122.295 -0.253 . . . . 25.0 110.6 177.105 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.322 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -36.8 84.36 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 122.179 -0.325 . . . . 25.0 110.611 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -59.29 -34.74 72.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.48 -0.763 . . . . 25.0 111.08 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.65 -48.5 55.87 Favored Glycine 0 C--O 1.22 -0.742 0 N-CA-C 108.02 -2.032 . . . . 25.0 108.02 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.33 63.19 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -69.33 -41.78 76.19 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.061 -0.399 . . . . 25.0 111.7 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.37 79.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.325 0.583 . . . . 25.0 110.32 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -69.72 -26.46 30.67 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 CA-C-N 116.224 -0.443 . . . . 25.0 110.705 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.9 -30.56 61.79 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.63 91.69 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -36.47 67.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.448 ' HA ' HG12 ' A' ' 476' ' ' VAL . 72.4 mm-40 -65.82 -47.23 75.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -62.67 -28.16 69.74 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.471 -0.492 . . . . 25.0 109.683 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -51.84 16.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.993 -0.549 . . . . 25.0 110.793 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.2 p -63.23 -35.51 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 118.786 0.721 . . . . 25.0 109.596 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -62.1 -36.18 80.95 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.509 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.91 91.74 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.785 -0.366 . . . . 25.0 110.451 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.52 -32.9 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.473 -0.491 . . . . 25.0 109.817 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.12 67.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.35 0.595 . . . . 25.0 109.47 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.35 -42.96 43.08 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 121.42 0.629 . . . . 25.0 109.615 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -63.28 -26.89 68.99 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.874 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 20.0 p -83.79 -33.6 24.93 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.902 -0.719 . . . . 25.0 109.947 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.88 -25.78 43.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.048 -0.661 . . . . 25.0 110.204 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.445 -0.683 0 O-C-N 121.769 -0.582 . . . . 25.0 110.584 175.209 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 . . . . . 0 C--O 1.215 -0.732 0 N-CA-C 110.281 -0.266 . . . . 25.0 110.281 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.35 -34.71 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 122.226 -0.296 . . . . 25.0 110.392 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.1 m -67.8 -40.51 83.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.813 -0.554 . . . . 25.0 109.782 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -70.66 -32.23 69.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.9 mtp -63.52 -40.97 98.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.946 0.403 . . . . 25.0 110.724 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.35 -33.27 73.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.41 0.624 . . . . 25.0 109.969 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.33 -44.76 64.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.312 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.75 -31.54 51.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 C-N-CA 120.908 -0.317 . . . . 25.0 111.032 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -55.55 -44.25 76.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.43 81.46 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 122.202 -0.311 . . . . 25.0 110.925 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.52 93.02 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.673 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -60.65 -46.62 89.63 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.487 0.66 . . . . 25.0 109.433 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 56.7 mt -57.89 -44.66 86.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.444 -0.798 . . . . 25.0 112.046 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -74.76 -32.94 62.2 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 119.404 -0.919 . . . . 25.0 112.398 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 70.2 mtm -67.67 -33.86 75.77 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.491 0.587 . . . . 25.0 110.25 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 89.9 m -56.48 -36.99 69.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -65.4 -40.16 93.08 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 121.565 -0.709 . . . . 25.0 110.412 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -67.81 -44.32 77.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.735 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.78 -32.34 54.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.322 -0.63 0 CA-C-O 120.578 0.228 . . . . 25.0 111.482 177.291 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.467 0.175 . . . . 25.0 110.823 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -37.54 87.52 Favored 'General case' 0 C--O 1.211 -0.935 0 C-N-CA 120.796 -0.362 . . . . 25.0 111.39 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.12 -36.56 73.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 118.93 0.786 . . . . 25.0 110.915 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.11 -49.06 42.92 Favored Glycine 0 C--O 1.219 -0.794 0 N-CA-C 108.689 -1.764 . . . . 25.0 108.689 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.26 67.2 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -71.04 -43.82 67.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.103 0.478 . . . . 25.0 110.603 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.33 95.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.12 -33.84 52.68 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.203 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.729 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.34 75.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.06 0.845 . . . . 25.0 111.226 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.85 88.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.78 67.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.798 -0.183 . . . . 25.0 110.562 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.416 ' HA ' HG12 ' A' ' 476' ' ' VAL . 46.1 mm-40 -65.13 -46.47 80.86 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.015 -0.428 . . . . 25.0 111.789 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -64.67 -27.47 68.95 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 109.548 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -53.18 11.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.628 176.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.5 p -63.25 -36.04 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 118.58 0.627 . . . . 25.0 109.906 -175.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -63.76 -33.63 76.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.525 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.13 99.48 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.652 -0.419 . . . . 25.0 109.996 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.73 -34.1 50.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.9 -26.93 64.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.486 0.66 . . . . 25.0 109.843 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.4 mt -78.24 -42.72 30.3 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.4 mtm -62.53 -26.06 68.37 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 111.892 0.33 . . . . 25.0 111.892 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.6 p -79.3 -35.74 40.71 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.413 -0.915 . . . . 25.0 110.467 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -79.94 -32.9 40.0 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.476 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.329 -0.32 0 N-CA-C 108.925 -0.768 . . . . 25.0 108.925 177.135 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.218 -0.6 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 52.4 t -72.03 -26.28 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.753 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.7 m -67.48 -39.34 85.26 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.577 -0.702 . . . . 25.0 109.538 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -75.84 -31.88 59.54 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.74 -39.28 88.12 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.768 -0.651 . . . . 25.0 109.464 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.25 -32.36 72.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.864 0.364 . . . . 25.0 111.087 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.6 -46.44 59.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.769 0.318 . . . . 25.0 110.614 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.04 -33.12 57.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 C-N-CA 121.112 -0.235 . . . . 25.0 110.438 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.46 -43.53 79.66 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.958 0.408 . . . . 25.0 110.005 175.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.57 87.99 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 122.093 -0.379 . . . . 25.0 110.601 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.78 -42.29 81.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.395 . . . . 25.0 110.278 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -61.85 -43.21 99.32 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.78 -45.79 85.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.128 -0.487 . . . . 25.0 112.098 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.74 -33.61 64.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 119.357 -0.937 . . . . 25.0 111.92 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 72.5 mtm -66.99 -34.63 78.17 Favored 'General case' 0 C--O 1.221 -0.418 0 O-C-N 121.802 -0.561 . . . . 25.0 109.52 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 85.6 m -61.58 -38.56 88.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.64 -38.31 86.64 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.43 -0.582 . . . . 25.0 109.43 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -65.47 -48.54 72.3 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.44 -36.76 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.323 -0.584 0 O-C-N 122.195 -0.315 . . . . 25.0 111.637 178.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.062 -0.347 . . . . 25.0 110.062 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -36.27 82.26 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.645 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -60.44 -36.4 78.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.834 0.743 . . . . 25.0 110.28 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.09 -44.76 65.14 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 109.198 -1.561 . . . . 25.0 109.198 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.43 -39.91 64.75 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 122.843 0.457 . . . . 25.0 112.027 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -65.27 -44.2 88.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.084 0.469 . . . . 25.0 111.433 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.5 75.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.157 0.503 . . . . 25.0 110.9 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.0 m -69.79 -26.71 31.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 CA-C-N 116.551 -0.295 . . . . 25.0 110.925 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.11 -34.27 65.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.034 0.379 . . . . 25.0 111.342 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.23 90.3 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.22 67.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.581 0.229 . . . . 25.0 110.516 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.423 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.6 mm-40 -67.55 -46.7 71.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.018 -0.426 . . . . 25.0 111.987 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -63.89 -27.91 69.48 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.468 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -52.09 19.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.887 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.8 p -63.24 -35.9 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 118.642 0.656 . . . . 25.0 109.798 -176.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.57 -35.22 79.79 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.937 -0.574 . . . . 25.0 110.34 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.9 94.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.569 -0.453 . . . . 25.0 110.203 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.11 -34.52 59.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.73 -26.91 64.41 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.311 0.576 . . . . 25.0 109.843 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.0 mt -80.7 -42.25 22.28 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.281 0.562 . . . . 25.0 109.922 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.1 mtm -61.82 -27.56 68.86 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.565 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.8 p -77.93 -34.07 51.4 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 119.458 -0.897 . . . . 25.0 110.628 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -82.25 -27.7 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.366 -0.534 . . . . 25.0 111.317 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.452 -0.351 0 O-C-N 121.65 -0.656 . . . . 25.0 110.554 177.058 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 . . . . . 0 C--O 1.213 -0.825 0 N-CA-C 109.49 -0.559 . . . . 25.0 109.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.75 -34.21 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.896 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.4 m -68.0 -41.65 81.95 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.003 -0.436 . . . . 25.0 110.388 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -73.69 -31.19 63.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.024 0.44 . . . . 25.0 110.031 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 51.4 ttp -64.86 -42.47 94.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.73 76.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.127 0.489 . . . . 25.0 110.584 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.37 75.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.201 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.6 p -71.55 -33.25 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.911 -0.316 . . . . 25.0 110.6 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -57.64 -47.37 82.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 175.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.59 94.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 25.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.45 92.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 25.0 111.737 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 20.3 pt-20 -72.68 -31.26 64.91 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.304 -0.959 . . . . 25.0 110.479 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.36 -47.95 79.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.4 -0.52 . . . . 25.0 110.048 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -71.29 -33.75 70.0 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 119.905 -0.718 . . . . 25.0 112.873 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 433' ' ' MET . . . . . 0.475 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 21.8 ptp -68.1 -33.14 73.96 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.497 -0.881 . . . . 25.0 109.863 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 79.9 m -65.7 -37.7 87.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.195 0.522 . . . . 25.0 109.668 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -65.15 -37.86 88.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.326 -0.859 . . . . 25.0 109.388 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -66.74 -39.68 88.03 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.2 m -77.02 -24.53 15.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.52 0 N-CA-C 114.127 1.158 . . . . 25.0 114.127 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--N 1.315 -0.9 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 175.34 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 110.432 -0.211 . . . . 25.0 110.432 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -37.64 87.64 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.916 -0.49 . . . . 25.0 109.798 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -65.77 -32.96 74.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.804 -0.56 . . . . 25.0 110.595 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -64.7 -48.8 68.54 Favored Glycine 0 C--O 1.221 -0.678 0 N-CA-C 107.48 -2.248 . . . . 25.0 107.48 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.78 68.56 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.426 0.291 . . . . 25.0 111.698 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -64.29 -46.39 83.83 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.176 0.512 . . . . 25.0 110.602 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.85 73.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.444 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.79 -26.42 32.79 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.83 0 C-N-CA 120.719 -0.392 . . . . 25.0 110.311 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.44 -31.46 65.93 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.253 0.479 . . . . 25.0 111.254 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.14 87.65 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -37.51 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.151 -0.314 . . . . 25.0 110.151 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.443 ' HA ' HG12 ' A' ' 476' ' ' VAL . 67.0 mm-40 -65.67 -47.04 76.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -63.07 -27.9 69.71 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -51.51 16.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.139 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.7 p -63.48 -36.57 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.777 0.717 . . . . 25.0 109.527 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -62.93 -35.9 81.62 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.274 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.58 95.29 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.597 -0.441 . . . . 25.0 110.242 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -71.54 -34.31 52.4 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 O-C-N 122.027 -0.42 . . . . 25.0 109.932 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.67 -26.96 65.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.545 0.688 . . . . 25.0 109.425 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.18 -42.31 23.61 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.6 mtm -61.39 -27.88 68.84 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 120.583 -0.447 . . . . 25.0 112.114 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.7 p -80.72 -35.27 33.71 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.977 -0.689 . . . . 25.0 110.263 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.59 -24.65 39.01 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.31 -0.556 . . . . 25.0 110.374 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 N--CA 1.451 -0.383 0 O-C-N 121.972 -0.455 . . . . 25.0 110.161 176.355 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--O 1.216 -0.664 0 CA-C-O 121.038 0.447 . . . . 25.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 28.0 t -74.16 -29.87 25.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 30.5 m -67.95 -36.68 80.52 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.948 -0.47 . . . . 25.0 109.811 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -74.56 -30.55 61.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.605 0.716 . . . . 25.0 109.58 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.34 -28.99 69.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.191 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.86 74.71 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.988 0.423 . . . . 25.0 110.197 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.52 -36.4 65.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 80.5 t -63.09 -44.66 99.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -56.53 -48.06 78.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.072 0.463 . . . . 25.0 110.819 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.09 97.61 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.465 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.6 -48.1 73.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 25.0 111.997 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.9 -33.06 73.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.588 -0.695 . . . . 25.0 110.23 -177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 35.6 mt -64.24 -46.23 84.68 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.092 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -73.69 -32.31 63.87 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.679 -0.809 . . . . 25.0 111.845 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 51.7 mtm -63.65 -41.74 98.18 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.4 m -57.89 -40.18 79.67 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.269 0.557 . . . . 25.0 110.905 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -64.53 -45.11 88.59 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.41 0.624 . . . . 25.0 109.953 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -64.79 -40.65 95.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.406 -0.815 . . . . 25.0 110.598 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.2 -37.19 72.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 123.983 0.913 . . . . 25.0 111.519 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 122.022 -0.424 . . . . 25.0 111.895 179.563 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 111.441 0.163 . . . . 25.0 111.441 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -34.03 77.33 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.985 -0.447 . . . . 25.0 110.515 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -59.22 -36.29 75.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.164 -0.614 . . . . 25.0 110.017 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.03 -43.07 58.09 Favored Glycine 0 C--O 1.221 -0.683 0 N-CA-C 109.35 -1.5 . . . . 25.0 109.35 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.37 -40.07 64.69 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.85 0.46 . . . . 25.0 111.897 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -64.75 -43.02 94.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.069 0.462 . . . . 25.0 111.97 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.32 68.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.213 0.53 . . . . 25.0 111.009 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.9 m -68.26 -27.28 36.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 116.434 -0.348 . . . . 25.0 110.695 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -54.55 -32.87 59.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 117.739 0.245 . . . . 25.0 111.492 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.61 91.59 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.95 66.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.73 0.3 . . . . 25.0 110.788 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.418 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.3 mm-40 -69.73 -45.65 67.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.085 0.469 . . . . 25.0 111.45 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -64.84 -26.43 68.33 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.96 -0.696 . . . . 25.0 109.392 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -50.63 24.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.582 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 473' ' ' GLN . 9.7 p -63.48 -37.04 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 -177.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -63.37 -36.06 82.45 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.994 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.84 89.51 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.612 -0.435 . . . . 25.0 110.282 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.59 -35.22 65.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.03 -27.71 65.73 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.4 mt -81.23 -43.22 19.55 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.021 0.439 . . . . 25.0 110.568 176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.6 mtm -59.05 -26.43 64.59 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.9 p -77.95 -37.27 47.9 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.062 -1.055 . . . . 25.0 110.038 -176.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -83.71 -24.34 31.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.018 0.377 . . . . 25.0 112.018 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 N--CA 1.45 -0.461 0 CA-C-N 118.213 0.46 . . . . 25.0 111.659 176.889 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.219 -0.507 0 N-CA-C 107.972 -1.121 . . . . 25.0 107.972 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.96 -32.91 60.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.819 -0.628 . . . . 25.0 110.405 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 69.7 m -63.29 -41.65 99.0 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.028 -0.42 . . . . 25.0 111.216 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -75.76 -35.26 60.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.611 0.719 . . . . 25.0 109.635 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.3 ttp -62.92 -36.18 82.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.557 . . . . 25.0 110.4 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.36 -31.17 72.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.899 0.38 . . . . 25.0 110.661 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.35 75.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.25 -44.75 87.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.36 -44.33 88.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.136 0.493 . . . . 25.0 109.949 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.91 87.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.501 -0.318 . . . . 25.0 110.409 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.15 84.35 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.99 -45.68 92.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.469 0.652 . . . . 25.0 109.685 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.94 -38.44 91.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.481 0.658 . . . . 25.0 110.372 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -33.36 68.0 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.024 -0.535 . . . . 25.0 110.869 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.4 mtm -71.6 -39.18 70.67 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.143 -0.973 . . . . 25.0 109.536 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 62.1 m -59.34 -43.09 92.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.665 0.269 . . . . 25.0 111.706 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -66.12 -31.29 72.06 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 119.621 -0.832 . . . . 25.0 110.159 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -72.37 -44.57 62.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.946 1.091 . . . . 25.0 113.946 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.97 -30.76 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 112.937 0.718 . . . . 25.0 112.937 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.385 178.063 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.341 0.115 . . . . 25.0 110.812 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -36.9 85.47 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 120.713 -0.395 . . . . 25.0 111.075 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -62.0 -34.46 76.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.607 -0.683 . . . . 25.0 110.343 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.8 -48.18 62.8 Favored Glycine 0 C--O 1.218 -0.86 0 N-CA-C 108.106 -1.998 . . . . 25.0 108.106 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.72 65.07 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -67.12 -45.62 76.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.23 0.538 . . . . 25.0 111.092 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.28 84.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.011 0.434 . . . . 25.0 110.92 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.44 -31.33 50.84 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 C-N-CA 120.811 -0.355 . . . . 25.0 110.337 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.22 66.7 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.188 0.449 . . . . 25.0 111.547 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.03 89.61 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.938 0.399 . . . . 25.0 109.972 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.78 -34.01 66.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.325 -0.235 . . . . 25.0 110.596 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.44 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.1 mm-40 -68.66 -45.97 70.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.955 -0.466 . . . . 25.0 111.57 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.4 -27.3 69.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -52.32 13.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.774 -0.648 . . . . 25.0 110.783 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.2 p -63.37 -36.7 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 118.694 0.679 . . . . 25.0 109.551 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -63.36 -35.88 81.87 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.987 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.67 87.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.047 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -69.37 -35.81 69.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.55 -0.46 . . . . 25.0 109.769 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.66 -27.14 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.781 -0.451 . . . . 25.0 109.781 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.38 -43.08 19.52 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.905 0.383 . . . . 25.0 111.164 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.6 mtm -59.22 -24.04 62.81 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 115.972 -0.558 . . . . 25.0 112.06 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.2 p -78.74 -31.22 46.21 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.464 -0.894 . . . . 25.0 109.685 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -79.52 -39.86 30.98 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.818 0.818 . . . . 25.0 109.059 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 114.798 -1.092 . . . . 25.0 109.254 176.009 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 . . . . . 0 C--O 1.216 -0.708 0 CA-C-O 120.829 0.347 . . . . 25.0 110.658 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.5 t -74.25 -35.11 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.3 m -68.87 -36.53 78.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.92 0.391 . . . . 25.0 110.189 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.96 -34.59 75.59 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.338 -0.616 . . . . 25.0 109.338 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 35.0 ttm -60.55 -39.33 87.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.122 0.487 . . . . 25.0 110.366 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.77 -30.07 69.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.562 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.75 -36.81 73.3 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.65 -45.14 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.715 -0.846 . . . . 25.0 108.715 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.84 -44.01 90.86 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.99 91.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.338 -0.226 . . . . 25.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.95 87.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.743 0.306 . . . . 25.0 110.766 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.06 -41.63 97.29 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.556 0.693 . . . . 25.0 109.645 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.47 -47.28 82.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.576 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -69.39 -32.22 71.1 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.642 -0.823 . . . . 25.0 111.328 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 64.7 mtm -64.79 -42.2 95.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 46.0 m -62.76 -39.72 95.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.943 0.402 . . . . 25.0 110.343 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -65.37 -41.03 94.23 Favored 'General case' 0 CA--C 1.511 -0.555 0 O-C-N 121.266 -0.896 . . . . 25.0 110.24 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.49 -47.74 84.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.531 -0.759 . . . . 25.0 112.23 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.81 -37.58 79.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.662 -0.415 . . . . 25.0 112.001 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--N 1.323 -0.548 0 O-C-N 122.249 -0.282 . . . . 25.0 111.438 178.609 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.404 0 CA-C-O 119.996 -0.05 . . . . 25.0 111.076 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -36.45 84.15 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 122.041 -0.412 . . . . 25.0 110.531 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -64.16 -35.27 80.22 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.177 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.36 -43.72 77.48 Favored Glycine 0 C--O 1.216 -1.026 0 N-CA-C 108.783 -1.727 . . . . 25.0 108.783 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.77 -35.83 66.68 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 122.671 0.388 . . . . 25.0 111.561 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -72.42 -41.26 66.42 Favored 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.96 89.29 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.188 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.33 -27.91 36.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 N-CA-C 110.234 -0.284 . . . . 25.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.09 -31.41 67.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.233 0.469 . . . . 25.0 111.507 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.02 89.54 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.97 66.97 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 120.643 0.259 . . . . 25.0 110.351 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.453 ' HA ' HG12 ' A' ' 476' ' ' VAL . 68.6 mm-40 -67.15 -46.13 74.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.37 -27.55 69.15 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.27 -52.32 10.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.596 -0.729 . . . . 25.0 111.219 178.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.3 p -63.44 -36.46 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 118.55 0.614 . . . . 25.0 110.263 -175.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -63.57 -33.73 76.24 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.34 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.9 96.17 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.465 -0.494 . . . . 25.0 109.997 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.06 -32.77 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.72 -27.64 65.09 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.34 -43.78 18.56 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.103 0.478 . . . . 25.0 110.088 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.1 mtm -61.03 -26.87 67.92 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 120.886 0.374 . . . . 25.0 111.753 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.1 p -80.23 -33.69 37.83 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 119.684 -0.806 . . . . 25.0 110.567 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -81.7 -27.14 34.1 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.147 -0.621 . . . . 25.0 111.007 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 N--CA 1.449 -0.479 0 O-C-N 121.811 -0.556 . . . . 25.0 110.936 176.485 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.217 -0.626 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 45.1 t -71.55 -30.38 38.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.865 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.8 m -64.66 -41.47 96.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.716 -0.615 . . . . 25.0 109.829 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -74.82 -31.25 61.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.054 -0.521 . . . . 25.0 109.761 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 41.6 ttm -62.12 -44.21 97.13 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.6 -34.58 78.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.021 0.439 . . . . 25.0 110.664 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.17 75.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.511 -0.313 . . . . 25.0 111.223 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.43 -35.49 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.807 0.337 . . . . 25.0 110.516 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -60.36 -42.82 96.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.826 -0.435 . . . . 25.0 109.826 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.79 -37.38 87.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.708 0.29 . . . . 25.0 110.729 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.12 84.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.389 -0.369 . . . . 25.0 110.344 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.47 -42.47 99.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.944 0.878 . . . . 25.0 109.634 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 40.6 mt -59.67 -43.21 94.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.846 . . . . 25.0 111.615 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -73.71 -32.07 63.72 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.611 -0.835 . . . . 25.0 111.932 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.9 tpp -61.66 -38.53 88.07 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 176.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 50.2 m -60.66 -36.77 79.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.303 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -66.39 -44.54 82.77 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.337 -0.986 . . . . 25.0 108.337 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.56 -45.28 92.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.093 -0.958 . . . . 25.0 112.443 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.97 -35.89 66.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 122.188 -0.32 . . . . 25.0 111.366 178.831 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 109.901 -0.407 . . . . 25.0 109.901 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -38.44 84.45 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 120.171 -0.612 . . . . 25.0 110.318 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.56 -35.6 76.43 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.737 -0.602 . . . . 25.0 110.131 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.6 -47.37 62.5 Favored Glycine 0 C--O 1.221 -0.657 0 N-CA-C 109.223 -1.551 . . . . 25.0 109.223 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.31 -39.42 64.02 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.845 0.458 . . . . 25.0 112.125 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -66.18 -44.11 84.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.166 0.508 . . . . 25.0 111.057 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.81 69.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.006 0.431 . . . . 25.0 111.601 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 24.0 m -66.49 -26.58 37.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 116.636 -0.256 . . . . 25.0 110.403 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.11 61.17 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.355 -0.215 . . . . 25.0 111.489 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.19 -37.71 84.13 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.88 0.371 . . . . 25.0 110.108 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.77 -31.77 65.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.662 0.268 . . . . 25.0 110.756 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.446 ' HA ' HG12 ' A' ' 476' ' ' VAL . 47.2 mm-40 -72.02 -45.76 59.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.384 0.612 . . . . 25.0 111.772 -176.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -63.22 -27.55 69.43 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.17 -52.71 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.001 -0.545 . . . . 25.0 111.16 177.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.7 p -62.74 -36.21 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 118.735 0.698 . . . . 25.0 109.72 -175.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -62.79 -36.61 83.69 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.884 -0.598 . . . . 25.0 110.408 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.23 91.07 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.699 -0.401 . . . . 25.0 110.479 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -71.54 -35.29 55.87 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 C-N-CA 120.397 -0.521 . . . . 25.0 109.84 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.6 66.29 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.441 0.638 . . . . 25.0 110.054 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.49 -41.8 38.08 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 121.321 0.582 . . . . 25.0 109.867 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.0 mtm -62.91 -28.29 69.95 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 116.189 -0.46 . . . . 25.0 111.601 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.3 p -80.39 -34.76 36.08 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.671 -0.811 . . . . 25.0 110.114 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -81.47 -23.56 37.34 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.977 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 N--CA 1.453 -0.289 0 O-C-N 121.669 -0.644 . . . . 25.0 110.924 176.462 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 . . . . . 0 C--O 1.213 -0.858 0 CA-C-O 121.25 0.547 . . . . 25.0 110.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.8 -36.08 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.9 m -68.67 -40.55 80.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.66 0.267 . . . . 25.0 110.636 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -70.57 -34.67 72.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.5 ttp -66.54 -31.82 72.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.953 0.406 . . . . 25.0 109.939 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.81 69.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.925 -0.484 . . . . 25.0 109.737 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.45 -34.96 70.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.03 -44.03 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.1 -44.9 92.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.689 -0.485 . . . . 25.0 109.689 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.34 91.53 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.181 -0.324 . . . . 25.0 110.46 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.26 -44.77 87.05 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.553 -0.294 . . . . 25.0 110.219 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.86 -45.4 94.66 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 121.606 0.717 . . . . 25.0 109.512 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.5 -44.16 97.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.643 -0.708 . . . . 25.0 111.622 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -75.74 -35.28 60.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.338 -0.945 . . . . 25.0 112.784 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 67.6 mtm -62.48 -38.77 91.13 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 118.34 0.518 . . . . 25.0 110.17 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.0 m -53.03 -35.34 59.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.543 0.687 . . . . 25.0 110.718 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -66.98 -38.34 85.86 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.767 -0.583 . . . . 25.0 112.328 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -76.96 -39.03 52.05 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.55 -40.21 67.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 123.39 0.676 . . . . 25.0 111.599 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 179.746 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.912 -0.403 . . . . 25.0 109.912 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -38.57 86.49 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-O 119.116 -0.468 . . . . 25.0 110.906 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -54.97 -39.52 69.07 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.1 0.863 . . . . 25.0 110.44 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.87 -50.02 25.95 Favored Glycine 0 C--O 1.218 -0.883 0 N-CA-C 109.895 -1.282 . . . . 25.0 109.895 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.21 66.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -71.61 -43.18 66.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.05 0.452 . . . . 25.0 110.109 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.26 87.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.939 0.4 . . . . 25.0 110.142 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.2 m -70.44 -28.68 35.9 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.297 0 C-N-CA 120.464 -0.494 . . . . 25.0 110.402 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.26 -36.16 72.82 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.028 0.831 . . . . 25.0 110.693 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.37 87.38 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.78 65.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.631 -0.259 . . . . 25.0 110.96 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.468 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.6 mm-40 -71.1 -45.81 62.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.88 -0.512 . . . . 25.0 111.352 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -63.29 -27.7 69.51 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.26 -52.44 13.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.946 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.8 p -63.4 -35.32 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 O-C-N 121.627 -0.671 . . . . 25.0 109.46 -176.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -62.68 -36.77 83.97 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.233 -0.44 . . . . 25.0 110.553 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.3 96.52 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.571 -0.451 . . . . 25.0 109.821 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.3 mt -72.17 -34.46 49.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.35 -26.98 65.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.364 0.602 . . . . 25.0 109.75 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.8 mt -77.05 -43.1 35.75 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.7 mtm -62.32 -28.93 70.09 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 122.099 -0.376 . . . . 25.0 111.298 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.5 p -80.31 -12.34 59.61 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.296 -0.562 . . . . 25.0 112.074 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -108.97 -33.64 6.85 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 111.768 0.285 . . . . 25.0 111.768 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.45 -0.456 0 O-C-N 121.614 -0.679 . . . . 25.0 110.135 178.163 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 . . . . . 0 C--O 1.212 -0.894 0 CA-C-O 120.474 0.178 . . . . 25.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 63.4 t -72.66 -35.17 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 108.624 -0.88 . . . . 25.0 108.624 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.0 m -68.03 -39.67 83.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -68.14 -37.54 81.18 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 57.7 ttp -65.2 -32.44 74.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.174 -0.466 . . . . 25.0 111.129 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.59 -32.78 74.35 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.208 0.528 . . . . 25.0 110.029 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.81 65.56 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.41 -44.0 97.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.445 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 177.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.86 -43.71 81.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.711 0.291 . . . . 25.0 110.823 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.78 99.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.76 -0.376 . . . . 25.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.18 85.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.785 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.36 -41.95 98.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 32.2 mt -61.22 -43.6 98.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.2 0.445 . . . . 25.0 112.2 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.9 -35.61 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.843 -0.743 . . . . 25.0 111.073 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.3 mtm -64.1 -37.73 88.49 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.827 -0.545 . . . . 25.0 109.706 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 83.7 m -58.23 -37.27 74.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.955 0.407 . . . . 25.0 110.344 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -66.17 -46.29 77.88 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.308 -0.87 . . . . 25.0 109.319 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.24 -42.94 99.27 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.21 -38.06 80.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.554 -0.458 . . . . 25.0 112.115 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 121.992 -0.442 . . . . 25.0 110.796 178.684 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 120.499 0.19 . . . . 25.0 110.502 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -40.37 90.86 Favored 'General case' 0 C--O 1.212 -0.879 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.692 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.0 -33.35 75.54 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.569 -0.707 . . . . 25.0 111.091 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.24 -48.15 66.54 Favored Glycine 0 C--O 1.22 -0.771 0 N-CA-C 107.731 -2.148 . . . . 25.0 107.731 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.73 -38.39 72.3 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 116.613 0.206 . . . . 25.0 111.311 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -66.5 -45.33 79.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.098 0.475 . . . . 25.0 110.672 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.27 87.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.203 0.525 . . . . 25.0 110.409 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.0 m -70.33 -29.06 37.63 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 C-N-CA 120.014 -0.674 . . . . 25.0 110.737 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.84 -35.25 72.61 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.845 0.748 . . . . 25.0 110.471 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.0 89.52 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.26 67.43 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 122.248 -0.283 . . . . 25.0 110.939 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.463 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.7 mm-40 -69.08 -45.55 70.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.615 -0.678 . . . . 25.0 112.673 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 12.4 ptm85 -62.1 -27.82 69.19 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.8 tp -76.25 -52.98 8.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.579 -0.737 . . . . 25.0 111.595 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 473' ' ' GLN . 8.4 p -63.88 -37.97 81.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.827 -0.546 . . . . 25.0 110.006 -175.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -64.34 -35.56 81.29 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.41 97.41 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.695 -0.628 . . . . 25.0 109.886 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.4 -36.56 67.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.18 -27.13 65.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.201 0.524 . . . . 25.0 109.839 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.13 -39.95 28.42 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.0 mtm -62.59 -29.08 70.33 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.698 -0.626 . . . . 25.0 111.294 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.5 p -81.61 -15.72 53.79 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.389 -0.524 . . . . 25.0 112.17 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.21 -26.21 13.07 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.037 -0.265 . . . . 25.0 110.994 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.333 -0.147 0 O-C-N 121.868 -0.52 . . . . 25.0 111.682 177.629 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 C--O 1.216 -0.666 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.18 -28.01 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.196 0.522 . . . . 25.0 109.946 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 34.5 m -68.51 -39.7 81.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -75.15 -29.18 60.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.857 -0.423 . . . . 25.0 109.857 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 55.2 ttm -59.91 -40.89 90.36 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.295 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.02 77.42 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.255 0.55 . . . . 25.0 111.131 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.73 -45.41 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.887 0.375 . . . . 25.0 111.134 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.86 -34.54 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.55 -0.296 . . . . 25.0 110.619 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -47.32 75.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.254 0.549 . . . . 25.0 109.929 176.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.58 91.27 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 122.067 -0.395 . . . . 25.0 110.258 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.82 72.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.027 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.8 -33.46 68.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.665 -0.647 . . . . 25.0 110.543 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.84 -42.4 98.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 176.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.01 -32.24 61.57 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 40.9 mtm -63.54 -37.11 86.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 118.336 0.516 . . . . 25.0 110.384 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 57.8 m -56.18 -33.12 64.97 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.917 0.865 . . . . 25.0 110.608 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -70.97 -42.67 69.42 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.707 -0.621 . . . . 25.0 109.813 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -64.95 -39.97 94.3 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.4 t -59.66 -40.2 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.0 -1.0 . . . . 25.0 111.019 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 56.7 mt . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 179.195 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 120.363 0.125 . . . . 25.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -35.19 79.9 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.394 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.28 -32.59 74.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.629 -0.669 . . . . 25.0 110.323 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.33 -44.17 91.2 Favored Glycine 0 C--O 1.22 -0.778 0 N-CA-C 107.935 -2.066 . . . . 25.0 107.935 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.59 -39.42 67.82 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 122.584 0.353 . . . . 25.0 111.589 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -66.72 -43.26 84.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.107 0.48 . . . . 25.0 111.59 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.2 79.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.256 0.551 . . . . 25.0 111.064 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.4 m -68.08 -27.94 39.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.485 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.89 -30.46 61.6 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.598 0.221 . . . . 25.0 111.598 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.93 92.84 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.3 66.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.772 0.32 . . . . 25.0 110.432 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.415 ' HA ' HG12 ' A' ' 476' ' ' VAL . 56.8 mm-40 -68.28 -45.47 72.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.957 0.408 . . . . 25.0 111.779 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -65.02 -26.81 68.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.469 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -51.05 23.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.98 -0.554 . . . . 25.0 110.514 177.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.7 p -63.4 -36.82 77.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.493 0.663 . . . . 25.0 109.327 -176.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -63.54 -35.8 81.68 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.98 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.67 -45.66 88.89 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.328 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -69.6 -35.47 66.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.4 -27.24 65.82 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.4 0.619 . . . . 25.0 109.426 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.39 -42.48 20.39 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-O 120.978 0.418 . . . . 25.0 110.496 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.4 mtm -59.35 -26.95 65.48 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.6 p -77.46 -37.6 51.12 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.083 -1.047 . . . . 25.0 110.042 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -83.19 -24.18 32.55 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.104 -0.239 . . . . 25.0 111.584 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.448 -0.535 0 O-C-N 121.693 -0.63 . . . . 25.0 111.687 177.11 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--O 1.212 -0.878 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 27.7 t -71.88 -33.45 47.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.126 -1.065 . . . . 25.0 108.126 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -69.06 -36.73 78.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -68.12 -36.45 79.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.0 tpp -63.82 -40.1 95.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.198 0.523 . . . . 25.0 109.865 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.78 -32.19 73.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.793 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.15 -37.52 81.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.71 -45.98 86.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.96 -43.58 94.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.963 0.411 . . . . 25.0 110.132 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.53 91.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.243 -0.286 . . . . 25.0 110.722 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.57 97.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.698 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.7 -41.66 87.65 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.59 0.71 . . . . 25.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.86 -44.04 97.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.262 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -78.61 -31.74 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.875 1.806 . . . . 25.0 115.875 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 20.9 ptp -62.33 -31.8 72.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 119.226 0.921 . . . . 25.0 110.206 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 24.5 m -64.66 -31.35 72.54 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.922 -0.581 . . . . 25.0 109.883 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -69.46 -39.65 77.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.423 -0.798 . . . . 25.0 109.071 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -64.21 -44.44 91.9 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.898 -0.321 . . . . 25.0 111.51 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 21.8 m -67.86 -34.23 66.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.526 0.565 . . . . 25.0 112.526 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 112.528 0.566 . . . . 25.0 112.528 179.093 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.582 0.23 . . . . 25.0 111.125 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -33.58 76.14 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 122.219 -0.301 . . . . 25.0 111.151 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -59.29 -36.52 75.72 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.993 -0.683 . . . . 25.0 110.333 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.95 -45.52 50.67 Favored Glycine 0 C--O 1.218 -0.853 0 N-CA-C 108.885 -1.686 . . . . 25.0 108.885 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.1 67.04 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 111.927 0.343 . . . . 25.0 111.927 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -67.3 -43.77 80.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.056 0.455 . . . . 25.0 111.368 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.32 87.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.135 0.493 . . . . 25.0 110.275 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.21 -27.5 29.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 C-N-CA 120.907 -0.317 . . . . 25.0 110.84 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.94 68.44 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.225 0.466 . . . . 25.0 111.277 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.15 90.03 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.77 -35.93 67.55 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 120.621 0.248 . . . . 25.0 110.623 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.423 ' HA ' HG12 ' A' ' 476' ' ' VAL . 58.8 mm-40 -67.53 -46.42 72.88 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -64.0 -27.69 69.3 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.43 -52.58 15.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.108 176.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.5 p -63.36 -36.43 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 118.684 0.675 . . . . 25.0 109.846 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -63.6 -34.96 78.99 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.067 -0.515 . . . . 25.0 110.298 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.34 97.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.216 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.62 -34.62 57.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.33 -27.05 63.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.373 0.606 . . . . 25.0 109.726 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.05 -41.32 22.81 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.25 0.548 . . . . 25.0 110.245 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.5 mtm -62.56 -28.18 69.69 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.475 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 37.9 p -76.8 -37.49 55.68 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 119.167 -1.013 . . . . 25.0 110.073 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -77.89 -28.49 49.89 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.423 -0.511 . . . . 25.0 110.01 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.331 -0.201 0 N-CA-C 108.82 -0.808 . . . . 25.0 108.82 175.039 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--O 1.211 -0.922 0 CA-C-O 121.099 0.476 . . . . 25.0 110.911 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.29 -33.41 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.052 0.453 . . . . 25.0 110.169 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.7 m -67.26 -39.23 86.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.853 -0.339 . . . . 25.0 110.305 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.4 -34.18 65.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.401 0.619 . . . . 25.0 109.654 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 45.9 ttm -58.83 -34.33 71.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.999 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.95 82.27 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.888 0.375 . . . . 25.0 110.205 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.89 -38.99 66.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.21 -45.83 97.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -62.4 -39.36 92.99 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.056 -0.403 . . . . 25.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.57 91.55 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.51 90.8 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.453 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.34 -43.91 92.7 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 122.235 1.017 . . . . 25.0 109.43 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 67.6 mt -61.25 -44.52 97.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.49 -1.232 . . . . 25.0 112.053 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -73.67 -32.14 63.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.778 0.717 . . . . 25.0 111.803 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 3.9 tpp -63.4 -37.8 88.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 54.9 m -60.45 -36.25 77.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -67.4 -44.25 79.29 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -62.31 -43.27 99.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.23 -38.36 79.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.575 -0.45 . . . . 25.0 111.467 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 122.019 -0.426 . . . . 25.0 110.561 178.571 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 120.473 0.177 . . . . 25.0 110.608 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -37.19 84.33 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 120.794 -0.362 . . . . 25.0 110.843 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -59.97 -35.13 74.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.494 0.588 . . . . 25.0 110.422 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.46 -49.48 50.78 Favored Glycine 0 C--O 1.214 -1.113 0 N-CA-C 108.103 -1.999 . . . . 25.0 108.103 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.53 64.41 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -74.13 -43.48 57.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.017 0.437 . . . . 25.0 110.739 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.13 99.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.189 0.519 . . . . 25.0 109.958 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.8 m -70.07 -31.42 47.59 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.322 0 C-N-CA 120.37 -0.532 . . . . 25.0 109.982 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.9 76.44 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.876 0.762 . . . . 25.0 111.019 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.05 85.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -71.98 -31.7 66.51 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.693 -0.23 . . . . 25.0 111.148 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.4 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.6 mm-40 -71.52 -44.76 64.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.924 -0.485 . . . . 25.0 110.676 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -65.47 -28.5 69.25 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.79 -51.91 29.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.158 -0.474 . . . . 25.0 110.635 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.1 p -62.99 -35.52 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.366 0.603 . . . . 25.0 109.51 -176.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -62.84 -37.06 85.31 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.795 -0.639 . . . . 25.0 110.433 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.88 87.91 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.187 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.09 -35.22 67.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.33 -27.52 64.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.11 -43.43 19.44 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 120.984 0.421 . . . . 25.0 110.786 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 40.4 mtm -59.77 -24.63 64.24 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 115.934 -0.575 . . . . 25.0 112.158 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.1 p -78.8 -23.8 44.94 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.268 -0.973 . . . . 25.0 109.978 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -89.84 -43.72 10.43 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.978 -0.556 . . . . 25.0 110.74 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.748 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 C--O 1.215 -0.752 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.66 -35.87 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.172 0.511 . . . . 25.0 110.086 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 60.4 m -65.39 -40.78 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.038 -0.414 . . . . 25.0 110.026 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.52 -35.73 73.35 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 49.8 ttm -59.85 -40.6 89.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.924 0.392 . . . . 25.0 110.851 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.2 -33.41 75.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.214 0.53 . . . . 25.0 110.149 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.36 -36.74 71.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 87.8 t -64.54 -45.58 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 178.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -57.87 -47.25 83.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.327 0.584 . . . . 25.0 110.206 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.39 96.21 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 122.128 -0.357 . . . . 25.0 110.571 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.39 79.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.124 -0.489 . . . . 25.0 112.031 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -68.99 -34.78 75.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.758 -0.777 . . . . 25.0 110.333 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.46 -44.67 93.81 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.796 -0.446 . . . . 25.0 109.796 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -73.88 -32.12 63.46 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.186 -1.006 . . . . 25.0 113.259 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 56.5 mtm -65.4 -33.81 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.507 0.594 . . . . 25.0 109.673 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.6 m -59.35 -36.66 76.13 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -67.35 -40.19 85.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.455 -0.778 . . . . 25.0 109.769 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -64.29 -44.13 92.64 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.607 -0.437 . . . . 25.0 111.786 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.97 -32.19 53.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 111.699 0.259 . . . . 25.0 111.699 177.036 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -38.96 92.84 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 110.197 -0.297 . . . . 25.0 110.197 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -59.76 -34.9 73.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 119.175 0.898 . . . . 25.0 110.558 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.89 -49.41 42.11 Favored Glycine 0 C--O 1.215 -1.055 0 N-CA-C 109.441 -1.464 . . . . 25.0 109.441 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.21 -36.74 66.27 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -76.79 -36.95 56.63 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.04 82.26 Favored 'General case' 0 C--N 1.311 -1.073 0 O-C-N 124.505 1.128 . . . . 25.0 110.298 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 24.2 m -69.09 -30.1 45.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.113 -0.494 . . . . 25.0 110.32 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.56 -34.2 64.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.196 0.453 . . . . 25.0 111.414 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.56 87.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.81 0.338 . . . . 25.0 110.221 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.66 -34.56 67.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.65 -0.25 . . . . 25.0 110.785 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.443 ' HA ' HG12 ' A' ' 476' ' ' VAL . 39.0 mm-40 -68.43 -45.77 71.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.008 0.432 . . . . 25.0 111.729 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -63.49 -26.58 68.78 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.76 -51.4 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.726 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.3 p -63.5 -36.93 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 118.718 0.69 . . . . 25.0 109.492 -176.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -63.49 -35.2 79.67 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.848 -0.615 . . . . 25.0 110.091 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.22 92.7 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.519 -0.472 . . . . 25.0 110.183 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.04 -34.87 61.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.91 64.39 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.439 0.637 . . . . 25.0 109.67 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.35 -42.33 20.69 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.361 0.6 . . . . 25.0 110.383 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.3 mtm -61.13 -26.56 67.76 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-N 116.139 -0.482 . . . . 25.0 111.584 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.1 p -77.47 -37.13 52.0 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 119.323 -0.951 . . . . 25.0 110.325 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -79.17 -27.6 42.69 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.475 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 N--CA 1.445 -0.685 0 O-C-N 121.746 -0.596 . . . . 25.0 110.083 175.248 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 . . . . . 0 C--O 1.21 -1.003 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.3 -32.25 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.27 0.557 . . . . 25.0 109.609 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 44.0 m -70.9 -38.7 73.0 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.724 -0.391 . . . . 25.0 110.516 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -72.65 -32.9 66.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.613 0.72 . . . . 25.0 109.613 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.6 mtp -60.44 -41.49 94.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.117 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.33 -32.99 74.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.981 0.419 . . . . 25.0 110.686 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.81 60.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.48 -0.327 . . . . 25.0 110.923 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.07 -35.51 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 121.01 -0.276 . . . . 25.0 110.459 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.13 -43.51 82.44 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.3 88.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.934 -0.306 . . . . 25.0 110.712 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.89 79.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.713 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.13 -44.15 89.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.194 0.521 . . . . 25.0 109.786 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.85 -40.75 96.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.029 -0.532 . . . . 25.0 111.504 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -73.77 -29.24 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.576 -0.85 . . . . 25.0 111.623 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 27.9 mtm -63.49 -37.57 87.79 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.088 -0.383 . . . . 25.0 110.769 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 4.3 m -57.93 -31.88 67.25 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.022 0.915 . . . . 25.0 110.761 176.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -72.01 -36.77 69.81 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.821 -0.549 . . . . 25.0 110.377 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -66.49 -41.62 88.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.92 -40.1 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.905 -1.043 . . . . 25.0 110.965 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 113.041 0.756 . . . . 25.0 113.041 178.485 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 110.163 -0.31 . . . . 25.0 110.163 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -32.04 73.53 Favored 'General case' 0 C--O 1.213 -0.85 0 O-C-N 121.996 -0.44 . . . . 25.0 110.335 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -61.58 -30.02 70.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.589 -0.694 . . . . 25.0 111.147 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.85 -42.8 37.05 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 107.652 -2.179 . . . . 25.0 107.652 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.6 68.82 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 120.889 0.376 . . . . 25.0 111.165 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.0 -43.11 83.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.038 0.447 . . . . 25.0 111.272 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.25 85.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.875 0.369 . . . . 25.0 110.14 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 14.1 m -68.84 -31.21 49.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.91 67.61 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 118.279 0.491 . . . . 25.0 111.718 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.93 88.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.85 65.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.82 0.343 . . . . 25.0 110.441 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.439 ' HA ' HG12 ' A' ' 476' ' ' VAL . 37.6 mm-40 -68.97 -44.49 72.82 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 -177.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 46.3 ptt85 -64.42 -28.75 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.71 -53.37 11.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.352 -0.84 . . . . 25.0 110.856 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -62.58 -36.73 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 118.599 0.636 . . . . 25.0 109.524 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -63.43 -36.53 84.03 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.175 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.98 91.03 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.506 -0.478 . . . . 25.0 110.198 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.13 -33.26 41.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.374 -0.53 . . . . 25.0 109.914 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.02 -29.53 67.33 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.3 -44.8 35.38 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 109.616 -0.513 . . . . 25.0 109.616 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 41.1 mtm -62.11 -31.37 71.82 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.362 0.601 . . . . 25.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 29.7 p -80.22 -31.33 38.64 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.408 -0.917 . . . . 25.0 110.006 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -79.95 -30.92 39.98 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 119.578 -0.849 . . . . 25.0 110.543 175.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 118.682 0.674 . . . . 25.0 109.633 177.456 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 C--O 1.208 -1.127 0 CA-C-O 121.039 0.447 . . . . 25.0 110.053 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 18.3 t -71.8 -36.04 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 57.6 m -65.6 -38.33 89.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.443 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.38 -36.21 68.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.359 0.599 . . . . 25.0 109.461 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 44.1 ttm -60.39 -38.27 83.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.139 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.46 74.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 25.0 110.685 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.14 70.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.89 -42.89 92.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -59.44 -42.93 93.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 25.0 110.205 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.46 94.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.407 -0.22 . . . . 25.0 110.407 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.11 97.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.681 -0.236 . . . . 25.0 110.948 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.1 -44.58 96.34 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.679 0.752 . . . . 25.0 109.511 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.77 -41.48 99.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.684 -0.689 . . . . 25.0 112.41 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -75.8 -32.17 59.75 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 119.631 -0.828 . . . . 25.0 111.627 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 59.0 mtm -65.32 -33.3 75.66 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.103 -0.373 . . . . 25.0 110.167 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.7 m -56.85 -38.21 72.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.335 0.588 . . . . 25.0 109.582 176.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -67.9 -36.2 79.8 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.421 -0.799 . . . . 25.0 110.575 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -66.46 -44.12 83.63 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.796 -0.362 . . . . 25.0 110.779 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 20.6 m -69.33 -31.59 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--N 1.323 -0.567 0 N-CA-C 109.165 -0.68 . . . . 25.0 109.165 177.01 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -39.97 94.08 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.699 -0.401 . . . . 25.0 110.335 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -62.76 -34.43 77.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 118.749 0.704 . . . . 25.0 111.096 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.41 -47.93 67.02 Favored Glycine 0 C--O 1.22 -0.748 0 N-CA-C 108.29 -1.924 . . . . 25.0 108.29 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.26 -39.54 69.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.643 0.258 . . . . 25.0 111.299 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -65.46 -44.71 86.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.999 0.428 . . . . 25.0 110.853 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.91 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.06 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.6 m -70.36 -27.18 30.83 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 C-N-CA 120.444 -0.503 . . . . 25.0 110.695 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.77 70.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.503 0.592 . . . . 25.0 110.359 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.57 84.01 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.1 66.64 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 120.563 0.221 . . . . 25.0 111.028 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.427 ' HA ' HG12 ' A' ' 476' ' ' VAL . 36.8 mm-40 -68.91 -45.23 71.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.884 -0.51 . . . . 25.0 111.722 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.07 -26.7 68.67 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.3 tp -74.57 -51.16 15.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.62 -0.718 . . . . 25.0 111.375 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.3 p -63.26 -36.85 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 118.616 0.643 . . . . 25.0 109.495 -176.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -64.8 -34.69 78.95 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.707 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.7 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.773 -0.58 . . . . 25.0 110.088 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.64 -34.83 58.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.95 -26.56 64.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.349 0.595 . . . . 25.0 109.476 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -80.81 -42.21 22.05 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 109.669 -0.493 . . . . 25.0 109.669 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.6 mtm -60.94 -30.76 70.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.8 0.333 . . . . 25.0 111.458 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 32.8 p -75.33 -36.87 61.0 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.655 -0.818 . . . . 25.0 109.889 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -82.65 -26.46 32.13 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.479 -0.488 . . . . 25.0 111.355 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.222 -0.363 0 CA-C-N 118.901 0.773 . . . . 25.0 110.309 178.192 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 . . . . . 0 C--O 1.215 -0.727 0 CA-C-O 120.575 0.226 . . . . 25.0 111.421 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 48.9 t -74.24 -32.9 33.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.5 m -68.37 -38.44 81.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -70.02 -33.32 71.86 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.252 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 42.0 ttm -62.37 -37.14 84.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.732 0.301 . . . . 25.0 110.601 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.96 -34.05 77.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.44 -36.0 73.7 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.81 -44.33 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -60.78 -43.71 97.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.143 0.497 . . . . 25.0 109.8 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.22 91.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.746 -0.596 . . . . 25.0 110.55 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.73 79.57 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.787 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.66 -31.08 71.53 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.031 -0.668 . . . . 25.0 110.532 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.36 -45.64 83.33 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.057 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -73.7 -30.3 62.77 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.776 -0.77 . . . . 25.0 111.0 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 5.4 tpp -59.41 -44.48 92.82 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 56.6 m -60.16 -40.71 90.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.304 0.574 . . . . 25.0 111.081 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.33 -43.56 98.54 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.474 0.654 . . . . 25.0 109.923 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.48 -43.69 84.72 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.041 -0.981 . . . . 25.0 110.943 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.01 -37.18 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 124.29 1.036 . . . . 25.0 112.797 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -179.521 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.19 -0.3 . . . . 25.0 110.19 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -37.65 85.44 Favored 'General case' 0 C--O 1.214 -0.809 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.569 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.54 -36.68 76.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.327 0.512 . . . . 25.0 110.059 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.56 -48.81 54.73 Favored Glycine 0 C--O 1.218 -0.898 0 N-CA-C 108.712 -1.755 . . . . 25.0 108.712 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.83 -37.84 64.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -71.21 -41.79 69.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.07 0.462 . . . . 25.0 110.952 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.03 81.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.167 0.508 . . . . 25.0 110.57 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.17 -26.55 32.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.523 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.64 -33.82 66.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.143 0.429 . . . . 25.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.33 90.56 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.802 -0.444 . . . . 25.0 109.802 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.79 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.65 -0.25 . . . . 25.0 110.719 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.453 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.8 mm-40 -70.79 -46.05 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.974 -0.454 . . . . 25.0 111.693 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.19 -27.66 69.51 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.17 -52.27 14.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.775 -0.648 . . . . 25.0 111.052 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.8 p -63.2 -36.23 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.754 0.706 . . . . 25.0 109.617 -176.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.79 -35.2 79.83 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.277 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.18 97.7 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.539 -0.464 . . . . 25.0 110.129 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.9 -34.26 55.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.93 63.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.407 0.623 . . . . 25.0 109.734 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.3 mt -80.35 -42.34 23.08 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 121.131 0.491 . . . . 25.0 109.931 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.2 mtm -62.44 -27.6 69.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.972 0.415 . . . . 25.0 111.685 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.4 p -77.37 -33.17 55.29 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.441 -0.903 . . . . 25.0 110.556 -175.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.58 -35.33 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.48 -0.488 . . . . 25.0 110.181 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.22 -0.483 0 O-C-N 121.948 -0.47 . . . . 25.0 110.368 178.559 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 . . . . . 0 C--O 1.212 -0.883 0 CA-C-O 120.458 0.17 . . . . 25.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.52 -33.42 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.985 -0.447 . . . . 25.0 109.9 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 36.6 m -69.17 -36.9 77.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.819 -0.551 . . . . 25.0 110.882 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.22 -31.25 60.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 55.0 ttp -63.38 -42.49 98.85 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.2 -32.56 74.31 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.236 0.541 . . . . 25.0 110.726 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.78 -46.23 63.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.743 0.306 . . . . 25.0 111.166 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.95 -33.08 53.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 122.387 -0.195 . . . . 25.0 110.755 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -57.2 -45.68 83.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.35 85.28 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.815 -0.553 . . . . 25.0 110.486 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.81 79.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.081 -0.508 . . . . 25.0 111.823 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.7 -31.61 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.585 -0.697 . . . . 25.0 109.668 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.59 -43.64 98.3 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.641 -0.424 . . . . 25.0 109.858 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -73.7 -32.48 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.219 -0.992 . . . . 25.0 112.474 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 50.5 mtm -66.62 -33.97 76.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.228 0.467 . . . . 25.0 110.315 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.8 m -58.56 -36.68 74.28 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -65.84 -41.39 91.81 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.547 -0.72 . . . . 25.0 109.83 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -63.39 -44.94 93.25 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.726 -0.39 . . . . 25.0 111.555 -178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.2 m -70.29 -34.68 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 73.4 mt . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 177.846 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -37.27 85.84 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.869 -0.333 . . . . 25.0 110.593 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.91 -32.39 72.78 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.725 -0.609 . . . . 25.0 111.004 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.07 -47.04 76.48 Favored Glycine 0 C--O 1.22 -0.726 0 N-CA-C 107.968 -2.053 . . . . 25.0 107.968 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.37 -39.03 63.89 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.994 0.426 . . . . 25.0 112.137 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -67.44 -42.29 83.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.11 0.481 . . . . 25.0 111.893 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.18 72.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.191 0.52 . . . . 25.0 111.265 -177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 23.0 m -67.95 -26.7 35.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 CA-C-N 116.187 -0.46 . . . . 25.0 111.136 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -51.25 -38.07 50.57 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.1 -36.75 85.03 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.955 0.407 . . . . 25.0 110.752 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -31.8 65.3 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.214 -0.304 . . . . 25.0 110.259 176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.459 ' HA ' HG12 ' A' ' 476' ' ' VAL . 60.8 mm-40 -71.23 -46.13 61.75 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 122.178 -0.326 . . . . 25.0 111.682 -177.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -61.32 -29.84 70.13 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -51.37 21.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.492 . . . . 25.0 110.497 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.8 p -64.58 -35.62 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -63.59 -36.81 85.02 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.284 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.56 83.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.41 -34.5 66.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.88 -30.19 68.84 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.73 -42.8 27.28 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 120.811 0.339 . . . . 25.0 110.958 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 30.6 mtm -58.25 -24.95 61.02 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.168 0.509 . . . . 25.0 111.709 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 42.6 p -82.3 -20.17 37.96 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.439 -0.904 . . . . 25.0 110.994 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -89.29 -35.15 16.3 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.324 -0.542 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 173.303 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.22 -0.478 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.29 -34.51 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.9 m -66.48 -43.84 84.32 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.171 -0.33 . . . . 25.0 110.969 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -71.92 -34.24 68.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.03 0.443 . . . . 25.0 109.928 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttp -64.83 -39.14 93.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.115 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -69.74 -35.12 74.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.103 0.478 . . . . 25.0 110.307 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -66.51 -46.49 76.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.268 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.48 -36.79 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 121.002 -0.279 . . . . 25.0 110.473 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -58.1 -47.17 84.04 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.76 90.83 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.183 -0.323 . . . . 25.0 110.905 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.34 72.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.847 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.92 -31.17 67.72 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.75 -0.78 . . . . 25.0 110.412 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.8 -44.67 96.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.083 -0.247 . . . . 25.0 110.415 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -73.74 -37.83 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.558 -0.857 . . . . 25.0 111.596 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 60.3 mtm -61.26 -40.76 95.29 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 121.957 -0.465 . . . . 25.0 111.409 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 64.8 m -56.76 -35.65 68.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.254 0.549 . . . . 25.0 111.504 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -68.63 -47.57 66.28 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.74 -0.6 . . . . 25.0 109.876 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -39.34 94.31 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.37 -49.21 84.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.447 -0.797 . . . . 25.0 110.654 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--N 1.322 -0.6 0 O-C-N 122.044 -0.41 . . . . 25.0 111.303 -179.666 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -37.21 84.28 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 120.739 -0.384 . . . . 25.0 110.353 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -59.66 -34.76 73.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 118.854 0.752 . . . . 25.0 110.721 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.68 -48.62 54.99 Favored Glycine 0 C--O 1.216 -0.999 0 N-CA-C 108.343 -1.903 . . . . 25.0 108.343 176.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.78 -37.06 65.57 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -71.04 -43.38 67.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.176 0.513 . . . . 25.0 110.812 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.92 92.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 25.0 110.189 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.4 m -69.8 -31.45 48.38 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.171 0 C-N-CA 120.43 -0.508 . . . . 25.0 109.825 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.8 72.34 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.704 0.684 . . . . 25.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.54 84.62 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 177.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.73 67.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.52 0.2 . . . . 25.0 111.404 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -69.53 -44.56 70.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.183 0.516 . . . . 25.0 111.11 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 49.7 ptt85 -65.83 -28.14 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -51.57 27.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.67 -0.695 . . . . 25.0 110.608 177.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 11.8 p -62.83 -35.96 73.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 118.555 0.616 . . . . 25.0 109.432 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -62.87 -35.82 81.25 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.745 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.77 90.84 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.797 -0.361 . . . . 25.0 110.372 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -69.66 -35.3 65.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.97 63.75 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.32 -42.38 20.67 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.028 0.442 . . . . 25.0 111.146 175.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 40.7 mtm -59.36 -24.76 63.67 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.58 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 40.1 p -78.83 -27.38 44.28 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 119.549 -0.86 . . . . 25.0 110.174 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -81.68 -36.66 28.48 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 107.979 -1.119 . . . . 25.0 107.979 173.535 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 . . . . . 0 C--O 1.218 -0.574 0 N-CA-C 108.463 -0.94 . . . . 25.0 108.463 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.56 -32.65 50.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.773 -0.648 . . . . 25.0 110.284 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.2 m -66.48 -37.65 85.57 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.806 -0.559 . . . . 25.0 111.837 177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.19 -36.48 61.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.08 0.943 . . . . 25.0 108.832 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 19.0 ttp -66.31 -26.7 67.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.642 -0.708 . . . . 25.0 110.279 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.7 71.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.077 -0.39 . . . . 25.0 110.579 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.43 80.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.255 -1.017 . . . . 25.0 108.255 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.48 -45.42 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.78 -44.91 86.57 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.699 0.285 . . . . 25.0 110.335 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.2 91.92 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 121.036 -0.266 . . . . 25.0 110.554 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.23 82.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.87 -42.95 97.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 25.0 109.734 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.35 -41.32 98.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.803 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -74.64 -33.68 62.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.102 -1.039 . . . . 25.0 112.021 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 67.7 mtm -66.4 -33.03 74.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.42 0.555 . . . . 25.0 109.921 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.8 m -57.47 -35.7 70.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -67.22 -43.38 82.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.456 -0.777 . . . . 25.0 109.637 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -64.05 -41.65 97.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 22.1 m -69.1 -31.38 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.536 -0.466 . . . . 25.0 111.942 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 175.529 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.62 -35.2 79.61 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.339 -0.544 . . . . 25.0 111.668 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.68 -26.22 68.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.592 -0.843 . . . . 25.0 110.997 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -76.19 -42.7 23.15 Favored Glycine 0 C--O 1.223 -0.581 0 N-CA-C 108.284 -1.926 . . . . 25.0 108.284 173.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.13 71.53 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.197 0.522 . . . . 25.0 111.731 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.6 -41.86 98.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.046 0.451 . . . . 25.0 110.911 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.73 65.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.348 -0.387 . . . . 25.0 111.162 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.1 m -68.93 -26.57 32.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.115 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.909 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.01 64.49 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.295 0.498 . . . . 25.0 111.719 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.06 74.9 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.73 -38.02 67.57 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.495 ' HA ' HG12 ' A' ' 476' ' ' VAL . 13.3 mt-30 -69.63 -45.42 68.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.287 0.565 . . . . 25.0 112.245 -175.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -62.69 -26.1 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.606 -0.684 . . . . 25.0 109.637 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.28 -50.14 15.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.762 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 473' ' ' GLN . 9.2 p -63.8 -38.7 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -62.68 -34.22 76.68 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.283 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.56 99.72 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.688 -0.633 . . . . 25.0 110.019 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 479' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 476' ' ' VAL . 3.9 mt -71.92 -33.6 48.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.55 -26.93 62.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.587 0.708 . . . . 25.0 109.841 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.7 mt -80.6 -41.92 23.15 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.477 0.656 . . . . 25.0 109.728 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.2 mtm -63.65 -26.63 68.76 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 116.259 -0.428 . . . . 25.0 111.771 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.2 p -75.5 -37.3 60.24 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.507 -0.877 . . . . 25.0 109.593 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -80.23 -34.89 36.87 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.852 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 N--CA 1.448 -0.537 0 O-C-N 121.875 -0.516 . . . . 25.0 109.916 178.145 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.22 -0.487 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 27.5 t -66.26 -35.9 76.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 109.983 -0.377 . . . . 25.0 109.983 178.336 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 46.0 m -67.37 -40.45 85.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 25.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -71.58 -33.68 69.26 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 37.0 ttp -66.12 -38.52 88.39 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.532 -0.544 . . . . 25.0 109.532 178.196 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.71 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.012 0.434 . . . . 25.0 110.642 177.97 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.77 -45.99 66.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.835 0.35 . . . . 25.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.3 p -71.16 -31.25 43.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-O 120.621 0.248 . . . . 25.0 110.861 -178.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -53.27 -43.18 67.23 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 120.765 0.317 . . . . 25.0 110.691 176.504 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.1 87.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.044 0.45 . . . . 25.0 110.698 -179.655 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -71.53 -41.73 68.8 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.318 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.14 -41.07 97.91 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.735 0.779 . . . . 25.0 109.671 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.04 -45.59 92.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.482 -0.781 . . . . 25.0 111.587 178.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -73.71 -32.15 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.848 -0.741 . . . . 25.0 111.381 178.492 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.5 tpp -60.34 -41.18 93.08 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.753 -0.832 . . . . 25.0 108.753 176.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 47.9 m -61.22 -37.43 82.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.369 -0.378 . . . . 25.0 110.297 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -67.61 -43.04 81.38 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 177.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -61.35 -45.4 94.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -178.001 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.5 -35.3 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 -178.678 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 77.5 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.596 0.236 . . . . 25.0 110.366 178.142 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -35.11 78.32 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 119.451 -0.309 . . . . 25.0 111.453 -178.024 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.97 -27.61 68.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.246 -0.982 . . . . 25.0 110.739 178.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.77 -45.79 50.14 Favored Glycine 0 C--O 1.218 -0.881 0 N-CA-C 107.167 -2.373 . . . . 25.0 107.167 174.182 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.27 68.98 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.761 0.315 . . . . 25.0 111.408 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -66.75 -42.67 85.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.004 0.431 . . . . 25.0 111.501 178.669 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.68 82.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.121 0.486 . . . . 25.0 110.301 -178.56 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.64 -26.5 28.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.464 -0.335 . . . . 25.0 110.632 -179.396 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.1 64.82 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 117.924 0.329 . . . . 25.0 111.758 -178.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.39 94.35 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 177.324 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -33.55 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.711 0.291 . . . . 25.0 110.623 177.236 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.414 ' HA ' HG12 ' A' ' 476' ' ' VAL . 82.0 mm-40 -70.11 -45.83 66.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.04 0.447 . . . . 25.0 111.573 -179.051 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -64.29 -27.03 68.75 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.12 -0.632 . . . . 25.0 109.436 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.62 -51.44 23.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.969 -0.56 . . . . 25.0 110.342 177.291 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.1 p -63.69 -36.55 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -177.376 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -64.25 -35.02 79.47 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.002 -0.544 . . . . 25.0 110.333 177.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.16 92.78 Favored 'General case' 0 C--O 1.223 -0.34 0 O-C-N 121.923 -0.486 . . . . 25.0 110.351 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -71.58 -32.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 -179.516 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.54 -27.49 67.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.2 mt -79.15 -44.15 22.54 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 177.084 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 43.8 mtm -60.48 -29.49 69.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.12 0.486 . . . . 25.0 111.53 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 21.5 p -80.5 -32.64 36.9 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.918 -0.713 . . . . 25.0 110.647 -176.169 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -81.37 -29.44 34.02 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 119.877 -0.729 . . . . 25.0 110.109 175.13 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--O 1.222 -0.382 0 O-C-N 121.704 -0.623 . . . . 25.0 109.772 178.186 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 C--O 1.217 -0.609 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.12 -35.04 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.123 -0.49 . . . . 25.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 12.0 t -69.06 -40.45 78.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.867 0.365 . . . . 25.0 110.2 178.805 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -67.23 -35.27 79.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.32 -0.993 . . . . 25.0 108.32 178.704 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -36.8 84.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.21 -0.45 . . . . 25.0 110.577 179.01 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.56 -30.22 69.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.792 -0.448 . . . . 25.0 109.792 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.64 80.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 177.473 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 64.7 t -66.16 -45.29 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 177.608 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -58.79 -42.42 89.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 25.0 110.161 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.69 90.8 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.25 -0.281 . . . . 25.0 111.441 178.881 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.6 92.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.59 -45.76 92.79 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.74 -44.38 93.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.731 -0.668 . . . . 25.0 112.38 -179.37 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.81 -35.22 64.85 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.532 -0.867 . . . . 25.0 111.871 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.28 -39.55 92.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.413 0.551 . . . . 25.0 110.186 178.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 95.0 m -53.14 -32.94 50.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.297 0.57 . . . . 25.0 111.294 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -62.03 -48.72 79.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.027 0.442 . . . . 25.0 111.032 -178.276 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -72.49 -40.18 67.09 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 179.309 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -57.16 -44.53 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.249 -0.887 . . . . 25.0 112.969 -178.071 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 55.1 mt . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -178.36 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.335 0.112 . . . . 25.0 111.111 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.2 -36.97 82.84 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.399 -0.52 . . . . 25.0 111.406 -178.331 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -70.55 -28.23 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.621 -0.674 . . . . 25.0 109.335 178.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.86 -46.24 68.55 Favored Glycine 0 C--O 1.216 -1.014 0 N-CA-C 107.729 -2.148 . . . . 25.0 107.729 175.186 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.18 -36.72 66.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 117.02 0.41 . . . . 25.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -71.98 -41.51 67.57 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 113.284 0.846 . . . . 25.0 113.284 179.186 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.05 81.54 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.349 -0.841 . . . . 25.0 111.241 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.1 m -67.71 -26.59 35.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 116.224 -0.443 . . . . 25.0 110.532 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.82 -32.29 65.58 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.156 0.434 . . . . 25.0 110.961 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.82 -38.27 88.49 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 177.271 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.76 66.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.622 -0.263 . . . . 25.0 110.536 177.27 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.447 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.0 mm-40 -69.56 -46.45 66.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.072 -0.392 . . . . 25.0 111.664 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -63.6 -27.52 69.3 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 178.373 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.57 -52.5 15.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.64 . . . . 25.0 110.756 177.224 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -63.35 -36.0 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 118.675 0.671 . . . . 25.0 109.556 -176.057 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -63.29 -35.34 80.02 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.009 -0.542 . . . . 25.0 110.344 178.291 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.4 96.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.116 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -70.7 -34.73 57.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 109.662 -0.495 . . . . 25.0 109.662 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.05 -26.97 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.261 0.553 . . . . 25.0 109.904 178.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.6 mt -80.05 -43.51 21.73 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.681 -0.489 . . . . 25.0 109.681 176.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.8 mtm -61.2 -28.57 69.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.088 0.471 . . . . 25.0 111.571 -179.503 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.6 p -77.25 -15.23 59.55 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.12 -0.632 . . . . 25.0 111.904 -175.2 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -107.03 -36.82 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.097 0.248 . . . . 25.0 110.907 174.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.328 -0.349 0 O-C-N 122.025 -0.422 . . . . 25.0 110.875 179.437 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 . . . . . 0 C--O 1.209 -1.048 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.94 -33.88 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.062 0.458 . . . . 25.0 110.28 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 46.7 m -67.17 -39.72 86.49 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 178.86 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -74.88 -29.68 61.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.202 178.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.3 ttm -60.55 -38.79 85.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 25.0 109.902 178.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.15 72.23 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.024 0.44 . . . . 25.0 110.673 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.05 68.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.212 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.81 -43.3 86.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -58.77 -43.99 90.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.242 0.544 . . . . 25.0 109.688 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.52 94.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.824 -0.548 . . . . 25.0 110.506 178.835 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.25 87.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.268 -0.423 . . . . 25.0 111.874 -178.584 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.76 -33.3 73.67 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.724 -0.79 . . . . 25.0 110.27 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.99 -37.63 86.44 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 122.031 -0.418 . . . . 25.0 111.062 178.047 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.67 -32.16 53.01 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 119.535 -0.866 . . . . 25.0 111.38 175.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 57.3 mtm -65.19 -31.48 72.68 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.455 -0.778 . . . . 25.0 110.227 177.532 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 86.2 m -55.42 -29.48 58.66 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.667 0.746 . . . . 25.0 110.329 177.01 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -69.24 -42.6 75.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.466 -0.771 . . . . 25.0 109.747 -179.288 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.24 -34.83 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.73 -0.47 . . . . 25.0 109.73 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.03 -40.25 80.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 25.0 109.844 177.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 112.983 0.735 . . . . 25.0 112.983 178.85 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.162 -0.31 . . . . 25.0 110.162 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -38.89 86.61 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 119.218 -0.42 . . . . 25.0 110.94 -179.455 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -56.34 -40.24 74.13 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.125 0.875 . . . . 25.0 110.785 177.736 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.14 -49.74 38.3 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 109.594 -1.403 . . . . 25.0 109.594 177.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.02 -37.11 66.22 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -179.03 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -72.22 -42.94 65.16 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.997 -0.44 . . . . 25.0 110.31 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.42 91.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 25.0 110.022 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -70.67 -30.5 42.52 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.195 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.88 -35.89 71.63 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.885 0.766 . . . . 25.0 110.927 -179.615 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.43 87.5 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 177.554 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.82 67.26 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.726 -0.215 . . . . 25.0 111.158 177.002 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.472 ' HA ' HG12 ' A' ' 476' ' ' VAL . 65.3 mm-40 -69.26 -45.66 69.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.723 -0.611 . . . . 25.0 112.334 -179.067 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.52 -27.2 68.99 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 178.519 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.6 tp -76.33 -51.8 11.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.681 177.711 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.5 p -63.05 -36.93 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 118.587 0.63 . . . . 25.0 110.016 -175.923 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -64.73 -34.16 77.68 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.437 178.438 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.43 98.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.508 -0.477 . . . . 25.0 109.723 179.624 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 479' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 476' ' ' VAL . 4.0 mt -70.11 -35.8 65.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 -179.449 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.36 -27.0 61.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.443 0.64 . . . . 25.0 109.66 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.9 -42.41 21.46 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.112 0.482 . . . . 25.0 109.871 177.493 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.1 mtm -60.78 -30.52 70.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.873 0.368 . . . . 25.0 110.785 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 30.6 p -78.11 -13.88 59.7 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.512 -0.475 . . . . 25.0 112.173 -176.489 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -107.33 -26.87 10.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.742 0.275 . . . . 25.0 111.742 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 N--CA 1.448 -0.548 0 CA-C-N 118.41 0.55 . . . . 25.0 110.206 175.182 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--O 1.206 -1.231 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.84 -32.7 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 120.961 0.41 . . . . 25.0 110.254 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -66.24 -40.57 90.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 178.149 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -74.64 -31.29 61.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.473 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 23.8 ttm -61.62 -36.05 79.64 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.304 0.573 . . . . 25.0 110.866 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.06 75.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.637 179.357 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.1 69.81 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 178.662 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.56 -47.67 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.72 -46.04 91.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.852 0.358 . . . . 25.0 110.693 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.82 92.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.992 -0.442 . . . . 25.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.65 72.0 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 116.06 -0.518 . . . . 25.0 111.728 -178.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -69.85 -31.73 69.74 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.864 -0.734 . . . . 25.0 111.036 -177.866 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.43 -42.99 98.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 177.559 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -75.31 -32.4 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.114 -1.034 . . . . 25.0 112.405 176.009 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.8 tpp -59.81 -33.67 72.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.468 -0.568 . . . . 25.0 109.468 176.963 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 57.3 m -58.29 -33.87 69.93 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.102 0.477 . . . . 25.0 110.705 178.188 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -69.63 -47.95 61.65 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.117 -1.068 . . . . 25.0 108.117 178.651 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 -177.591 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.45 -33.08 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 116.363 -0.381 . . . . 25.0 111.946 178.351 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 110.484 -0.191 . . . . 25.0 110.484 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -35.38 80.43 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.588 -0.523 . . . . 25.0 109.588 179.379 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.18 -35.83 76.24 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.407 0.623 . . . . 25.0 109.991 176.77 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.91 -46.26 68.07 Favored Glycine 0 C--O 1.219 -0.803 0 N-CA-C 108.908 -1.677 . . . . 25.0 108.908 177.555 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.83 -39.6 65.72 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.617 0.367 . . . . 25.0 111.758 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -65.36 -44.73 86.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.237 0.542 . . . . 25.0 111.282 179.02 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.81 -44.2 74.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 25.0 111.534 -177.64 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.8 m -68.29 -26.64 34.4 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 116.582 -0.281 . . . . 25.0 110.757 -178.542 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -54.65 -34.02 61.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.71 0.232 . . . . 25.0 111.588 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.0 89.03 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.918 0.389 . . . . 25.0 110.417 177.874 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -37.05 67.81 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 177.051 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.452 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.9 mm-40 -65.7 -46.55 78.56 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.595 0.591 . . . . 25.0 112.595 -178.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -62.5 -27.77 69.37 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -52.58 10.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.915 177.397 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.6 p -63.64 -36.35 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 118.785 0.72 . . . . 25.0 109.875 -174.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -62.69 -36.17 82.06 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.09 178.347 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.88 91.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.344 -178.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.03 -33.82 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.173 -0.611 . . . . 25.0 109.98 -178.789 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.67 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.439 0.638 . . . . 25.0 109.44 179.387 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.49 -42.84 42.07 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 121.391 0.615 . . . . 25.0 110.124 178.228 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.2 mtm -63.76 -27.21 69.04 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 120.688 -0.405 . . . . 25.0 111.97 -179.376 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.5 p -83.17 -34.6 25.94 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.903 -0.719 . . . . 25.0 109.745 -176.543 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -79.58 -26.05 41.41 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.036 -0.666 . . . . 25.0 110.712 177.257 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.448 -0.525 0 O-C-N 121.71 -0.619 . . . . 25.0 111.476 176.838 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 C--O 1.211 -0.95 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.84 -34.8 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-O 120.843 0.354 . . . . 25.0 110.525 178.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 42.5 m -66.64 -39.87 88.45 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.542 -0.463 . . . . 25.0 109.795 179.451 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -75.81 -27.5 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.947 0.404 . . . . 25.0 110.539 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 40.5 ttm -58.6 -33.01 69.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.208 0.603 . . . . 25.0 111.364 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.48 77.48 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.22 0.533 . . . . 25.0 110.597 178.353 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.94 -34.81 59.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 178.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.98 -47.03 92.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 N-CA-C 108.763 -0.829 . . . . 25.0 108.763 178.406 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.8 -43.24 90.5 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.932 -0.307 . . . . 25.0 110.499 179.413 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.07 95.76 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.957 -0.297 . . . . 25.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.68 73.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.316 -0.402 . . . . 25.0 111.049 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.18 -44.62 96.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.563 0.697 . . . . 25.0 109.488 -179.456 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.0 -42.8 95.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.511 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.81 -34.8 64.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.167 -1.013 . . . . 25.0 112.37 178.736 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 73.1 mtm -64.28 -37.3 87.0 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 178.085 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 40.2 m -59.87 -39.19 84.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.003 0.43 . . . . 25.0 110.471 177.544 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -64.71 -47.63 77.6 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 178.647 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.42 -43.8 92.98 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.7 -1.136 . . . . 25.0 113.403 -178.019 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.3 m -69.99 -35.05 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 112.493 0.553 . . . . 25.0 112.493 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.855 0.359 . . . . 25.0 111.526 177.951 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 110.219 -0.289 . . . . 25.0 110.219 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -35.48 80.67 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 120.795 -0.362 . . . . 25.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -56.89 -37.13 70.97 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.764 0.711 . . . . 25.0 110.128 175.737 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.84 -47.91 52.16 Favored Glycine 0 C--O 1.218 -0.851 0 N-CA-C 109.392 -1.483 . . . . 25.0 109.392 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.41 -39.26 64.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.49 -42.71 82.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.189 0.519 . . . . 25.0 111.131 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.66 -44.3 74.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 25.0 110.963 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 20.9 m -68.81 -26.52 32.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-N 116.614 -0.266 . . . . 25.0 110.774 -178.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.46 65.25 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 117.836 0.289 . . . . 25.0 111.047 179.405 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.29 78.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.618 0.247 . . . . 25.0 110.593 178.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -76.85 -36.57 56.71 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 120.56 0.219 . . . . 25.0 110.613 175.488 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.447 ' HA ' HG12 ' A' ' 476' ' ' VAL . 52.5 mm-40 -66.35 -46.08 78.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 -178.143 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -61.19 -28.71 69.33 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.133 -0.691 . . . . 25.0 109.133 178.565 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -50.68 13.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.7 p -63.43 -35.57 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 -176.562 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.84 -36.17 82.36 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.022 -0.536 . . . . 25.0 110.474 178.353 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.53 98.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.317 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -72.75 -31.78 38.07 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.53 65.98 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.288 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.6 mt -77.38 -45.28 26.48 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 177.704 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.5 mtm -62.12 -28.81 69.89 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.121 0.486 . . . . 25.0 111.393 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 28.2 p -85.87 -17.79 34.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.28 -0.568 . . . . 25.0 111.664 -176.626 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -93.38 -23.58 18.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 173.436 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 173.587 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.215 -0.748 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.35 -31.04 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.654 -0.703 . . . . 25.0 110.653 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -67.19 -40.74 86.57 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.883 -0.511 . . . . 25.0 110.533 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -75.77 -30.69 59.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.465 0.65 . . . . 25.0 109.744 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 45.6 ttp -63.32 -41.48 98.91 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 177.334 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.51 72.49 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.048 0.451 . . . . 25.0 110.769 177.702 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.49 68.22 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.131 -0.356 . . . . 25.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.22 -32.62 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 122.339 -0.226 . . . . 25.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.46 -46.32 86.83 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 174.414 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.87 85.23 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.86 -0.525 . . . . 25.0 110.166 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.87 -46.45 78.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.588 -179.358 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.8 -31.13 70.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.544 -0.723 . . . . 25.0 110.661 -178.558 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 38.7 mt -62.67 -42.04 99.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.128 -0.357 . . . . 25.0 110.086 177.593 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -74.99 -32.22 61.61 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.462 -0.895 . . . . 25.0 111.545 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 7.2 tpp -62.79 -33.41 75.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.817 0.342 . . . . 25.0 110.596 178.401 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.3 m -57.84 -36.55 72.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.471 0.653 . . . . 25.0 109.898 177.357 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -66.61 -41.0 89.08 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.87 -44.85 91.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.428 -0.806 . . . . 25.0 111.535 -178.326 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.0 m -68.38 -33.25 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 112.4 0.519 . . . . 25.0 112.4 -177.468 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 C--N 1.322 -0.619 0 N-CA-C 109.249 -0.649 . . . . 25.0 109.249 177.253 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.355 0 CA-C-O 121.182 0.515 . . . . 25.0 110.223 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 -31.99 72.4 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -176.742 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -67.09 -28.24 68.01 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.786 -0.766 . . . . 25.0 110.502 177.671 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -74.02 -38.15 48.58 Favored Glycine 0 C--O 1.225 -0.466 0 N-CA-C 107.739 -2.144 . . . . 25.0 107.739 174.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.42 -32.89 63.06 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 120.808 0.337 . . . . 25.0 111.344 178.672 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -72.59 -39.31 67.46 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.027 -0.42 . . . . 25.0 111.707 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.78 75.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.34 0.591 . . . . 25.0 109.459 -179.04 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.14 -26.58 32.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.364 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.71 -28.87 64.24 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.178 -0.326 . . . . 25.0 111.778 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.86 92.56 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.638 -0.504 . . . . 25.0 109.638 177.228 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -37.64 67.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.837 0.351 . . . . 25.0 110.078 176.495 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.452 ' HA ' HG12 ' A' ' 476' ' ' VAL . 63.6 mm-40 -65.87 -46.41 78.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 -179.062 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.88 -28.08 69.79 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 178.835 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.4 -52.07 15.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.8 -0.637 . . . . 25.0 110.698 177.318 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.7 p -63.18 -35.78 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 118.804 0.729 . . . . 25.0 109.482 -175.932 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -62.25 -36.28 81.56 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.303 178.407 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.38 -43.86 92.85 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.291 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.66 -34.77 53.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.53 -26.95 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.438 0.637 . . . . 25.0 110.018 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.63 -41.99 36.47 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 177.054 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.3 mtm -63.06 -28.2 69.92 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.426 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.2 p -78.41 -34.17 48.19 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.262 -0.975 . . . . 25.0 110.208 -176.129 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -81.49 -31.65 32.8 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.536 -0.466 . . . . 25.0 111.082 176.536 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 177.652 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--O 1.21 -0.998 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.58 -37.91 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 122.229 -0.294 . . . . 25.0 110.835 176.642 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.2 m -64.16 -37.5 87.7 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.689 -0.632 . . . . 25.0 110.899 178.467 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -75.82 -31.87 59.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.471 0.653 . . . . 25.0 109.895 179.056 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 37.3 ttm -60.11 -44.79 94.59 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.539 -0.755 . . . . 25.0 109.344 179.009 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.7 78.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.173 0.511 . . . . 25.0 110.924 -178.807 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.4 -46.99 58.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.865 -178.941 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.39 -34.73 59.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 C-N-CA 120.989 -0.284 . . . . 25.0 111.012 -178.083 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -57.55 -46.0 84.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.81 -0.441 . . . . 25.0 109.81 177.15 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.58 96.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.683 0.278 . . . . 25.0 110.681 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.63 86.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.251 -179.359 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.96 -41.76 99.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.419 0.628 . . . . 25.0 109.323 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 40.0 mt -62.4 -43.64 98.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.809 -0.632 . . . . 25.0 112.195 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -73.75 -32.19 63.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.656 -0.818 . . . . 25.0 111.329 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -61.13 -42.09 97.91 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.461 -0.941 . . . . 25.0 108.461 175.174 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 62.6 m -59.42 -33.18 70.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.87 -0.604 . . . . 25.0 110.543 179.098 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -65.7 -44.4 86.25 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.447 -0.783 . . . . 25.0 109.966 179.39 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -64.29 -44.35 91.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.642 -0.873 . . . . 25.0 108.642 -179.413 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.19 -41.5 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 124.281 1.032 . . . . 25.0 113.585 179.449 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -177.841 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -35.74 81.8 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 122.197 -0.314 . . . . 25.0 111.843 -178.006 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -64.76 -27.11 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.281 -0.887 . . . . 25.0 110.07 178.265 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -75.15 -44.03 24.34 Favored Glycine 0 C--O 1.222 -0.63 0 N-CA-C 107.851 -2.1 . . . . 25.0 107.851 174.456 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.93 69.15 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 120.966 0.412 . . . . 25.0 111.196 179.613 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -63.02 -44.97 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.21 0.529 . . . . 25.0 111.242 178.677 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.04 73.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.102 0.477 . . . . 25.0 110.975 -177.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.12 -26.58 29.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.918 0 C-N-CA 120.68 -0.408 . . . . 25.0 110.544 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.61 66.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 118.451 0.568 . . . . 25.0 111.078 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.12 -36.5 82.03 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.029 0.443 . . . . 25.0 109.925 177.814 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -33.62 66.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.553 -0.294 . . . . 25.0 110.857 177.097 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.473 ' HA ' HG12 ' A' ' 476' ' ' VAL . 35.1 mm-40 -72.17 -46.11 57.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.16 0.505 . . . . 25.0 111.919 -176.041 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -62.01 -28.03 69.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.609 -0.886 . . . . 25.0 108.609 178.29 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.1 -53.16 9.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.33 177.315 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.7 p -63.21 -35.31 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 121.599 -0.688 . . . . 25.0 109.909 -175.639 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -63.68 -36.76 84.92 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.242 178.287 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.68 89.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 25.0 110.054 -179.685 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -71.2 -35.37 58.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 C-N-CA 120.656 -0.417 . . . . 25.0 109.876 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.97 65.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.138 0.494 . . . . 25.0 109.858 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.76 -44.04 28.89 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 177.332 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -60.67 -29.66 69.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.924 0.392 . . . . 25.0 111.28 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.7 p -77.35 -13.83 59.85 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.241 -0.584 . . . . 25.0 112.337 -175.952 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -108.7 -34.08 6.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.632 -0.258 . . . . 25.0 110.651 175.515 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.328 -0.334 0 O-C-N 122.015 -0.428 . . . . 25.0 110.394 178.427 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 . . . . . 0 C--O 1.21 -0.986 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.53 -33.1 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.963 -0.461 . . . . 25.0 110.713 175.325 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 19.5 m -70.27 -38.85 75.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.645 -0.659 . . . . 25.0 110.388 179.695 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -75.14 -30.89 60.92 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.498 0.666 . . . . 25.0 109.384 -179.146 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 4.1 mtp -62.92 -44.36 96.3 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.432 -0.804 . . . . 25.0 109.056 177.814 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.96 -33.31 75.44 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.344 -178.757 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.47 -45.38 65.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.489 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.63 -32.22 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.99 -0.444 . . . . 25.0 110.743 -178.962 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -58.5 -43.45 89.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 174.727 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.97 -37.39 84.16 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.565 -0.288 . . . . 25.0 110.686 178.297 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.14 95.25 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.695 0.284 . . . . 25.0 110.955 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -60.7 -45.79 92.85 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.036 0.922 . . . . 25.0 109.009 178.881 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.75 -43.76 98.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.13 -0.941 . . . . 25.0 112.196 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.7 -33.15 64.27 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.482 -0.887 . . . . 25.0 112.16 -179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 65.9 mtm -62.2 -39.66 93.5 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 176.872 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 59.1 m -55.59 -28.72 56.72 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.203 0.525 . . . . 25.0 111.028 178.659 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -69.17 -43.44 74.25 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.472 -0.767 . . . . 25.0 110.828 -178.206 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -72.35 -40.62 67.2 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.15 -1.056 . . . . 25.0 108.15 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 3.3 t -55.59 -42.15 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.635 -0.711 . . . . 25.0 112.444 -178.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 113.627 0.973 . . . . 25.0 113.627 -179.256 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.184 -0.302 . . . . 25.0 110.184 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -38.13 86.16 Favored 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 120.6 -0.44 . . . . 25.0 110.026 179.455 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.86 -35.29 77.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.701 -0.624 . . . . 25.0 110.358 177.799 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.44 -46.0 73.79 Favored Glycine 0 C--O 1.217 -0.962 0 N-CA-C 108.635 -1.786 . . . . 25.0 108.635 176.272 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.84 69.67 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.806 0.303 . . . . 25.0 111.537 179.409 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -67.9 -43.36 79.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.181 0.515 . . . . 25.0 110.88 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.69 -44.68 85.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 25.0 110.498 -178.391 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.75 -26.84 28.87 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.064 0 C-N-CA 120.688 -0.405 . . . . 25.0 110.384 -179.523 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.22 -33.84 69.76 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.501 0.591 . . . . 25.0 110.955 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.78 88.8 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 177.339 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.81 -35.41 67.32 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.666 -0.243 . . . . 25.0 110.523 176.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.452 ' HA ' HG12 ' A' ' 476' ' ' VAL . 59.0 mm-40 -67.46 -46.58 72.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.961 -0.462 . . . . 25.0 112.166 -179.121 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -62.91 -27.0 69.07 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -75.72 -52.92 9.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.536 -0.756 . . . . 25.0 111.087 177.743 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.4 p -63.73 -36.73 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 118.473 0.579 . . . . 25.0 109.876 -175.491 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -64.19 -34.33 77.83 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.212 178.698 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.9 97.75 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.352 -0.539 . . . . 25.0 109.945 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.08 -34.96 56.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 -179.309 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.34 -26.94 61.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.226 0.536 . . . . 25.0 109.714 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.38 -42.72 20.05 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.124 0.488 . . . . 25.0 109.772 177.585 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 49.1 mtm -61.15 -28.9 69.45 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.171 -0.331 . . . . 25.0 111.505 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.9 p -79.74 -15.01 58.31 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.241 -0.583 . . . . 25.0 112.061 -176.078 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -105.5 -33.41 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.2 -0.2 . . . . 25.0 111.171 176.097 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 C--N 1.327 -0.382 0 O-C-N 121.803 -0.56 . . . . 25.0 109.927 177.966 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 . . . . . 0 C--O 1.218 -0.583 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 83.6 t -65.71 -33.83 66.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.038 -178.632 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 67.2 m -65.36 -42.09 93.13 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.646 -0.421 . . . . 25.0 111.167 -179.483 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.73 -33.71 60.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.475 0.655 . . . . 25.0 109.675 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.6 ttp -63.32 -41.85 98.95 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 178.059 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.54 74.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.004 0.43 . . . . 25.0 110.154 179.313 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.98 74.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.611 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.28 -35.56 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.912 -0.315 . . . . 25.0 110.545 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -59.07 -45.46 90.76 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.495 -0.557 . . . . 25.0 109.495 175.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.72 -38.12 88.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.762 0.315 . . . . 25.0 110.421 178.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.89 97.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.443 179.459 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.422 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 2.4 mt-10 -65.14 -43.24 92.51 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.415 0.626 . . . . 25.0 109.751 179.052 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 39.4 mt -57.75 -45.61 85.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.545 -0.752 . . . . 25.0 110.86 -179.254 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -76.15 -38.94 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 177.619 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 433' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 13.9 ptp -64.21 -37.24 86.75 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 121.424 -0.798 . . . . 25.0 112.686 -174.299 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 27.1 m -57.96 -30.17 65.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.579 0.704 . . . . 25.0 111.578 -175.111 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -65.47 -46.2 80.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.21 -0.45 . . . . 25.0 109.871 -178.197 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -72.41 -41.73 65.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.116 0.484 . . . . 25.0 110.178 178.036 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.83 -43.12 73.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 -176.3 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 112.341 0.497 . . . . 25.0 112.341 -178.992 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.87 -36.17 81.7 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.501 -0.318 . . . . 25.0 111.153 -177.578 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.22 -27.86 68.97 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.5 -0.88 . . . . 25.0 110.339 178.882 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.74 -43.61 42.07 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 107.938 -2.065 . . . . 25.0 107.938 174.352 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.27 -39.94 67.35 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 120.981 0.419 . . . . 25.0 111.544 179.345 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -66.32 -42.68 87.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.097 0.475 . . . . 25.0 111.391 178.532 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.12 79.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.904 0.383 . . . . 25.0 110.648 -178.149 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.8 m -68.74 -30.99 48.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 120.893 -0.323 . . . . 25.0 110.145 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.93 -32.16 65.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 118.076 0.398 . . . . 25.0 111.258 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.28 90.51 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.843 -0.429 . . . . 25.0 109.843 177.342 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.67 67.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.726 0.298 . . . . 25.0 110.881 176.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -68.49 -43.93 75.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.131 0.491 . . . . 25.0 111.199 -179.288 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -67.24 -26.22 66.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.445 -0.784 . . . . 25.0 109.602 177.678 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -49.98 38.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.266 177.343 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.51 -36.59 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -177.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.55 -36.09 82.65 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.223 177.619 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.4 -45.09 89.04 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.958 -0.464 . . . . 25.0 110.43 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -70.47 -34.4 57.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.173 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.56 -28.1 66.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 178.827 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.78 -43.56 22.27 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 122.022 -0.424 . . . . 25.0 110.155 176.844 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.7 mtm -59.35 -28.61 67.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.087 0.47 . . . . 25.0 111.54 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.0 p -79.82 -14.14 58.9 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.045 -0.662 . . . . 25.0 111.693 -175.197 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -106.02 -36.17 7.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.768 -0.196 . . . . 25.0 110.981 174.317 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.327 -0.385 0 O-C-N 121.855 -0.528 . . . . 25.0 110.622 179.061 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 . . . . . 0 C--O 1.217 -0.643 0 CA-C-O 120.653 0.263 . . . . 25.0 111.053 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.55 -28.71 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.161 0.505 . . . . 25.0 109.713 -178.343 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 45.3 m -67.38 -37.48 83.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.829 -0.545 . . . . 25.0 110.004 177.924 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -75.68 -32.69 60.23 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 121.829 0.823 . . . . 25.0 109.172 178.772 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 50.5 ttm -60.45 -35.22 75.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.792 -0.64 . . . . 25.0 110.591 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.94 73.22 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.919 0.39 . . . . 25.0 110.62 178.24 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.22 -36.83 66.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 178.272 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.71 -42.36 94.78 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 177.75 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.35 -44.44 88.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.899 0.381 . . . . 25.0 110.403 178.274 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.06 89.39 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.864 0.364 . . . . 25.0 110.51 178.436 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.61 90.14 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.268 -0.424 . . . . 25.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.34 -40.6 94.86 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.805 0.812 . . . . 25.0 110.65 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 73.1 mt -59.71 -45.64 91.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.284 -0.871 . . . . 25.0 110.822 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.76 -30.86 63.03 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 119.815 -0.754 . . . . 25.0 111.608 177.477 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 9.4 tpp -63.21 -41.98 99.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.805 -0.559 . . . . 25.0 109.656 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 44.6 m -60.37 -44.19 95.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.955 0.407 . . . . 25.0 111.422 -179.438 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -71.38 -22.64 61.86 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.25 -0.98 . . . . 25.0 110.102 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -75.09 -47.97 26.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 175.709 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 25.1 m -64.0 -30.18 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 113.75 1.019 . . . . 25.0 113.75 -176.497 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.909 178.099 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 109.811 -0.44 . . . . 25.0 109.811 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.17 -33.91 75.33 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.632 -0.427 . . . . 25.0 111.835 -176.886 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -67.3 -28.6 68.14 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.076 -0.649 . . . . 25.0 110.645 177.659 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -74.02 -38.01 48.81 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 108.474 -1.85 . . . . 25.0 108.474 176.452 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.03 -37.55 64.23 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 120.942 0.401 . . . . 25.0 111.284 179.423 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -65.44 -43.2 91.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.083 0.468 . . . . 25.0 112.193 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.72 -44.19 70.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.287 0.565 . . . . 25.0 110.618 -177.641 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.4 m -68.85 -26.52 32.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 116.284 -0.417 . . . . 25.0 110.805 -178.763 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.09 -31.74 63.5 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.969 0.359 . . . . 25.0 111.969 -179.105 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.5 91.3 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 177.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.64 -36.87 68.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 176.805 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.432 ' HA ' HG12 ' A' ' 476' ' ' VAL . 67.5 mm-40 -66.02 -46.56 77.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.216 0.45 . . . . 25.0 112.216 -178.776 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.31 -27.78 69.56 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.417 -0.513 . . . . 25.0 109.647 178.727 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.99 -51.71 17.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.932 -0.577 . . . . 25.0 110.751 177.086 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.4 p -63.37 -35.96 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 118.749 0.704 . . . . 25.0 109.495 -176.098 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -62.76 -35.97 81.56 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.349 178.27 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.39 91.83 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.318 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.75 -35.54 61.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.541 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.11 -26.93 65.12 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.412 0.625 . . . . 25.0 109.951 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -78.67 -42.76 27.73 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.3 mtm -61.21 -27.16 68.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.984 0.421 . . . . 25.0 111.485 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.7 p -78.8 -17.93 54.93 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.962 -0.695 . . . . 25.0 111.99 -176.49 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -102.81 -35.02 8.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.778 -0.192 . . . . 25.0 110.808 176.056 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 176.039 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--O 1.217 -0.633 0 CA-C-O 121.423 0.63 . . . . 25.0 109.9 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 55.2 t -72.43 -36.27 54.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.072 -0.513 . . . . 25.0 109.617 -178.55 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.7 m -65.49 -40.34 92.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.541 -0.3 . . . . 25.0 111.581 179.251 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.23 -35.52 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.461 0.648 . . . . 25.0 109.412 179.675 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 61.5 ttp -63.3 -37.89 89.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.04 179.482 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.4 71.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.037 0.446 . . . . 25.0 110.307 178.266 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.82 71.34 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 178.046 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 64.0 t -66.34 -42.75 91.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 177.663 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.44 -44.83 92.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.305 0.574 . . . . 25.0 109.584 178.021 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.15 89.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.95 -0.469 . . . . 25.0 110.721 179.234 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.2 88.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.306 -0.407 . . . . 25.0 111.953 -178.274 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -68.1 -32.11 72.19 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.372 -0.931 . . . . 25.0 110.254 -178.758 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.18 -44.43 84.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.768 -0.373 . . . . 25.0 110.526 178.429 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -73.69 -32.25 63.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.691 -0.804 . . . . 25.0 111.459 178.905 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 61.5 mtm -64.4 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 177.665 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 73.0 m -61.69 -37.21 83.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 176.719 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -65.87 -46.97 76.47 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.415 -0.803 . . . . 25.0 109.101 177.897 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -45.94 89.92 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -177.841 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.88 -37.72 78.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 C-N-CA 120.492 -0.483 . . . . 25.0 112.124 -179.708 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--N 1.323 -0.585 0 O-C-N 121.82 -0.55 . . . . 25.0 111.474 178.624 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -37.52 85.52 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 120.651 -0.42 . . . . 25.0 110.277 179.28 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.02 -33.93 72.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 119.008 0.822 . . . . 25.0 110.498 175.439 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.28 -48.66 62.51 Favored Glycine 0 C--O 1.216 -1.029 0 N-CA-C 108.117 -1.993 . . . . 25.0 108.117 176.047 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.09 64.43 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.214 0.45 . . . . 25.0 112.214 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -70.87 -41.23 71.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.052 0.453 . . . . 25.0 110.954 178.838 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.15 78.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.08 0.467 . . . . 25.0 110.56 -178.601 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.8 m -68.94 -26.45 32.5 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 110.204 -0.295 . . . . 25.0 110.204 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.98 -33.38 67.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 118.297 0.498 . . . . 25.0 110.733 179.109 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.76 87.68 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 177.352 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.83 -33.5 66.21 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.651 -0.249 . . . . 25.0 110.639 176.795 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.432 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.5 mm-40 -68.32 -46.03 71.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.016 0.436 . . . . 25.0 111.404 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.22 -26.72 68.63 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 178.021 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.41 -51.2 18.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.049 -0.523 . . . . 25.0 110.633 177.378 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.6 p -63.66 -35.47 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 118.758 0.708 . . . . 25.0 109.155 -176.863 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -62.6 -36.24 82.11 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.847 -0.615 . . . . 25.0 110.382 177.832 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.75 93.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.127 -0.358 . . . . 25.0 110.213 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.67 -34.75 58.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.05 -27.0 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.38 0.61 . . . . 25.0 109.924 179.285 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.04 -42.21 27.04 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.635 -0.506 . . . . 25.0 109.635 177.118 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.4 mtm -62.32 -29.76 70.67 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.877 0.37 . . . . 25.0 111.199 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.8 p -76.45 -34.54 58.72 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.441 -0.904 . . . . 25.0 110.184 -175.425 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -80.75 -32.42 35.6 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.356 -0.538 . . . . 25.0 110.471 175.703 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.33 -0.258 0 O-C-N 121.758 -0.589 . . . . 25.0 109.671 177.527 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 . . . . . 0 C--O 1.209 -1.077 0 CA-C-O 120.359 0.123 . . . . 25.0 110.872 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 48.5 t -66.0 -34.77 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.216 0.532 . . . . 25.0 109.955 -179.18 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.1 m -70.36 -37.21 74.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.002 -0.436 . . . . 25.0 110.763 178.676 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.23 -33.41 65.32 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 121.598 0.713 . . . . 25.0 109.249 179.43 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.24 -33.2 71.94 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.495 179.729 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.08 -30.44 70.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.271 0.557 . . . . 25.0 110.237 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.62 60.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 177.797 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.39 -44.51 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 177.379 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -55.88 -46.53 78.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.944 0.402 . . . . 25.0 110.35 178.721 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.25 -42.03 99.13 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.986 -0.446 . . . . 25.0 110.954 -179.389 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.7 72.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.937 -178.353 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.25 -31.29 69.74 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.942 -0.703 . . . . 25.0 109.473 -178.337 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.44 -43.45 94.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.429 -0.508 . . . . 25.0 110.702 177.929 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.95 -32.18 67.03 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.122 -1.031 . . . . 25.0 111.358 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.5 mtm -67.13 -37.65 84.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 174.793 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 92.2 m -61.34 -40.89 95.92 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 177.341 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -62.18 -43.15 99.47 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.491 0.662 . . . . 25.0 109.346 178.856 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.65 -46.58 87.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.071 -0.968 . . . . 25.0 113.26 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.9 m -72.04 -32.59 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -177.417 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.322 -0.599 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 178.077 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 110.086 -0.338 . . . . 25.0 110.086 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -35.22 79.92 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 122.088 -0.382 . . . . 25.0 110.419 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -59.03 -36.4 74.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.721 0.692 . . . . 25.0 110.332 176.58 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.21 -45.65 60.77 Favored Glycine 0 C--O 1.22 -0.728 0 N-CA-C 109.075 -1.61 . . . . 25.0 109.075 176.408 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.38 -39.33 67.09 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 122.555 0.342 . . . . 25.0 111.78 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -65.76 -44.4 85.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.085 0.469 . . . . 25.0 111.21 178.913 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.94 82.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.007 0.432 . . . . 25.0 110.518 -178.167 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.5 m -70.01 -28.86 37.93 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.849 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.974 -179.022 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.3 68.59 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.306 0.503 . . . . 25.0 111.307 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.8 82.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.159 -0.311 . . . . 25.0 110.159 177.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -74.46 -36.47 63.33 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.808 -0.178 . . . . 25.0 110.952 176.652 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -66.98 -46.06 75.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.188 0.518 . . . . 25.0 111.875 -178.741 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -63.41 -28.97 70.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 178.627 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.75 -51.42 22.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.046 177.765 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.29 -36.59 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 118.631 0.651 . . . . 25.0 109.387 -176.364 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.83 -35.98 82.39 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.407 178.119 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.98 90.94 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.611 -0.435 . . . . 25.0 110.501 -179.5 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.05 -35.41 53.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.83 65.5 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.403 0.62 . . . . 25.0 109.965 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.76 -41.64 44.01 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.587 0.708 . . . . 25.0 109.338 177.843 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -63.46 -28.2 69.8 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 122.027 -0.421 . . . . 25.0 111.112 178.937 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.3 p -84.85 -8.5 58.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.142 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -108.82 -28.56 9.11 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.635 -0.257 . . . . 25.0 111.016 174.264 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.444 -0.769 0 CA-C-N 118.336 0.516 . . . . 25.0 111.728 176.508 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 . . . . . 0 C--O 1.217 -0.616 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.49 -26.71 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.993 0.425 . . . . 25.0 109.968 178.71 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.3 m -66.26 -38.15 87.15 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.588 -0.695 . . . . 25.0 110.06 177.265 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -75.75 -32.99 60.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.9 0.857 . . . . 25.0 109.105 177.359 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 39.0 ttm -62.32 -33.61 75.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.676 -0.693 . . . . 25.0 109.955 178.87 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.29 70.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.879 178.744 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.24 72.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 177.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.83 -43.72 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 177.942 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.12 -41.9 93.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.816 -0.439 . . . . 25.0 109.816 178.011 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.33 93.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.376 -0.202 . . . . 25.0 110.736 179.444 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.73 -45.03 84.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.86 0.362 . . . . 25.0 110.299 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.59 -45.49 93.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.75 0.786 . . . . 25.0 109.401 179.502 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 50.7 mt -62.64 -46.35 88.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.41 -0.813 . . . . 25.0 111.783 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.81 -32.18 71.71 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.329 -0.948 . . . . 25.0 111.189 -177.969 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 63.6 mtm -66.36 -43.9 84.7 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.59 -0.893 . . . . 25.0 108.59 176.534 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 55.7 m -61.34 -40.31 93.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.179 0.514 . . . . 25.0 109.999 178.232 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -67.58 -39.13 84.88 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.955 -1.091 . . . . 25.0 110.081 178.333 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -61.82 -41.82 98.26 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.266 0.469 . . . . 25.0 112.266 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.59 -32.98 30.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 179.646 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.625 -0.262 . . . . 25.0 111.535 176.812 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.529 0.204 . . . . 25.0 110.892 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -35.2 80.18 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 122.152 -0.342 . . . . 25.0 110.689 -178.73 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -59.47 -36.14 75.41 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.633 -0.827 . . . . 25.0 110.816 175.869 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.38 -47.15 64.91 Favored Glycine 0 C--O 1.219 -0.816 0 N-CA-C 108.072 -2.011 . . . . 25.0 108.072 175.855 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.09 -37.6 64.44 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 112.363 0.505 . . . . 25.0 112.363 179.442 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -72.06 -40.55 68.24 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.834 -0.541 . . . . 25.0 111.249 178.653 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.06 85.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.184 0.516 . . . . 25.0 109.791 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.7 m -69.65 -28.37 37.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.98 -29.24 65.07 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.97 0.35 . . . . 25.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.11 86.18 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 177.213 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -74.77 -34.35 62.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.692 0.282 . . . . 25.0 110.694 175.838 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.429 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.7 mm-40 -69.94 -45.13 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.118 0.485 . . . . 25.0 111.732 -177.534 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -63.19 -28.29 69.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 178.292 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.09 -51.72 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.589 -0.732 . . . . 25.0 110.783 178.509 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.5 p -63.17 -36.36 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 118.632 0.651 . . . . 25.0 109.447 -176.739 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -63.06 -36.37 83.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.856 -0.611 . . . . 25.0 110.427 177.945 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.36 93.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.597 -0.441 . . . . 25.0 110.354 -179.338 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.12 -34.68 55.76 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 -179.12 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.93 65.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.328 0.585 . . . . 25.0 109.744 179.492 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.98 -42.08 24.62 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 121.276 0.56 . . . . 25.0 109.861 177.041 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.3 mtm -62.25 -27.18 68.83 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 116.347 -0.388 . . . . 25.0 111.842 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.7 p -79.25 -36.06 40.53 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 119.152 -1.019 . . . . 25.0 110.014 -176.401 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -79.93 -29.05 39.66 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.416 -0.514 . . . . 25.0 111.009 177.76 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-N 118.42 0.555 . . . . 25.0 110.885 177.869 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.213 -0.83 0 CA-C-O 121.867 0.842 . . . . 25.0 110.206 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 17.3 t -69.6 -34.23 60.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.593 -0.731 . . . . 25.0 109.913 -178.128 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.2 m -69.59 -37.1 76.78 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 178.707 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.35 -32.04 68.07 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 178.448 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 3.0 tpp -59.74 -33.62 71.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.948 0.404 . . . . 25.0 110.534 178.482 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.54 -31.69 71.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.915 0.388 . . . . 25.0 110.337 178.321 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.22 -36.74 66.54 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 178.082 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.84 -44.39 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 177.404 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.59 -46.12 87.64 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.958 0.408 . . . . 25.0 109.942 178.0 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.13 88.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.231 -0.293 . . . . 25.0 110.723 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.67 -44.4 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.691 179.593 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.36 -43.45 98.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.84 0.829 . . . . 25.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.09 -42.59 98.79 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.361 -0.836 . . . . 25.0 111.086 178.588 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -72.83 -32.23 65.35 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.815 -0.754 . . . . 25.0 111.079 179.051 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 3.1 tpp -62.89 -46.23 88.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 177.028 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 32.2 m -59.16 -44.83 92.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 -177.564 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -67.3 -31.1 71.16 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.23 -0.919 . . . . 25.0 109.787 179.376 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -72.34 -44.42 62.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 178.981 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.78 -32.61 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 113.407 0.892 . . . . 25.0 113.407 -177.065 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 179.159 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 110.515 -0.179 . . . . 25.0 110.515 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -34.31 77.79 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 122.138 -0.351 . . . . 25.0 110.441 179.422 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.6 -31.38 71.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.443 -0.786 . . . . 25.0 110.422 176.68 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.55 46.93 Favored Glycine 0 C--O 1.217 -0.952 0 N-CA-C 108.303 -1.919 . . . . 25.0 108.303 175.089 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.55 -39.51 67.79 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 120.966 0.412 . . . . 25.0 111.358 179.161 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -65.65 -43.17 90.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.197 0.523 . . . . 25.0 111.247 178.462 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.27 79.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.964 0.412 . . . . 25.0 110.612 -178.251 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.5 m -69.71 -29.71 42.09 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.149 -179.562 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.93 65.48 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.127 0.421 . . . . 25.0 111.632 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.24 90.32 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 177.318 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -34.55 67.25 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 120.638 0.256 . . . . 25.0 110.512 176.548 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.445 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.2 mm-40 -67.93 -47.21 69.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.864 0.364 . . . . 25.0 111.966 -179.2 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.15 -26.31 68.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 178.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -52.2 13.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 25.0 110.732 177.108 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.6 p -63.94 -38.71 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 118.788 0.722 . . . . 25.0 110.034 -175.658 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -64.71 -30.62 71.64 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.099 179.097 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.9 96.64 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.287 -0.565 . . . . 25.0 110.077 179.875 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.15 -32.92 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -178.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.98 65.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 178.656 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.19 -43.11 19.79 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.081 0.467 . . . . 25.0 110.493 176.696 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.0 mtm -61.66 -24.96 67.08 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -179.095 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 19.0 p -79.89 -36.4 36.56 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.306 -0.958 . . . . 25.0 110.01 -176.148 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -79.87 -31.48 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.587 -0.445 . . . . 25.0 110.787 176.786 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.452 -0.327 0 O-C-N 121.881 -0.512 . . . . 25.0 110.82 178.34 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 C--O 1.212 -0.887 0 CA-C-O 120.731 0.301 . . . . 25.0 110.891 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 85.2 t -67.69 -31.87 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 121.688 -0.633 . . . . 25.0 109.496 177.447 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.3 m -70.73 -36.06 73.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 178.261 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -72.97 -30.51 63.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 178.889 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.2 tpp -61.08 -31.56 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.399 -0.364 . . . . 25.0 110.999 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.71 -32.11 73.64 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.069 0.462 . . . . 25.0 110.295 178.754 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.92 -35.72 67.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 178.244 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.72 -42.53 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.174 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.18 -45.84 79.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.811 -0.441 . . . . 25.0 109.811 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.26 85.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.648 -0.251 . . . . 25.0 111.306 179.666 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.54 93.82 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.412 -0.358 . . . . 25.0 111.03 -178.605 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.61 -41.61 98.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.757 0.789 . . . . 25.0 110.298 -179.323 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 67.7 mt -60.94 -44.18 97.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.417 -0.81 . . . . 25.0 111.411 178.884 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -73.57 -31.8 63.81 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.703 -0.799 . . . . 25.0 110.962 178.002 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 7.4 tpp -60.63 -42.15 96.31 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 177.263 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 38.5 m -61.81 -37.37 84.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.068 178.704 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -67.97 -44.44 76.7 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 119.534 -0.866 . . . . 25.0 109.555 177.193 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.06 -40.66 94.49 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -178.334 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.7 m -67.7 -33.33 61.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.352 -0.539 . . . . 25.0 111.365 178.62 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 177.225 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 110.514 -0.18 . . . . 25.0 110.514 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 -34.55 78.54 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.513 -0.475 . . . . 25.0 110.236 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.38 -34.17 72.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.732 -0.605 . . . . 25.0 110.97 176.757 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.97 -42.77 36.29 Favored Glycine 0 C--O 1.223 -0.536 0 N-CA-C 108.935 -1.666 . . . . 25.0 108.935 176.243 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.17 -39.11 69.15 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 120.896 0.379 . . . . 25.0 111.307 179.671 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -63.67 -45.59 89.4 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.196 0.522 . . . . 25.0 111.295 178.427 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.69 82.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.429 . . . . 25.0 110.731 -177.891 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.69 -31.3 48.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.514 -178.969 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.48 -34.63 69.24 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.266 0.484 . . . . 25.0 111.492 -179.358 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.64 88.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.903 -0.406 . . . . 25.0 109.903 177.904 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.8 67.24 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.361 -0.212 . . . . 25.0 110.649 177.11 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.431 ' HA ' HG12 ' A' ' 476' ' ' VAL . 41.0 mm-40 -68.9 -45.05 71.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.959 -0.463 . . . . 25.0 112.035 -178.439 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.06 -26.76 68.7 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 178.896 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -52.7 10.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.41 -0.814 . . . . 25.0 111.147 178.046 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.4 p -63.07 -36.69 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 118.57 0.623 . . . . 25.0 110.146 -175.235 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -63.36 -35.18 79.53 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.149 -0.478 . . . . 25.0 110.282 178.549 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.84 95.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.239 -179.353 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -70.69 -35.08 59.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 C-N-CA 120.61 -0.436 . . . . 25.0 109.848 -178.874 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.11 -26.92 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.31 0.576 . . . . 25.0 109.922 179.459 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.35 -43.89 18.4 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-O 120.931 0.396 . . . . 25.0 110.018 177.117 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.2 mtm -59.76 -29.01 67.88 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 120.842 0.353 . . . . 25.0 111.61 -179.3 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.5 p -76.36 -37.19 57.61 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 119.093 -1.043 . . . . 25.0 109.765 -175.999 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -86.13 -19.07 30.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.488 0.921 . . . . 25.0 113.488 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 N--CA 1.446 -0.651 0 CA-C-N 118.302 0.501 . . . . 25.0 111.185 175.403 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--O 1.212 -0.905 0 N-CA-C 110.199 -0.297 . . . . 25.0 110.199 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.46 -35.48 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.001 0.429 . . . . 25.0 110.396 178.092 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.3 m -64.65 -40.48 95.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.953 -0.467 . . . . 25.0 110.717 179.773 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -75.74 -30.39 59.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.401 0.62 . . . . 25.0 110.263 178.796 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.7 ttp -62.73 -42.71 99.8 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 178.484 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.11 -33.06 75.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.243 0.544 . . . . 25.0 110.472 178.82 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.82 -44.69 66.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 25.0 111.09 -179.423 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.64 -33.31 48.53 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 O-C-N 122.32 -0.237 . . . . 25.0 110.564 -179.34 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -57.83 -43.86 86.09 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 175.377 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.16 82.48 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.756 0.312 . . . . 25.0 110.864 178.562 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.58 87.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.699 0.285 . . . . 25.0 110.305 179.265 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.8 -44.07 97.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 178.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.02 -43.28 95.37 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.989 -0.55 . . . . 25.0 112.188 179.339 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -73.41 -32.11 64.25 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.202 -0.999 . . . . 25.0 110.856 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 68.9 mtm -67.93 -32.05 72.23 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.524 -0.735 . . . . 25.0 110.697 175.918 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.8 m -56.16 -41.89 76.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.362 0.265 . . . . 25.0 111.344 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -27.0 64.95 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 118.872 -1.131 . . . . 25.0 111.07 -178.675 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -72.66 -44.99 61.14 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.21 179.295 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.82 -31.71 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 -176.042 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--N 1.319 -0.731 0 N-CA-C 112.152 0.427 . . . . 25.0 112.152 176.691 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 119.779 -0.153 . . . . 25.0 111.31 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.36 -37.27 84.93 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 117.962 0.347 . . . . 25.0 111.335 -178.321 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -60.68 -33.66 73.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.65 -0.656 . . . . 25.0 110.068 176.888 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.45 -47.99 32.41 Favored Glycine 0 C--O 1.215 -1.047 0 N-CA-C 109.035 -1.626 . . . . 25.0 109.035 176.124 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.79 -38.96 65.04 Favored 'General case' 0 C--O 1.209 -1.058 0 C-N-CA 123.037 0.535 . . . . 25.0 112.417 -178.317 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -72.88 -40.13 65.87 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 122.603 1.192 . . . . 25.0 113.648 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.5 92.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 115.119 -0.946 . . . . 25.0 110.153 178.038 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -73.69 -26.58 21.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 CA-C-O 119.339 -0.363 . . . . 25.0 110.51 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.58 -35.66 66.01 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.519 0.6 . . . . 25.0 111.115 -179.419 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.19 89.82 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.809 0.337 . . . . 25.0 110.278 177.025 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.67 -34.44 67.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.677 0.275 . . . . 25.0 110.915 176.966 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.415 ' HA ' HG12 ' A' ' 476' ' ' VAL . 70.7 mm-40 -68.34 -47.62 66.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.009 -0.432 . . . . 25.0 111.695 -179.745 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 8.4 ptm85 -64.37 -26.13 68.33 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.193 -0.603 . . . . 25.0 109.855 178.186 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -50.33 32.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.151 176.736 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.2 p -64.14 -35.31 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 -177.741 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -62.73 -36.9 84.51 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.518 -0.765 . . . . 25.0 109.697 178.05 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.79 92.58 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.113 -0.367 . . . . 25.0 110.678 179.377 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -69.8 -34.23 59.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 O-C-N 121.981 -0.449 . . . . 25.0 109.842 -179.02 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.09 -27.12 65.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.436 0.636 . . . . 25.0 109.337 178.971 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.31 -41.16 22.52 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.202 0.525 . . . . 25.0 110.428 176.829 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.8 mtm -61.55 -28.08 69.08 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 116.286 -0.415 . . . . 25.0 111.539 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.9 p -79.08 -34.7 43.37 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.439 -0.904 . . . . 25.0 110.592 -175.997 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -81.04 -24.17 38.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.803 176.629 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.307 0.575 . . . . 25.0 111.83 176.136 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--O 1.209 -1.034 0 CA-C-O 121.24 0.543 . . . . 25.0 109.656 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.24 -35.13 74.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.068 -0.515 . . . . 25.0 110.641 179.684 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 49.3 m -66.03 -38.71 89.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.823 -0.548 . . . . 25.0 110.334 177.803 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.74 -30.14 59.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.411 0.624 . . . . 25.0 109.91 179.382 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 49.1 ttm -60.49 -40.69 92.21 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 109.079 -0.712 . . . . 25.0 109.079 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.96 -33.92 76.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.932 0.396 . . . . 25.0 110.854 178.77 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.69 -46.78 57.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.808 0.337 . . . . 25.0 111.07 -179.061 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.84 -34.17 63.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 N-CA-C 110.376 -0.231 . . . . 25.0 110.376 -178.958 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -57.37 -44.55 84.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 175.62 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.25 90.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.18 -0.325 . . . . 25.0 110.661 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.23 88.72 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.392 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -62.74 -46.09 89.67 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 178.854 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 51.1 mt -58.42 -41.92 86.06 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 179.435 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -74.78 -32.8 62.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 119.82 -0.752 . . . . 25.0 111.948 176.358 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 60.8 mtm -68.14 -34.37 76.23 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.763 -0.586 . . . . 25.0 110.228 177.748 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.0 m -54.54 -32.7 58.75 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.46 0.648 . . . . 25.0 110.343 178.328 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -66.48 -42.79 86.95 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.746 -0.596 . . . . 25.0 109.884 -178.792 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -72.33 -38.05 68.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.609 -0.885 . . . . 25.0 108.609 -179.313 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.47 -41.62 85.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.161 178.967 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--N 1.323 -0.569 0 CA-C-O 120.865 0.364 . . . . 25.0 110.913 178.489 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 110.264 -0.273 . . . . 25.0 110.264 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -33.88 75.76 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.483 -0.562 . . . . 25.0 109.483 178.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.53 -34.76 73.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.139 -0.624 . . . . 25.0 109.912 174.791 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.27 -44.84 73.42 Favored Glycine 0 C--O 1.218 -0.883 0 N-CA-C 108.697 -1.761 . . . . 25.0 108.697 176.091 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.32 65.88 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.767 0.427 . . . . 25.0 111.586 179.39 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -67.86 -42.13 81.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.037 0.446 . . . . 25.0 111.515 178.426 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.22 79.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.157 0.503 . . . . 25.0 110.574 -178.606 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.27 -26.46 31.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 CA-C-N 116.411 -0.359 . . . . 25.0 110.488 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.14 -32.8 64.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 117.946 0.339 . . . . 25.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.98 89.43 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 177.312 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -34.31 67.08 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 120.571 0.225 . . . . 25.0 110.509 176.623 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.459 ' HA ' HG12 ' A' ' 476' ' ' VAL . 60.7 mm-40 -67.9 -46.52 71.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.092 0.472 . . . . 25.0 112.049 -179.307 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.18 -27.19 69.2 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 178.111 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.27 -51.64 14.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.856 -0.611 . . . . 25.0 111.056 177.333 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.0 p -62.94 -35.71 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 118.8 0.727 . . . . 25.0 109.808 -175.753 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -62.13 -35.79 79.83 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.211 178.693 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.74 95.79 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.25 -33.11 49.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 121.957 -0.464 . . . . 25.0 109.87 -179.296 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.96 65.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 178.567 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -78.97 -44.35 22.6 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 121.022 0.439 . . . . 25.0 109.975 177.59 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.9 mtm -60.68 -31.07 70.33 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 121.301 0.572 . . . . 25.0 111.328 -179.462 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.0 p -77.04 -31.58 56.36 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.785 -0.766 . . . . 25.0 110.614 -174.574 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -85.05 -30.32 24.21 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.36 -0.536 . . . . 25.0 110.992 174.992 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.33 -0.244 0 O-C-N 121.697 -0.627 . . . . 25.0 109.504 178.367 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 26.0 t -74.12 -41.07 51.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.491 -179.369 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.0 m -64.26 -38.37 90.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.043 0.449 . . . . 25.0 110.268 179.183 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -74.72 -24.99 58.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.239 -0.437 . . . . 25.0 110.548 178.403 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 25.9 ttm -64.29 -46.69 82.51 Favored 'General case' 0 C--O 1.215 -0.751 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 177.35 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.12 76.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.981 0.42 . . . . 25.0 110.603 -179.333 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.25 -48.2 68.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 25.0 111.448 -179.829 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.14 -35.48 58.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 C-N-CA 121.1 -0.24 . . . . 25.0 110.614 -178.447 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.76 -47.62 84.03 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 176.759 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.28 93.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.929 0.395 . . . . 25.0 110.211 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.74 75.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.506 -179.1 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.13 -31.08 69.52 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.677 -0.64 . . . . 25.0 110.486 -178.161 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.86 -43.69 95.35 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.002 -0.436 . . . . 25.0 110.728 177.045 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.91 -32.26 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.263 -0.975 . . . . 25.0 109.909 178.244 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.0 tpp -61.79 -40.76 96.34 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 177.317 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 63.4 m -63.91 -37.58 87.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.483 . . . . 25.0 110.081 178.534 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -65.99 -46.76 76.85 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.401 -0.812 . . . . 25.0 109.315 177.471 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.96 -44.23 82.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.115 -178.323 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.2 -35.59 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 113.282 0.845 . . . . 25.0 113.282 179.522 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 70.4 mt . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 178.649 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.998 -0.371 . . . . 25.0 109.998 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -37.47 85.92 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 120.796 -0.361 . . . . 25.0 110.806 -179.349 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -57.53 -38.5 74.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.761 0.709 . . . . 25.0 110.958 177.354 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.25 44.38 Favored Glycine 0 C--O 1.222 -0.655 0 N-CA-C 109.543 -1.423 . . . . 25.0 109.543 176.857 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.26 -38.98 63.52 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -65.3 -47.83 75.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.199 0.523 . . . . 25.0 111.201 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.5 87.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.739 -177.587 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.3 m -70.13 -31.36 47.22 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.039 0 C-N-CA 120.323 -0.551 . . . . 25.0 110.734 -178.57 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.94 71.64 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.582 0.628 . . . . 25.0 111.417 -178.67 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.21 86.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 178.07 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.14 68.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.756 -0.202 . . . . 25.0 110.999 177.604 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.422 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.9 mm-40 -66.22 -46.15 78.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.884 -0.51 . . . . 25.0 111.886 -179.29 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.92 -27.55 69.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -52.57 12.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 25.0 110.867 177.184 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 473' ' ' GLN . 15.0 p -63.02 -36.09 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 118.725 0.693 . . . . 25.0 109.904 -175.293 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -62.88 -35.31 79.57 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.246 178.762 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.37 89.83 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.567 -0.453 . . . . 25.0 110.088 -179.463 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.44 -35.34 66.43 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 N-CA-C 109.803 -0.443 . . . . 25.0 109.803 -178.624 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.41 -26.8 63.66 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.4 mt -81.37 -42.87 19.83 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.996 0.426 . . . . 25.0 110.754 176.291 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 41.5 mtm -59.55 -24.09 63.41 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 115.816 -0.629 . . . . 25.0 111.745 -178.069 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 40.7 p -80.52 -24.23 39.49 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 119.739 -0.784 . . . . 25.0 110.616 -177.859 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.89 -37.16 20.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.797 0.808 . . . . 25.0 108.925 177.875 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--N 1.321 -0.637 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 173.717 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 120.665 0.269 . . . . 25.0 111.508 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.2 -34.4 69.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.664 0.269 . . . . 25.0 110.901 -176.34 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 39.4 m -68.4 -42.44 79.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.066 0.46 . . . . 25.0 110.649 -179.573 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -75.55 -30.29 59.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.079 -0.51 . . . . 25.0 109.654 -179.339 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 64.0 ttp -64.0 -40.67 96.88 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 176.375 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.77 -34.27 77.94 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.94 -0.475 . . . . 25.0 110.536 178.434 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.13 -45.54 66.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.632 0.253 . . . . 25.0 111.378 179.901 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.08 -32.56 48.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.559 -179.21 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.28 -43.63 88.08 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 174.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.86 88.96 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.992 -0.443 . . . . 25.0 110.326 179.33 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.75 -42.82 85.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.285 178.799 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.19 -45.24 95.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.85 -43.62 98.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.25 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -73.75 -33.09 64.15 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.426 -0.909 . . . . 25.0 111.924 178.619 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 70.1 mtm -65.2 -38.0 89.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 108.732 -0.84 . . . . 25.0 108.732 176.077 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 87.9 m -59.27 -38.51 80.29 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.379 -0.601 . . . . 25.0 109.379 176.891 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -65.36 -42.24 93.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.365 -0.835 . . . . 25.0 109.404 179.392 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.91 -44.85 88.21 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.11 0.781 . . . . 25.0 113.11 -178.842 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.58 -33.03 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 120.399 -0.521 . . . . 25.0 111.052 -179.675 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--N 1.322 -0.595 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 176.187 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -39.98 92.12 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 122.219 -0.3 . . . . 25.0 110.218 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.26 -30.13 71.33 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.556 -0.715 . . . . 25.0 110.905 178.169 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.94 -48.22 55.68 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 108.124 -1.99 . . . . 25.0 108.124 175.566 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.81 -38.49 70.04 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.826 0.313 . . . . 25.0 111.45 179.029 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -66.92 -44.98 79.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 25.0 110.617 178.665 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.15 89.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.137 -0.483 . . . . 25.0 110.828 -178.019 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -70.0 -31.44 47.83 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 C-N-CA 120.291 -0.563 . . . . 25.0 109.844 -179.475 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.85 -35.49 73.01 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.643 0.656 . . . . 25.0 111.007 -179.684 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.26 86.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 177.769 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -37.69 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.517 0.199 . . . . 25.0 110.721 177.035 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.407 ' HA ' HG12 ' A' ' 476' ' ' VAL . 42.7 mm-40 -66.02 -45.44 81.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.97 -0.456 . . . . 25.0 111.714 -178.576 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.47 -27.12 68.77 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.393 -0.523 . . . . 25.0 109.63 179.526 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.96 -52.68 12.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.414 177.529 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.4 p -63.58 -36.54 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 118.449 0.568 . . . . 25.0 109.771 -175.629 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -64.67 -32.37 74.01 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.198 -0.456 . . . . 25.0 110.756 178.416 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.73 99.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.585 -0.446 . . . . 25.0 110.085 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.7 -34.27 51.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 N-CA-C 109.392 -0.595 . . . . 25.0 109.392 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.26 -26.83 65.26 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.4 0.619 . . . . 25.0 110.118 179.459 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.0 mt -77.03 -41.82 41.0 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 176.933 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.4 mtm -63.86 -28.37 69.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 41.3 p -78.72 -34.94 45.53 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 119.282 -0.967 . . . . 25.0 110.008 -177.042 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -78.12 -32.84 50.66 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.893 -0.723 . . . . 25.0 110.335 177.086 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--N 1.331 -0.229 0 O-C-N 121.832 -0.543 . . . . 25.0 109.735 178.312 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--O 1.213 -0.868 0 CA-C-O 120.596 0.236 . . . . 25.0 110.545 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.2 -30.05 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 122.032 -0.417 . . . . 25.0 110.825 178.644 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 37.7 m -66.01 -40.69 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.452 -0.78 . . . . 25.0 110.028 179.395 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -75.93 -32.21 59.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.304 0.574 . . . . 25.0 109.622 178.413 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 39.5 ttm -61.8 -37.71 85.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.221 179.229 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -61.78 -31.87 72.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.14 0.495 . . . . 25.0 111.123 179.298 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.48 -36.08 71.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 178.225 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.39 -43.97 87.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 178.349 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -58.63 -45.16 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.627 -0.509 . . . . 25.0 109.627 178.874 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.09 98.94 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.878 -0.514 . . . . 25.0 111.04 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.19 81.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.192 0.441 . . . . 25.0 112.192 -178.371 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.439 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 26.0 pt-20 -70.36 -32.36 70.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.636 -0.826 . . . . 25.0 109.788 -178.631 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.54 -46.07 90.06 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.558 -0.457 . . . . 25.0 109.975 177.802 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -73.62 -36.12 65.41 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.013 -1.075 . . . . 25.0 112.999 -178.262 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 433' ' ' MET . . . . . 0.439 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 21.6 ptp -64.92 -35.89 82.62 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 119.485 -0.886 . . . . 25.0 110.249 -179.812 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 37.7 m -67.48 -37.43 82.88 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -64.73 -43.76 92.36 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.411 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -46.96 87.46 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.544 -0.753 . . . . 25.0 112.351 -179.093 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.8 m -69.53 -38.26 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 120.307 -0.557 . . . . 25.0 111.382 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--O 1.217 -0.63 0 C-N-CA 121.23 -0.188 . . . . 25.0 111.414 179.312 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 111.209 0.077 . . . . 25.0 111.209 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -31.55 72.55 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 121.771 -0.58 . . . . 25.0 110.214 -179.591 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -59.99 -34.94 73.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.901 -0.5 . . . . 25.0 110.161 176.359 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.21 -40.02 56.67 Favored Glycine 0 C--O 1.22 -0.721 0 N-CA-C 109.471 -1.451 . . . . 25.0 109.471 176.526 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.0 71.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.786 0.326 . . . . 25.0 110.939 179.285 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -64.54 -44.22 91.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.179 0.514 . . . . 25.0 111.161 178.355 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.27 -45.33 80.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.354 -178.13 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.2 m -69.8 -28.01 35.4 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.767 -178.691 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.14 70.41 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.807 -0.558 . . . . 25.0 110.879 179.531 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.76 84.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 177.549 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.73 -36.45 67.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.576 0.227 . . . . 25.0 110.917 177.335 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.57 -45.73 78.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.142 0.496 . . . . 25.0 111.659 -179.643 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -65.12 -27.02 68.45 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 119.84 -0.744 . . . . 25.0 109.501 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.75 -49.83 28.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.033 177.06 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.64 -36.73 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 118.707 0.685 . . . . 25.0 109.259 -177.079 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -64.25 -33.6 76.18 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.652 178.382 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.46 99.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.857 -0.527 . . . . 25.0 110.209 179.335 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.61 -34.46 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 179.814 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.68 -25.41 64.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 179.043 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.99 -41.82 22.13 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 121.02 0.438 . . . . 25.0 110.092 176.203 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.0 mtm -60.85 -28.19 68.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.909 0.385 . . . . 25.0 111.737 -179.924 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 37.0 p -76.77 -36.25 57.15 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.635 -0.826 . . . . 25.0 110.756 -176.845 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.8 -29.37 40.28 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.472 -0.491 . . . . 25.0 110.153 176.679 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.463 0.189 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 175.781 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.215 -0.754 0 CA-C-O 120.639 0.257 . . . . 25.0 110.675 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.63 -33.07 57.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.72 0.295 . . . . 25.0 110.473 177.72 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.8 m -66.82 -39.0 87.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.785 -0.572 . . . . 25.0 110.156 179.03 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -73.79 -33.44 64.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.46 0.648 . . . . 25.0 109.32 178.205 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 63.5 ttp -65.35 -33.35 75.77 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 115.968 -0.56 . . . . 25.0 110.365 179.873 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.59 70.64 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.027 0.441 . . . . 25.0 110.867 178.687 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.04 70.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.843 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.99 -42.66 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 178.322 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.41 -44.19 88.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.323 0.582 . . . . 25.0 109.671 178.433 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.0 94.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.808 -0.558 . . . . 25.0 111.059 179.215 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.66 -44.88 80.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.613 -178.516 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -69.76 -31.02 68.74 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.71 -0.796 . . . . 25.0 109.99 -179.108 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.95 -44.19 93.58 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.938 -0.477 . . . . 25.0 111.333 177.695 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.46 -32.22 68.07 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.412 -0.915 . . . . 25.0 110.724 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.4 mtm -67.73 -39.71 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.725 -0.472 . . . . 25.0 109.725 176.565 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.4 m -60.18 -40.58 90.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.078 -0.342 . . . . 25.0 110.078 178.457 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.79 -47.47 84.99 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.591 0.71 . . . . 25.0 109.198 178.357 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.29 -43.69 96.05 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.087 -0.961 . . . . 25.0 113.062 -177.81 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.98 -37.16 66.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 C-N-CA 120.391 -0.523 . . . . 25.0 112.296 -179.151 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 C--N 1.324 -0.543 0 C-N-CA 120.914 -0.314 . . . . 25.0 110.676 178.309 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.426 0 N-CA-C 110.71 -0.107 . . . . 25.0 110.71 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -35.06 79.85 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 122.109 -0.37 . . . . 25.0 111.121 -178.987 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -56.04 -38.06 70.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.336 0.588 . . . . 25.0 110.481 175.865 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.06 -44.54 35.67 Favored Glycine 0 C--O 1.22 -0.734 0 N-CA-C 109.373 -1.491 . . . . 25.0 109.373 177.209 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.13 -39.6 66.62 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 122.443 0.297 . . . . 25.0 111.729 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -65.88 -44.23 85.97 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.007 0.432 . . . . 25.0 111.586 178.836 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.23 85.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.147 0.498 . . . . 25.0 110.36 -178.341 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.57 -27.08 27.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.933 -0.307 . . . . 25.0 110.89 -179.223 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.23 -33.06 67.16 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.989 0.359 . . . . 25.0 111.656 -179.199 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.19 93.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 177.627 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.67 -33.69 66.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.704 0.288 . . . . 25.0 110.588 177.479 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.42 ' HA ' HG12 ' A' ' 476' ' ' VAL . 58.7 mm-40 -70.28 -45.71 65.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.021 -0.425 . . . . 25.0 111.634 -179.17 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -64.46 -27.26 68.87 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 178.604 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.55 -52.39 18.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.821 -0.627 . . . . 25.0 110.567 177.021 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -63.76 -36.75 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 118.63 0.65 . . . . 25.0 109.274 -176.646 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.95 -36.04 82.64 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.018 177.873 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.49 90.35 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.22 -179.445 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.68 -35.77 62.29 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 -179.152 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.95 65.34 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.606 0.717 . . . . 25.0 109.743 179.54 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.55 -41.79 23.5 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 177.479 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 43.4 mtm -61.24 -30.17 70.28 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 120.787 0.327 . . . . 25.0 111.074 179.318 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 28.0 p -75.77 -33.97 60.22 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.445 -0.902 . . . . 25.0 110.277 -175.875 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -83.8 -30.32 26.66 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.353 -0.539 . . . . 25.0 111.769 177.278 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.446 -0.654 0 O-C-N 121.65 -0.656 . . . . 25.0 111.836 179.036 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 . . . . . 0 C--O 1.212 -0.901 0 CA-C-O 120.524 0.202 . . . . 25.0 110.813 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.77 -27.58 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.846 0.355 . . . . 25.0 110.322 -178.329 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.2 m -67.96 -41.23 82.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.896 -0.503 . . . . 25.0 110.324 179.388 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.78 -34.08 60.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.456 0.646 . . . . 25.0 109.363 178.767 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 48.2 ttm -59.22 -44.22 92.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.633 -0.712 . . . . 25.0 109.26 178.674 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.45 80.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.07 0.462 . . . . 25.0 110.283 -179.725 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.81 -46.27 66.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.422 -0.354 . . . . 25.0 111.262 -178.808 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.61 -37.2 68.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 121.018 -0.273 . . . . 25.0 110.6 -178.859 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.77 -43.2 99.31 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.495 -0.557 . . . . 25.0 109.495 177.207 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.6 91.68 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.182 -0.324 . . . . 25.0 110.577 179.011 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.53 86.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.428 179.919 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.95 -47.08 86.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.468 0.651 . . . . 25.0 109.427 179.738 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.64 -41.61 81.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.546 -0.752 . . . . 25.0 112.348 -179.494 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.72 -37.17 56.5 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.232 -0.987 . . . . 25.0 112.858 178.355 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.4 mtm -64.49 -37.84 88.94 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 118.505 0.593 . . . . 25.0 110.535 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 89.8 m -53.85 -32.38 52.79 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 121.221 0.534 . . . . 25.0 111.345 179.803 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -68.23 -43.99 76.69 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.446 -0.784 . . . . 25.0 111.29 -178.836 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -72.15 -32.83 67.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 179.683 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.11 -40.66 88.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.506 -0.77 . . . . 25.0 109.976 176.256 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 53.2 mt . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 111.996 0.369 . . . . 25.0 111.996 178.662 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -35.75 79.2 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.001 -0.437 . . . . 25.0 109.941 179.168 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.35 -31.37 72.51 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.257 -0.902 . . . . 25.0 110.411 176.477 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.64 79.21 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 108.295 -1.922 . . . . 25.0 108.295 175.174 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.47 -40.09 74.3 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 120.736 0.303 . . . . 25.0 111.138 178.121 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -66.03 -41.59 90.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.408 0.623 . . . . 25.0 110.643 178.634 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.09 83.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 25.0 110.64 -178.717 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.4 m -71.22 -27.64 30.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 C-N-CA 120.605 -0.438 . . . . 25.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.24 69.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.297 0.499 . . . . 25.0 110.374 179.45 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.19 83.07 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 176.718 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -75.99 -35.81 59.45 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.714 -0.221 . . . . 25.0 110.782 176.944 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.422 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.0 mm-40 -67.76 -46.32 72.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.911 -0.493 . . . . 25.0 111.822 -179.482 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -63.25 -27.6 69.45 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.165 -0.68 . . . . 25.0 109.165 178.316 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -51.93 16.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.777 177.39 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.0 p -64.12 -38.46 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 118.669 0.668 . . . . 25.0 109.412 -176.044 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -65.51 -34.87 79.28 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.517 -0.31 . . . . 25.0 110.221 178.125 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.76 86.99 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.664 -179.433 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.44 -36.26 60.13 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.563 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 -179.444 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.32 -35.65 72.2 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -179.654 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.4 mt -70.32 -40.35 74.21 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 121.357 0.598 . . . . 25.0 109.451 178.997 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 35.7 mtm -63.72 -23.74 67.49 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.399 -0.52 . . . . 25.0 112.074 179.089 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 81.3 p -82.82 -35.37 26.44 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.642 -0.823 . . . . 25.0 110.664 -178.757 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -78.08 -29.76 49.27 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.323 177.099 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.451 -0.402 0 O-C-N 121.931 -0.481 . . . . 25.0 111.888 178.013 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--O 1.217 -0.638 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.53 -36.15 69.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 178.668 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.4 m -67.92 -39.82 83.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.335 -0.393 . . . . 25.0 110.369 179.354 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -71.0 -33.1 70.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.531 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 3.0 mtm -64.19 -35.8 81.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 178.278 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.23 72.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.935 0.398 . . . . 25.0 109.994 179.301 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.23 -37.5 75.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 177.427 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.29 -45.6 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 177.178 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.83 -43.37 85.78 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 110.247 -0.279 . . . . 25.0 110.247 179.392 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.55 89.73 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.269 -0.269 . . . . 25.0 111.078 179.499 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.03 -41.96 90.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.833 0.349 . . . . 25.0 110.786 179.665 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 430' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 49.5 mt-10 -67.11 -42.96 83.66 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 122.421 1.105 . . . . 25.0 109.994 179.312 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 28.5 mt -58.06 -46.92 84.6 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.35 -1.296 . . . . 25.0 110.32 -179.651 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -73.74 -34.46 64.76 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 179.323 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 433' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 20.5 ptp -66.44 -32.27 73.54 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 118.829 0.74 . . . . 25.0 110.216 -179.594 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 31.3 m -66.98 -33.98 76.76 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.357 -0.537 . . . . 25.0 109.571 -179.185 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -67.93 -41.07 83.16 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 178.387 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -61.0 -45.03 96.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.874 -178.442 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.11 -36.32 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -178.991 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 179.41 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.372 0 N-CA-C 109.716 -0.476 . . . . 25.0 109.716 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -37.42 86.47 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 122.26 -0.275 . . . . 25.0 110.412 179.703 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -60.24 -36.78 78.54 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.4 -0.812 . . . . 25.0 110.419 176.464 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.29 -44.86 73.09 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 109.076 -1.61 . . . . 25.0 109.076 176.028 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.43 -40.03 64.84 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 123.062 0.545 . . . . 25.0 111.848 -179.472 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -65.4 -43.86 89.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.09 0.471 . . . . 25.0 111.5 179.558 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.82 73.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.194 0.521 . . . . 25.0 110.643 -177.966 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.21 -26.49 29.53 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 CA-C-N 116.312 -0.404 . . . . 25.0 110.795 -178.971 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.7 65.68 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.432 0.56 . . . . 25.0 111.224 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.76 86.97 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.644 -0.502 . . . . 25.0 109.644 177.569 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -34.01 66.92 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 116.696 -0.229 . . . . 25.0 110.81 177.149 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.489 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.0 mm-40 -69.43 -46.51 66.63 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 -179.558 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -63.11 -26.53 68.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 178.366 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.23 -52.25 11.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.445 -0.798 . . . . 25.0 111.661 176.621 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.4 p -62.54 -36.01 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 118.86 0.755 . . . . 25.0 110.119 -175.748 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -62.26 -35.5 79.16 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.168 178.458 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.04 97.74 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.678 -0.409 . . . . 25.0 110.091 -179.843 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.2 -34.11 53.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.28 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.591 0.71 . . . . 25.0 109.452 179.477 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.6 mt -78.99 -43.19 24.93 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 176.627 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.4 mtm -61.81 -27.21 68.6 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 116.488 -0.324 . . . . 25.0 111.606 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 32.6 p -78.69 -35.49 44.99 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.655 -0.818 . . . . 25.0 110.394 -176.811 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -79.77 -30.44 40.69 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.275 -0.57 . . . . 25.0 110.277 176.386 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 175.791 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--O 1.214 -0.773 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.04 -35.3 63.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.079 0.466 . . . . 25.0 109.936 178.948 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.5 m -67.84 -38.38 83.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.873 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -72.76 -29.6 63.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.562 . . . . 25.0 110.276 178.909 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 48.4 ttm -59.62 -35.64 74.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.598 0.359 . . . . 25.0 111.369 -179.339 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.68 72.3 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.129 0.49 . . . . 25.0 110.792 178.435 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -74.64 -34.97 62.86 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.778 -0.452 . . . . 25.0 109.778 178.64 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.68 -42.05 91.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 178.48 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.82 -44.44 90.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.042 0.449 . . . . 25.0 110.062 178.31 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.19 90.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.851 0.358 . . . . 25.0 110.566 179.177 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.41 94.77 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.525 179.864 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.35 -44.74 96.66 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 121.718 0.771 . . . . 25.0 109.906 179.406 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.96 -46.63 82.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.208 -0.906 . . . . 25.0 111.647 179.528 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.08 -34.46 64.0 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.012 0.824 . . . . 25.0 113.014 177.386 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 63.0 mtm -65.4 -35.93 82.44 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 121.681 -0.637 . . . . 25.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 92.9 m -53.5 -34.05 56.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.333 0.587 . . . . 25.0 110.841 178.941 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -67.93 -42.34 81.18 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.839 -0.538 . . . . 25.0 110.105 -178.255 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -71.13 -37.76 72.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 -179.826 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.94 -36.96 75.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.79 -1.095 . . . . 25.0 111.848 -179.748 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 50.3 mt . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 179.143 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -35.78 82.2 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.808 -0.442 . . . . 25.0 109.808 179.571 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -60.5 -37.23 80.41 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.769 -0.582 . . . . 25.0 109.579 178.469 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.27 -47.12 46.0 Favored Glycine 0 C--O 1.22 -0.774 0 N-CA-C 109.557 -1.417 . . . . 25.0 109.557 176.559 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.49 63.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -179.631 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -68.76 -43.53 75.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.221 0.534 . . . . 25.0 110.897 178.831 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.53 -44.15 83.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.047 0.451 . . . . 25.0 110.655 -178.131 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.0 m -69.07 -31.4 50.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 120.863 -0.335 . . . . 25.0 110.198 -179.754 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.87 -33.85 67.24 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.211 0.459 . . . . 25.0 111.346 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.6 88.07 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 177.53 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -36.85 67.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.51 0.195 . . . . 25.0 110.624 176.589 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG12 ' A' ' 476' ' ' VAL . 39.4 mm-40 -65.68 -45.66 82.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.952 0.406 . . . . 25.0 111.847 -179.155 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.45 -27.1 68.75 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.801 -0.562 . . . . 25.0 109.492 178.79 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -51.16 17.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.881 -0.599 . . . . 25.0 110.805 177.428 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.8 p -63.03 -36.31 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 118.836 0.743 . . . . 25.0 109.485 -176.15 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -62.49 -36.43 82.49 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.723 -0.671 . . . . 25.0 110.155 178.376 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.4 89.7 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.773 -0.371 . . . . 25.0 110.351 -179.4 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.51 -35.24 60.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 C-N-CA 120.543 -0.463 . . . . 25.0 109.898 -178.874 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.16 -27.82 66.01 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.412 0.625 . . . . 25.0 109.782 179.671 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -78.43 -43.12 28.08 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.259 0.552 . . . . 25.0 110.096 176.486 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.0 mtm -60.8 -26.94 67.66 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.911 -179.055 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.8 p -77.85 -37.67 47.79 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 118.841 -1.144 . . . . 25.0 109.848 -176.145 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -81.65 -23.83 36.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.758 -0.377 . . . . 25.0 111.338 178.625 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.45 -0.458 0 O-C-N 121.767 -0.583 . . . . 25.0 110.061 176.097 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.214 -0.764 0 N-CA-C 112.07 0.396 . . . . 25.0 112.07 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.14 -35.34 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 177.829 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 40.4 m -70.42 -37.56 74.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 177.649 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.39 -34.78 77.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 178.814 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.59 -38.26 86.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.35 75.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.991 0.425 . . . . 25.0 110.064 179.498 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.41 75.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 178.314 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.95 -45.43 91.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.123 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.31 -44.21 95.65 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.039 -0.356 . . . . 25.0 110.039 179.332 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.87 97.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.786 -0.188 . . . . 25.0 110.748 179.444 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.69 98.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.688 -0.233 . . . . 25.0 110.945 -179.666 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.32 -41.58 89.45 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.749 0.785 . . . . 25.0 110.069 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 52.6 mt -62.58 -45.23 93.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.92 -32.71 59.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.545 0.943 . . . . 25.0 113.545 -179.853 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 16.4 ptp -65.08 -35.11 80.12 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 118.725 0.693 . . . . 25.0 110.372 -177.893 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 26.3 m -66.62 -35.59 80.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.359 0.6 . . . . 25.0 109.835 -178.769 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -69.57 -39.05 77.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 178.18 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -63.56 -41.43 98.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.981 -1.009 . . . . 25.0 113.19 -179.4 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 24.5 m -73.97 -33.39 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.324 -0.532 0 N-CA-C 111.52 0.193 . . . . 25.0 111.52 179.366 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.405 0 CA-C-O 120.264 0.078 . . . . 25.0 110.984 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -33.46 75.74 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 122.079 -0.388 . . . . 25.0 110.092 -179.833 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -62.98 -34.34 77.33 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.322 -0.551 . . . . 25.0 110.12 178.062 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.12 -45.27 62.75 Favored Glycine 0 C--O 1.221 -0.7 0 N-CA-C 108.422 -1.871 . . . . 25.0 108.422 175.814 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.98 67.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.398 0.279 . . . . 25.0 111.646 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.43 -46.06 84.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.135 0.493 . . . . 25.0 111.072 178.425 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.67 -44.69 81.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.34 -0.391 . . . . 25.0 110.994 -177.819 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.1 m -69.47 -28.47 38.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.902 0 C-N-CA 120.658 -0.417 . . . . 25.0 110.63 -178.885 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.7 68.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.487 0.585 . . . . 25.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.49 87.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 177.742 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -35.88 67.58 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.705 -0.225 . . . . 25.0 110.777 177.337 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.41 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.5 mm-40 -66.75 -46.54 75.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.933 -0.479 . . . . 25.0 111.781 -179.912 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -64.73 -27.15 68.71 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.096 -0.641 . . . . 25.0 109.517 178.737 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -51.57 20.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.997 176.552 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -62.75 -35.04 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 118.855 0.752 . . . . 25.0 109.808 -176.327 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -62.42 -34.98 77.82 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.664 178.096 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.39 98.78 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.843 -0.343 . . . . 25.0 110.31 179.195 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.91 -34.66 56.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.99 64.1 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.521 0.677 . . . . 25.0 110.053 179.394 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.49 -42.96 33.8 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 121.317 0.579 . . . . 25.0 109.658 176.001 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.6 mtm -62.1 -28.09 69.38 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.129 -0.357 . . . . 25.0 110.991 -179.549 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.9 p -78.7 -15.27 58.68 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.233 -0.587 . . . . 25.0 112.214 -176.426 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -107.69 -26.41 10.85 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.686 0.254 . . . . 25.0 111.686 176.481 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 . . . . . 0 N--CA 1.449 -0.479 0 O-C-N 121.812 -0.555 . . . . 25.0 112.116 177.349 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.086 0.469 . . . . 25.0 110.88 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.73 -30.86 49.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 -177.746 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.9 m -66.0 -39.44 90.3 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.954 -0.466 . . . . 25.0 110.433 178.649 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -72.84 -37.39 67.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.699 0.761 . . . . 25.0 109.248 179.4 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 30.3 ttm -63.21 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.732 -0.667 . . . . 25.0 109.384 -178.733 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.97 74.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.555 . . . . 25.0 109.878 178.815 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.42 75.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 178.977 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.52 -45.79 91.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.292 0.567 . . . . 25.0 109.514 178.047 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.65 -42.24 96.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 179.019 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.33 87.05 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.163 -0.31 . . . . 25.0 110.163 178.59 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.26 92.79 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.966 0.412 . . . . 25.0 110.098 179.612 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -64.12 -44.49 92.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.48 0.657 . . . . 25.0 109.302 179.438 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.77 -42.7 99.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.76 -0.655 . . . . 25.0 111.613 -179.878 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -73.72 -32.04 63.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 119.155 -1.018 . . . . 25.0 112.389 -178.625 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 61.8 mtm -69.11 -35.47 76.46 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.017 0.371 . . . . 25.0 110.381 176.794 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.4 m -54.17 -30.12 48.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.56 0.695 . . . . 25.0 110.706 178.542 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -63.58 -41.66 98.35 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.9 -0.5 . . . . 25.0 111.889 -179.275 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -74.64 -37.29 62.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.311 0.577 . . . . 25.0 109.57 178.465 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.38 -40.48 81.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.636 178.805 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 178.675 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 110.24 -0.282 . . . . 25.0 110.24 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -37.22 86.9 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 120.998 -0.281 . . . . 25.0 110.435 -179.831 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -63.69 -32.27 73.71 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.866 -0.521 . . . . 25.0 110.967 178.155 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -64.63 -46.58 89.6 Favored Glycine 0 C--O 1.219 -0.84 0 N-CA-C 107.703 -2.159 . . . . 25.0 107.703 175.741 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.84 71.11 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 120.693 0.283 . . . . 25.0 111.679 178.677 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -66.63 -43.53 84.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.294 0.569 . . . . 25.0 110.989 178.44 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.33 83.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.257 -0.429 . . . . 25.0 110.672 -178.505 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.85 -27.1 31.86 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 CA-C-O 119.049 -0.5 . . . . 25.0 110.531 -179.656 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.79 74.26 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.732 0.696 . . . . 25.0 110.396 179.449 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.44 87.25 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 178.186 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.8 -32.09 65.3 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.033 -0.53 . . . . 25.0 110.809 178.019 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -69.9 -44.68 69.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.195 -0.316 . . . . 25.0 110.936 -179.666 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -65.99 -27.41 68.12 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.041 -0.664 . . . . 25.0 109.804 177.547 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -50.6 31.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.459 176.956 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.86 -36.63 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.854 -0.738 . . . . 25.0 109.787 -178.521 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -63.94 -35.31 80.25 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.69 177.156 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 478' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 481' ' ' LEU . . . -59.96 -42.61 94.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.928 -0.482 . . . . 25.0 110.592 179.487 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.96 -34.97 52.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -179.49 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.56 -25.59 64.67 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.594 0.711 . . . . 25.0 109.943 178.479 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 481' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 478' ' ' ALA . 15.2 mt -78.08 -41.19 36.13 Favored 'General case' 0 C--O 1.21 -1.005 0 O-C-N 121.734 -0.604 . . . . 25.0 109.538 176.244 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.0 mtm -63.81 -30.04 71.17 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.413 -0.515 . . . . 25.0 111.069 -179.836 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 44.4 p -75.72 -36.94 59.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.113 -0.635 . . . . 25.0 110.412 -177.465 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -79.82 -26.55 40.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.193 -0.603 . . . . 25.0 111.388 176.852 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.329 -0.285 0 O-C-N 121.68 -0.638 . . . . 25.0 110.789 176.449 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 . . . . . 0 C--O 1.213 -0.854 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.22 -33.87 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 175.284 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 40.3 m -69.4 -38.59 78.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.664 -0.647 . . . . 25.0 110.289 179.035 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -71.91 -33.2 68.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.004 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.8 mtp -61.96 -44.85 95.9 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 178.587 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.54 -35.77 80.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.122 0.487 . . . . 25.0 110.562 -177.534 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.08 62.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.115 -0.493 . . . . 25.0 111.528 -179.868 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.5 p -70.97 -36.2 62.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 121.02 -0.272 . . . . 25.0 111.155 -177.333 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -59.46 -47.27 86.14 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 177.095 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.1 94.62 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.054 -0.404 . . . . 25.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.72 75.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.083 -0.508 . . . . 25.0 111.738 -179.3 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.38 -31.17 68.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.434 -0.791 . . . . 25.0 110.301 -178.394 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 30.4 mt -62.68 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.577 -0.449 . . . . 25.0 110.145 178.255 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.67 -35.51 65.22 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.965 -0.694 . . . . 25.0 111.767 178.105 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 65.5 mtm -66.28 -32.3 73.63 Favored 'General case' 0 CA--C 1.514 -0.408 0 O-C-N 122.0 -0.437 . . . . 25.0 110.46 178.777 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.8 m -59.86 -36.8 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 176.905 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -66.98 -43.95 81.69 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.969 -1.123 . . . . 25.0 107.969 179.231 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.67 -45.08 95.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -177.702 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.64 -39.75 78.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.127 0.418 . . . . 25.0 112.127 -178.642 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 122.146 -0.346 . . . . 25.0 111.267 179.463 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 . . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -36.69 79.76 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.44 -178.704 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -65.9 -29.21 69.6 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.389 -0.924 . . . . 25.0 110.627 179.83 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.79 -44.04 40.02 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 107.878 -2.089 . . . . 25.0 107.878 174.444 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.35 64.62 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 122.756 0.423 . . . . 25.0 111.759 179.689 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -66.63 -41.9 87.59 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 178.482 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.84 -46.44 68.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 25.0 110.355 -178.176 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -65.69 -30.72 50.99 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 179.775 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.27 -27.42 55.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 179.88 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.14 93.32 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 176.843 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.86 65.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.91 0.386 . . . . 25.0 110.577 175.829 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.445 ' HA ' HG12 ' A' ' 476' ' ' VAL . 61.9 mm-40 -72.12 -45.78 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.464 0.649 . . . . 25.0 111.788 -176.378 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -63.64 -27.96 69.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 178.006 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.51 -52.86 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.069 -0.514 . . . . 25.0 110.56 177.414 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.9 p -62.1 -35.72 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 121.442 0.639 . . . . 25.0 109.588 -176.53 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -62.71 -37.06 85.03 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.804 -0.634 . . . . 25.0 110.657 178.216 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.64 91.12 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.897 -0.321 . . . . 25.0 110.358 -179.658 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.45 -34.19 47.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 C-N-CA 120.428 -0.509 . . . . 25.0 109.865 -179.87 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.54 -27.2 67.46 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.387 0.613 . . . . 25.0 109.941 -179.922 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.33 -41.55 48.01 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 177.368 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.2 mtm -63.84 -27.41 69.15 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.801 -0.636 . . . . 25.0 111.932 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.1 p -82.31 -34.35 28.65 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.519 -0.872 . . . . 25.0 109.903 -176.448 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -78.88 -26.47 43.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.141 -0.624 . . . . 25.0 110.432 177.096 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.45 -0.447 0 O-C-N 121.831 -0.543 . . . . 25.0 111.744 176.21 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 . . . . . 0 C--O 1.213 -0.864 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.62 -38.2 75.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 121.966 -0.459 . . . . 25.0 109.84 -179.313 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 90.8 p -74.45 -33.6 62.96 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.89 -0.506 . . . . 25.0 111.402 -179.159 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -69.96 -33.98 72.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.445 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 56.4 ttp -71.42 -34.44 70.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.676 . . . . 25.0 109.818 -178.911 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.69 73.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 178.051 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.2 80.35 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 177.381 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.08 -44.42 91.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 177.828 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -58.29 -43.77 88.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.935 0.398 . . . . 25.0 110.197 179.017 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.6 91.62 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.775 0.321 . . . . 25.0 110.906 179.06 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.15 86.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.461 -0.336 . . . . 25.0 110.637 179.413 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.27 -42.18 99.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.32 0.581 . . . . 25.0 109.452 179.462 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 46.8 mt -60.19 -44.17 95.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.911 -0.586 . . . . 25.0 111.196 179.426 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -74.26 -34.57 63.64 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.331 -0.948 . . . . 25.0 113.018 178.644 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.0 mtm -62.62 -37.58 86.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 178.151 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 54.9 m -59.97 -38.79 83.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.762 0.315 . . . . 25.0 110.719 177.944 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -64.75 -48.32 74.99 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 179.394 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -46.22 89.14 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.741 -1.118 . . . . 25.0 113.016 -177.993 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 30.7 m -67.47 -35.65 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 120.53 -0.468 . . . . 25.0 112.177 -179.546 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 70.3 mt . . . . . 0 C--N 1.323 -0.561 0 O-C-N 122.17 -0.331 . . . . 25.0 111.11 178.134 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 110.314 -0.254 . . . . 25.0 110.314 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -33.67 74.31 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 122.004 -0.435 . . . . 25.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -60.75 -35.8 77.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.682 -0.636 . . . . 25.0 109.735 176.11 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.06 -43.66 71.22 Favored Glycine 0 C--O 1.223 -0.584 0 N-CA-C 108.973 -1.651 . . . . 25.0 108.973 175.465 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.34 -39.3 66.97 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 122.681 0.392 . . . . 25.0 111.622 179.706 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -65.2 -44.19 89.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.02 0.438 . . . . 25.0 111.392 178.479 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.77 80.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.232 0.539 . . . . 25.0 110.664 -178.209 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.97 -26.61 30.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.797 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.78 -179.163 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.63 -33.95 66.8 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.137 0.426 . . . . 25.0 111.319 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.14 89.97 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 177.576 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.59 -32.18 65.78 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.703 -0.226 . . . . 25.0 110.771 176.895 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.486 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.0 mm-40 -71.33 -45.53 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.989 -0.445 . . . . 25.0 112.144 -178.525 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.36 -27.08 68.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 178.243 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.27 -52.76 9.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.572 178.122 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.4 p -62.95 -37.06 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 118.57 0.623 . . . . 25.0 110.157 -175.406 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -63.23 -35.85 81.71 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.139 178.465 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.32 -44.74 96.69 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.407 -0.517 . . . . 25.0 109.937 -179.065 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.48 -35.29 61.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.001 -179.068 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.08 62.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.365 0.602 . . . . 25.0 109.601 179.484 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.39 -43.31 19.18 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 121.091 0.472 . . . . 25.0 109.773 177.298 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.3 mtm -60.72 -28.97 69.06 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.935 0.398 . . . . 25.0 111.501 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 25.4 p -77.64 -17.15 58.03 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.231 -0.587 . . . . 25.0 112.266 -175.404 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -103.98 -33.7 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.539 -0.301 . . . . 25.0 110.319 175.999 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.328 -0.356 0 O-C-N 121.814 -0.554 . . . . 25.0 110.162 177.85 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--O 1.213 -0.853 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.86 -33.19 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 178.902 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.3 m -70.66 -37.87 73.74 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 177.18 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -68.01 -33.86 75.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.416 -0.586 . . . . 25.0 109.416 178.471 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 40.8 ttm -61.12 -42.92 99.42 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.725 -0.671 . . . . 25.0 109.942 179.25 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.02 77.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.341 0.591 . . . . 25.0 110.521 -178.537 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.31 -46.75 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.063 -0.517 . . . . 25.0 111.154 -179.213 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.4 p -71.01 -36.09 61.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.241 -177.188 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -54.82 -43.28 72.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.901 0.382 . . . . 25.0 111.117 177.888 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.22 90.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.029 0.442 . . . . 25.0 110.607 179.354 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.33 -41.21 73.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.573 179.42 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -60.27 -40.47 90.48 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.267 0.556 . . . . 25.0 109.808 -179.5 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.23 -47.12 87.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.257 179.951 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.74 -32.2 63.74 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.258 -0.977 . . . . 25.0 112.572 178.983 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 72.3 mtm -66.62 -37.69 85.38 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.962 -0.461 . . . . 25.0 109.808 178.408 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 79.0 m -58.03 -37.52 74.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.259 0.552 . . . . 25.0 110.554 178.281 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -65.58 -45.46 83.17 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.952 0.882 . . . . 25.0 109.089 178.59 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -65.19 -43.19 92.42 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.679 1.363 . . . . 25.0 114.679 -178.032 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 16.1 m -67.35 -28.31 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 112.743 0.646 . . . . 25.0 112.743 -178.438 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 116.011 -0.541 . . . . 25.0 111.98 177.46 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.191 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -35.74 81.99 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 120.746 -0.381 . . . . 25.0 111.648 -177.304 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.17 -27.86 65.9 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.874 -0.73 . . . . 25.0 110.503 178.106 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.15 -40.81 61.15 Favored Glycine 0 C--O 1.221 -0.709 0 N-CA-C 108.112 -1.995 . . . . 25.0 108.112 174.302 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.87 -31.87 51.24 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.207 0.527 . . . . 25.0 111.747 178.34 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -76.36 -38.46 55.78 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.872 -0.518 . . . . 25.0 111.295 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.48 75.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -178.872 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.1 m -67.43 -31.53 53.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 179.573 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.19 -28.46 64.82 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 122.071 -0.393 . . . . 25.0 111.679 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.07 88.94 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 177.04 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.64 -39.16 67.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.087 -0.338 . . . . 25.0 110.087 176.404 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG12 ' A' ' 476' ' ' VAL . 35.3 mm-40 -64.15 -45.97 86.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -179.314 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.79 -27.17 68.71 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.476 -0.765 . . . . 25.0 109.756 178.888 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -51.57 17.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.379 177.39 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 476' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.3 p -62.67 -36.62 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 118.832 0.742 . . . . 25.0 109.181 -176.41 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -62.46 -36.52 82.72 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.704 -0.68 . . . . 25.0 110.09 178.706 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.82 91.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.504 -179.65 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.2 -33.25 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.446 -0.502 . . . . 25.0 109.894 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.71 67.76 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 179.134 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.37 -44.16 37.55 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.389 0.614 . . . . 25.0 109.958 177.448 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.8 mtm -62.21 -26.58 68.44 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 116.136 -0.484 . . . . 25.0 111.681 -179.388 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 21.6 p -81.96 -34.3 29.82 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 119.217 -0.993 . . . . 25.0 109.813 -176.198 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -78.55 -31.89 47.64 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.906 -0.718 . . . . 25.0 110.246 176.665 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 176.542 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 . . . . . 0 C--O 1.215 -0.728 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 88.5 t -62.75 -27.59 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 179.205 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 5.8 m -66.92 -41.63 86.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.175 0.512 . . . . 25.0 111.431 177.903 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.77 -31.07 59.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.695 0.76 . . . . 25.0 108.985 -179.042 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.2 mtp -60.3 -45.4 93.5 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.34 -0.845 . . . . 25.0 109.203 177.806 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.98 74.29 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.977 0.418 . . . . 25.0 111.11 -179.029 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.21 -47.4 61.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.801 0.334 . . . . 25.0 111.16 -179.621 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.85 -34.2 55.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-O 120.756 0.312 . . . . 25.0 110.793 -178.886 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -59.21 -43.8 92.26 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 175.729 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.38 84.14 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.831 0.348 . . . . 25.0 110.419 178.55 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.03 -42.61 84.59 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 116.454 -0.339 . . . . 25.0 110.465 178.798 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.53 -41.11 98.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.701 0.762 . . . . 25.0 109.874 179.401 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.06 -40.7 94.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.512 -0.767 . . . . 25.0 110.493 178.568 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -33.66 64.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 119.657 -0.817 . . . . 25.0 110.446 178.393 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.4 tpp -63.27 -30.25 71.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 25.0 110.81 179.454 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 59.1 m -52.94 -37.34 60.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.935 -0.575 . . . . 25.0 112.41 -179.037 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 28.2 ptt-85 -65.67 -33.14 75.21 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.185 -0.947 . . . . 25.0 111.354 -178.451 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.74 -48.19 22.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 -178.734 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.8 m -63.29 -29.52 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 115.268 1.581 . . . . 25.0 115.268 -174.595 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.416 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -35.47 80.53 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 111.901 0.334 . . . . 25.0 111.901 -175.33 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -60.59 -27.75 67.97 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.831 -0.747 . . . . 25.0 111.518 179.146 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -84.1 -40.92 8.31 Favored Glycine 0 C--O 1.219 -0.783 0 N-CA-C 108.677 -1.769 . . . . 25.0 108.677 174.76 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.1 68.99 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 -179.107 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -64.71 -44.67 89.47 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.211 0.529 . . . . 25.0 111.371 178.605 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.45 83.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.476 -177.854 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.6 m -70.95 -31.28 44.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.408 -179.51 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.55 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.372 0.533 . . . . 25.0 110.885 -179.074 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.64 84.42 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 177.782 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.71 -34.27 67.0 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.557 0.218 . . . . 25.0 111.287 177.872 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -69.44 -42.59 74.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.14 0.495 . . . . 25.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -72.12 -26.17 62.02 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.268 -0.895 . . . . 25.0 109.903 177.519 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -49.8 66.93 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 175.675 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.29 -35.31 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -177.144 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -61.47 -38.38 87.02 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.419 -0.81 . . . . 25.0 109.97 177.689 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.11 93.14 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.14 -0.35 . . . . 25.0 111.062 -179.324 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.3 mp -71.92 -34.05 49.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 120.386 -0.526 . . . . 25.0 109.64 -179.208 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.77 -29.46 66.81 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.524 0.678 . . . . 25.0 109.421 179.644 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.47 -43.26 40.64 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.659 0.742 . . . . 25.0 109.42 177.349 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.5 mtm -62.76 -25.18 68.08 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 116.057 -0.52 . . . . 25.0 112.112 -179.411 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 29.5 p -82.65 -34.16 27.55 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.828 -0.749 . . . . 25.0 110.255 -177.095 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -80.13 -29.52 38.92 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.112 -0.635 . . . . 25.0 110.672 176.404 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.438 -1.026 0 O-C-N 121.618 -0.676 . . . . 25.0 110.607 177.017 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.759 0 CA-C-O 124.608 2.226 . . . . 25.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 99.8 p -78.31 -6.23 54.44 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 112.758 -1.721 . . . . 25.0 111.68 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 62.09 45.21 7.32 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.836 0.854 . . . . 25.0 109.531 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 3.5 t 77.82 -162.89 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.478 1.511 . . . . 25.0 109.876 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -81.79 158.87 23.96 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.411 -0.589 . . . . 25.0 109.411 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.6 m -88.5 146.17 25.33 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.254 -1.387 . . . . 25.0 107.254 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.85 -21.76 63.33 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.411 -0.813 . . . . 25.0 110.906 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.64 -32.3 67.42 Favored Glycine 0 C--O 1.22 -0.731 0 N-CA-C 111.003 -0.839 . . . . 25.0 111.003 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -68.76 -39.45 80.24 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 63.8 t -67.25 -33.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.111 0.482 . . . . 25.0 109.981 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 61.2 m -66.27 -39.51 89.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.857 -0.337 . . . . 25.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.65 -36.12 62.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.711 0.767 . . . . 25.0 109.056 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 61.3 ttp -63.04 -37.23 86.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.739 -0.664 . . . . 25.0 109.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.78 71.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.504 -0.316 . . . . 25.0 110.806 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.69 78.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.01 -43.55 92.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.73 -45.76 85.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.353 . . . . 25.0 110.147 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.44 93.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.693 0.282 . . . . 25.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.19 84.39 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.537 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.85 -42.51 99.78 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.635 0.731 . . . . 25.0 110.328 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.27 -43.05 82.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.082 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -76.15 -32.14 58.94 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.454 -0.898 . . . . 25.0 113.274 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.7 tpp -62.88 -35.11 78.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.045 0.45 . . . . 25.0 110.018 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 73.8 m -57.15 -35.36 69.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.365 0.602 . . . . 25.0 110.169 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -67.02 -42.69 84.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.36 -44.97 93.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.378 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 21.8 m -69.08 -33.68 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.99 -38.95 86.94 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 122.295 -0.253 . . . . 25.0 110.6 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.24 -11.35 60.05 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.255 -0.278 . . . . 25.0 111.597 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -101.68 6.35 41.87 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -87.62 167.59 37.12 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 110.838 -0.905 . . . . 25.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 68.73 160.17 0.18 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 123.133 1.444 . . . . 25.0 111.446 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -132.5 158.41 42.18 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 113.67 -1.605 . . . . 25.0 108.643 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -82.13 12.08 4.61 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.29 -34.38 76.04 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.35 -1.295 . . . . 25.0 110.005 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -116.2 27.72 9.06 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.445 -0.798 . . . . 25.0 109.94 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -113.62 46.53 1.28 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -173.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -67.4 141.05 95.44 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.916 -0.402 . . . . 25.0 109.916 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -77.01 161.84 32.49 Favored 'Trans proline' 0 C--N 1.346 0.423 0 CA-C-O 121.624 0.593 . . . . 25.0 112.516 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -155.92 -37.59 0.02 OUTLIER Glycine 0 C--O 1.228 -0.281 0 CA-C-N 115.686 -0.688 . . . . 25.0 114.65 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.28 125.44 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.924 0.392 . . . . 25.0 110.135 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 58.2 m -150.27 152.0 33.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -165.35 31.8 0.23 Allowed Glycine 0 C--O 1.223 -0.552 0 C-N-CA 120.685 -0.769 . . . . 25.0 113.611 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -140.47 130.23 24.42 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.365 -0.491 . . . . 25.0 110.09 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.7 m -86.06 122.9 30.73 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.031 -0.359 . . . . 25.0 110.031 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -61.85 129.17 39.69 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -105.75 -71.58 0.74 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.964 -0.562 . . . . 25.0 109.927 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -61.71 -27.91 69.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.331 0.586 . . . . 25.0 110.984 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.73 -33.78 79.24 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 115.566 -0.743 . . . . 25.0 111.956 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.59 -39.44 93.73 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 121.945 -0.738 . . . . 25.0 110.208 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -66.13 -35.29 80.09 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.99 -44.42 84.9 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -36.8 84.36 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 122.179 -0.325 . . . . 25.0 110.611 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -59.29 -34.74 72.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.48 -0.763 . . . . 25.0 111.08 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.65 -48.5 55.87 Favored Glycine 0 C--O 1.22 -0.742 0 N-CA-C 108.02 -2.032 . . . . 25.0 108.02 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.33 63.19 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -69.33 -41.78 76.19 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.061 -0.399 . . . . 25.0 111.7 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.37 79.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.325 0.583 . . . . 25.0 110.32 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -69.72 -26.46 30.67 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 CA-C-N 116.224 -0.443 . . . . 25.0 110.705 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.9 -30.56 61.79 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.63 91.69 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -36.47 67.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.448 ' HA ' HG12 ' A' ' 476' ' ' VAL . 72.4 mm-40 -65.82 -47.23 75.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -62.67 -28.16 69.74 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.471 -0.492 . . . . 25.0 109.683 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -51.84 16.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.993 -0.549 . . . . 25.0 110.793 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.2 p -63.23 -35.51 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 118.786 0.721 . . . . 25.0 109.596 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -62.1 -36.18 80.95 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.509 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.91 91.74 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.785 -0.366 . . . . 25.0 110.451 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.52 -32.9 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.473 -0.491 . . . . 25.0 109.817 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.12 67.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.35 0.595 . . . . 25.0 109.47 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.35 -42.96 43.08 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 121.42 0.629 . . . . 25.0 109.615 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -63.28 -26.89 68.99 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.874 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 20.0 p -83.79 -33.6 24.93 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.902 -0.719 . . . . 25.0 109.947 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.88 -25.78 43.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.048 -0.661 . . . . 25.0 110.204 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -81.16 -13.61 58.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.769 -0.582 . . . . 25.0 110.584 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 63.04 27.44 70.45 Favored Glycine 0 C--O 1.229 -0.204 0 N-CA-C 111.418 -0.673 . . . . 25.0 111.418 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 43.25 32.47 0.47 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.087 1.355 . . . . 25.0 113.999 -174.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -90.46 -179.42 5.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.11 -0.95 . . . . 25.0 108.678 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 147.42 -41.58 0.93 Allowed Glycine 0 C--O 1.223 -0.581 0 CA-C-O 121.941 0.745 . . . . 25.0 111.818 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.211 -0.958 0 CA-C-O 124.226 1.965 . . . . 25.0 111.757 178.223 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.117 0 CA-C-O 123.049 1.36 . . . . 25.0 112.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 2.6 m -73.96 40.11 0.12 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.92 1.822 . . . . 25.0 115.92 -176.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 50.43 56.71 7.52 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.193 0.597 . . . . 25.0 111.862 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -37.54 75.65 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 116.358 1.985 . . . . 25.0 116.358 -176.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -162.44 133.46 5.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 19.3 m -141.15 123.23 15.55 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 106.634 -1.617 . . . . 25.0 106.634 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.47 -39.39 87.44 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -171.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -69.97 -45.15 58.55 Favored Glycine 0 C--O 1.218 -0.861 0 C-N-CA 120.031 -1.081 . . . . 25.0 111.05 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -62.95 -39.14 93.73 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 110.281 -0.266 . . . . 25.0 110.281 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.35 -34.71 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 122.226 -0.296 . . . . 25.0 110.392 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.1 m -67.8 -40.51 83.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.813 -0.554 . . . . 25.0 109.782 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -70.66 -32.23 69.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.9 mtp -63.52 -40.97 98.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.946 0.403 . . . . 25.0 110.724 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.35 -33.27 73.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.41 0.624 . . . . 25.0 109.969 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.33 -44.76 64.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.312 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.75 -31.54 51.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 C-N-CA 120.908 -0.317 . . . . 25.0 111.032 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -55.55 -44.25 76.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.43 81.46 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 122.202 -0.311 . . . . 25.0 110.925 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.52 93.02 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.673 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -60.65 -46.62 89.63 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.487 0.66 . . . . 25.0 109.433 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 56.7 mt -57.89 -44.66 86.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.444 -0.798 . . . . 25.0 112.046 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -74.76 -32.94 62.2 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 119.404 -0.919 . . . . 25.0 112.398 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 70.2 mtm -67.67 -33.86 75.77 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.491 0.587 . . . . 25.0 110.25 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 89.9 m -56.48 -36.99 69.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -65.4 -40.16 93.08 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 121.565 -0.709 . . . . 25.0 110.412 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -67.81 -44.32 77.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.735 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.78 -32.34 54.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 77.8 mt -69.12 -19.85 64.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.578 0.228 . . . . 25.0 111.482 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -96.88 -6.57 35.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.707 0.289 . . . . 25.0 111.203 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -88.33 136.63 32.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -174.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -90.86 79.36 1.39 Allowed Glycine 0 C--O 1.23 -0.115 0 N-CA-C 110.197 -1.161 . . . . 25.0 110.197 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -143.7 174.61 10.64 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.784 -1.562 . . . . 25.0 106.784 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -83.05 158.05 22.64 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 107.208 -1.404 . . . . 25.0 107.208 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -126.97 46.57 2.48 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.976 -0.75 . . . . 25.0 108.976 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -72.1 -32.58 67.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -87.82 33.06 0.72 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.521 -0.763 . . . . 25.0 111.566 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -120.83 54.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.17 138.21 91.45 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.932 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -75.49 149.18 34.39 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 118.051 -0.833 . . . . 25.0 113.42 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -159.16 -160.96 10.76 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 108.714 -1.754 . . . . 25.0 108.714 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 12.9 p -79.85 147.0 6.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 106.236 -1.765 . . . . 25.0 106.236 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 33.3 t -146.96 147.07 30.36 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 87.55 154.7 27.29 Favored Glycine 0 C--O 1.226 -0.351 0 N-CA-C 111.28 -0.728 . . . . 25.0 111.28 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -66.6 -19.22 65.72 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.203 0.445 . . . . 25.0 112.203 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 43.4 t -143.19 115.73 8.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.081 0.467 . . . . 25.0 110.09 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -79.62 128.62 33.61 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -110.35 -67.23 1.01 Allowed 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -60.27 -35.38 75.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.069 0.461 . . . . 25.0 111.167 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.56 -33.88 88.44 Favored Glycine 0 C--O 1.222 -0.637 0 C-N-CA 121.111 -0.566 . . . . 25.0 111.895 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -70.87 -41.16 71.74 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 117.698 0.749 . . . . 25.0 109.976 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -63.77 -38.22 90.28 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.88 -0.728 . . . . 25.0 109.289 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.92 74.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.471 -0.331 . . . . 25.0 110.823 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -37.54 87.52 Favored 'General case' 0 C--O 1.211 -0.935 0 C-N-CA 120.796 -0.362 . . . . 25.0 111.39 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.12 -36.56 73.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 118.93 0.786 . . . . 25.0 110.915 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.11 -49.06 42.92 Favored Glycine 0 C--O 1.219 -0.794 0 N-CA-C 108.689 -1.764 . . . . 25.0 108.689 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.26 67.2 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -71.04 -43.82 67.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.103 0.478 . . . . 25.0 110.603 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.33 95.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.12 -33.84 52.68 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.203 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.729 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.34 75.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.06 0.845 . . . . 25.0 111.226 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.85 88.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.78 67.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.798 -0.183 . . . . 25.0 110.562 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.416 ' HA ' HG12 ' A' ' 476' ' ' VAL . 46.1 mm-40 -65.13 -46.47 80.86 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.015 -0.428 . . . . 25.0 111.789 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -64.67 -27.47 68.95 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 109.548 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -53.18 11.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.628 176.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.5 p -63.25 -36.04 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 118.58 0.627 . . . . 25.0 109.906 -175.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -63.76 -33.63 76.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.525 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.13 99.48 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.652 -0.419 . . . . 25.0 109.996 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.73 -34.1 50.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.9 -26.93 64.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.486 0.66 . . . . 25.0 109.843 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.4 mt -78.24 -42.72 30.3 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.4 mtm -62.53 -26.06 68.37 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 111.892 0.33 . . . . 25.0 111.892 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.6 p -79.3 -35.74 40.71 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.413 -0.915 . . . . 25.0 110.467 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -79.94 -32.9 40.0 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.476 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -72.87 -27.35 61.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.925 -0.768 . . . . 25.0 108.925 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -82.4 10.66 54.16 Favored Glycine 0 C--O 1.225 -0.426 0 CA-C-N 115.93 -0.577 . . . . 25.0 112.441 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 51.06 39.06 22.32 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.718 1.207 . . . . 25.0 114.222 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.01 68.47 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.815 0.341 . . . . 25.0 111.318 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -86.65 33.53 3.69 Favored Glycine 0 C--O 1.224 -0.481 0 C-N-CA 121.23 -0.51 . . . . 25.0 112.729 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.485 1.312 0 C-N-CA 126.788 2.035 . . . . 25.0 115.163 -179.859 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 122.906 1.281 . . . . 25.0 112.792 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 88.6 p -154.77 174.3 15.24 Favored 'General case' 0 C--N 1.334 -0.091 0 O-C-N 121.237 -1.155 . . . . 25.0 108.377 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -83.26 110.14 17.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 34.5 p -106.09 0.92 25.89 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -149.57 161.59 41.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.01 130.95 34.38 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.331 1.063 . . . . 25.0 109.587 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.09 -21.69 64.04 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.833 -1.076 . . . . 25.0 110.901 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.53 -33.56 81.72 Favored Glycine 0 C--O 1.22 -0.734 0 C-N-CA 120.617 -0.801 . . . . 25.0 111.431 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.02 -41.52 86.5 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 52.4 t -72.03 -26.28 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.753 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.7 m -67.48 -39.34 85.26 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.577 -0.702 . . . . 25.0 109.538 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -75.84 -31.88 59.54 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.74 -39.28 88.12 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.768 -0.651 . . . . 25.0 109.464 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.25 -32.36 72.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.864 0.364 . . . . 25.0 111.087 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.6 -46.44 59.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.769 0.318 . . . . 25.0 110.614 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.04 -33.12 57.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 C-N-CA 121.112 -0.235 . . . . 25.0 110.438 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.46 -43.53 79.66 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.958 0.408 . . . . 25.0 110.005 175.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.57 87.99 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 122.093 -0.379 . . . . 25.0 110.601 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.78 -42.29 81.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.395 . . . . 25.0 110.278 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -61.85 -43.21 99.32 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.78 -45.79 85.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.128 -0.487 . . . . 25.0 112.098 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.74 -33.61 64.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 119.357 -0.937 . . . . 25.0 111.92 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 72.5 mtm -66.99 -34.63 78.17 Favored 'General case' 0 C--O 1.221 -0.418 0 O-C-N 121.802 -0.561 . . . . 25.0 109.52 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 85.6 m -61.58 -38.56 88.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.64 -38.31 86.64 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.43 -0.582 . . . . 25.0 109.43 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -65.47 -48.54 72.3 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.44 -36.76 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.99 -19.09 63.35 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.195 -0.315 . . . . 25.0 111.637 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -96.89 -2.47 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.443 0.163 . . . . 25.0 110.79 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -99.9 143.76 29.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.395 0.616 . . . . 25.0 111.506 -176.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -163.29 143.54 8.75 Favored Glycine 0 C--O 1.224 -0.512 0 N-CA-C 109.308 -1.517 . . . . 25.0 109.308 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -146.15 29.19 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.377 0.608 . . . . 25.0 109.383 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -132.57 -49.22 0.9 Allowed 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 114.721 1.378 . . . . 25.0 114.721 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 61.86 28.3 17.3 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.251 0.969 . . . . 25.0 111.138 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.69 -28.04 68.78 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.345 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -150.53 83.88 1.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -141.23 30.76 1.76 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.015 -0.993 . . . . 25.0 109.319 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -73.91 130.8 82.48 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 120.4 -0.52 . . . . 25.0 112.008 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -78.03 100.4 1.37 Allowed 'Trans proline' 0 CA--C 1.543 0.925 0 N-CA-C 116.823 1.816 . . . . 25.0 116.823 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -76.81 45.92 2.27 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 115.505 0.962 . . . . 25.0 115.505 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 41.0 t -78.06 93.54 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 121.9 0.857 . . . . 25.0 110.029 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.67 5.99 40.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 115.474 1.657 . . . . 25.0 115.474 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -138.61 138.35 9.39 Favored Glycine 0 C--O 1.224 -0.521 0 C-N-CA 120.934 -0.651 . . . . 25.0 111.823 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -112.35 -58.7 2.1 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.662 0.986 . . . . 25.0 113.662 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 44.5 m -132.78 145.01 50.64 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -176.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -165.45 165.85 18.85 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 103.819 -2.66 . . . . 25.0 103.819 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.57 -76.89 0.6 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.581 0.628 . . . . 25.0 109.327 174.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -70.56 -26.87 63.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.354 0.597 . . . . 25.0 111.086 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.01 -33.76 75.74 Favored Glycine 0 C--O 1.221 -0.71 0 CA-C-N 115.435 -0.802 . . . . 25.0 111.886 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -63.57 -44.84 92.92 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 117.41 0.605 . . . . 25.0 110.222 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -69.91 -35.4 74.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.733 -0.469 . . . . 25.0 109.733 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.82 97.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.928 -0.578 . . . . 25.0 110.062 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -36.27 82.26 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.645 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -60.44 -36.4 78.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.834 0.743 . . . . 25.0 110.28 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.09 -44.76 65.14 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 109.198 -1.561 . . . . 25.0 109.198 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.43 -39.91 64.75 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 122.843 0.457 . . . . 25.0 112.027 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -65.27 -44.2 88.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.084 0.469 . . . . 25.0 111.433 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.5 75.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.157 0.503 . . . . 25.0 110.9 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.0 m -69.79 -26.71 31.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 CA-C-N 116.551 -0.295 . . . . 25.0 110.925 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.11 -34.27 65.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.034 0.379 . . . . 25.0 111.342 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.23 90.3 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.22 67.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.581 0.229 . . . . 25.0 110.516 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.423 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.6 mm-40 -67.55 -46.7 71.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.018 -0.426 . . . . 25.0 111.987 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -63.89 -27.91 69.48 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.468 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -52.09 19.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.887 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.8 p -63.24 -35.9 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 118.642 0.656 . . . . 25.0 109.798 -176.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.57 -35.22 79.79 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.937 -0.574 . . . . 25.0 110.34 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.9 94.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.569 -0.453 . . . . 25.0 110.203 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.11 -34.52 59.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.73 -26.91 64.41 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.311 0.576 . . . . 25.0 109.843 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.0 mt -80.7 -42.25 22.28 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.281 0.562 . . . . 25.0 109.922 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.1 mtm -61.82 -27.56 68.86 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.565 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.8 p -77.93 -34.07 51.4 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 119.458 -0.897 . . . . 25.0 110.628 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -82.25 -27.7 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.366 -0.534 . . . . 25.0 111.317 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -78.8 -37.55 40.53 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.65 -0.656 . . . . 25.0 110.554 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -76.57 8.88 24.9 Favored Glycine 0 C--O 1.223 -0.563 0 N-CA-C 115.244 0.858 . . . . 25.0 115.244 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 487' ' ' ARG . . . . . 0.413 ' HG3' ' H ' ' A' ' 489' ' ' GLY . 38.2 ptt180 -72.46 -13.73 61.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.352 0.576 . . . . 25.0 110.446 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 56.63 11.72 0.94 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' GLY . . . . . 0.413 ' H ' ' HG3' ' A' ' 487' ' ' ARG . . . -79.0 78.85 1.66 Allowed Glycine 0 C--O 1.228 -0.24 0 C-N-CA 121.076 -0.583 . . . . 25.0 111.645 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 C--O 1.209 -1.029 0 CA-C-O 124.836 2.255 . . . . 25.0 111.336 179.008 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.857 0 CA-C-O 124.929 2.405 . . . . 25.0 110.939 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 34.5 t -76.2 104.2 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 112.972 -1.614 . . . . 25.0 109.647 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -98.98 27.78 4.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.413 0.625 . . . . 25.0 109.651 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 22.8 m -76.85 136.27 38.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.483 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -160.15 169.16 23.87 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 104.425 -2.435 . . . . 25.0 104.425 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 52.8 p -118.01 145.74 44.54 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.42 -20.09 59.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.937 -1.028 . . . . 25.0 112.082 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.17 -47.63 79.03 Favored Glycine 0 C--O 1.219 -0.79 0 N-CA-C 110.718 -0.953 . . . . 25.0 110.718 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -59.68 -39.1 83.38 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 109.49 -0.559 . . . . 25.0 109.49 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.75 -34.21 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.896 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.4 m -68.0 -41.65 81.95 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.003 -0.436 . . . . 25.0 110.388 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -73.69 -31.19 63.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.024 0.44 . . . . 25.0 110.031 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 51.4 ttp -64.86 -42.47 94.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.73 76.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.127 0.489 . . . . 25.0 110.584 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.37 75.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.201 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.6 p -71.55 -33.25 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.911 -0.316 . . . . 25.0 110.6 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -57.64 -47.37 82.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 175.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.59 94.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 25.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.45 92.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 25.0 111.737 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 20.3 pt-20 -72.68 -31.26 64.91 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.304 -0.959 . . . . 25.0 110.479 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.36 -47.95 79.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.4 -0.52 . . . . 25.0 110.048 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -71.29 -33.75 70.0 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 119.905 -0.718 . . . . 25.0 112.873 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' MET . . . . . 0.475 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 21.8 ptp -68.1 -33.14 73.96 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.497 -0.881 . . . . 25.0 109.863 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 79.9 m -65.7 -37.7 87.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.195 0.522 . . . . 25.0 109.668 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -65.15 -37.86 88.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.326 -0.859 . . . . 25.0 109.388 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -66.74 -39.68 88.03 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.2 m -77.02 -24.53 15.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.52 0 N-CA-C 114.127 1.158 . . . . 25.0 114.127 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.38 -37.27 80.25 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -81.32 -47.6 13.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.58 0.705 . . . . 25.0 109.596 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . 48.98 -157.27 0.07 Allowed 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 115.705 1.743 . . . . 25.0 115.705 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 144.38 171.37 14.29 Favored Glycine 0 C--O 1.225 -0.427 0 N-CA-C 105.389 -3.084 . . . . 25.0 105.389 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -122.5 65.2 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.442 1.121 . . . . 25.0 111.804 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -74.51 -46.67 37.76 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.451 ' HA ' ' HB3' ' A' ' 447' ' ' ALA . 30.5 mt-30 56.17 25.93 9.68 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 114.495 1.294 . . . . 25.0 114.495 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -32.03 72.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.999 0.904 . . . . 25.0 108.928 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -126.81 18.84 7.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.653 -1.158 . . . . 25.0 113.047 -177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' A' ' 444' ' ' GLN . . . -115.44 42.03 2.35 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.159 0.504 . . . . 25.0 111.409 -175.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -75.62 149.11 83.36 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.903 -0.59 . . . . 25.0 110.016 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.81 166.09 23.84 Favored 'Trans proline' 0 C--N 1.345 0.35 0 CA-C-O 121.254 0.439 . . . . 25.0 112.434 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -118.64 -171.41 15.11 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 109.4 -1.48 . . . . 25.0 109.4 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.59 132.26 33.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.146 -1.027 . . . . 25.0 109.277 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 57.3 p -82.23 164.16 21.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.007 0.432 . . . . 25.0 110.093 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -166.42 178.58 40.85 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 108.967 -1.653 . . . . 25.0 108.967 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -65.74 -22.69 66.62 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 117.212 0.506 . . . . 25.0 111.21 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.1 t -147.76 153.07 38.77 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.562 -2.014 . . . . 25.0 105.562 177.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -157.55 149.44 22.23 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -105.77 -76.77 0.6 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.238 0.542 . . . . 25.0 110.581 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -64.69 -27.93 69.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.712 0.768 . . . . 25.0 110.335 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -58.75 -28.96 63.73 Favored Glycine 0 C--O 1.221 -0.689 0 CA-C-N 115.119 -0.946 . . . . 25.0 112.562 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -68.04 -34.81 77.16 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 117.847 0.823 . . . . 25.0 110.706 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -68.99 -37.75 78.9 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.107 -1.071 . . . . 25.0 108.107 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.66 93.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.112 -0.495 . . . . 25.0 110.432 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -37.64 87.64 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.916 -0.49 . . . . 25.0 109.798 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -65.77 -32.96 74.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.804 -0.56 . . . . 25.0 110.595 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -64.7 -48.8 68.54 Favored Glycine 0 C--O 1.221 -0.678 0 N-CA-C 107.48 -2.248 . . . . 25.0 107.48 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.78 68.56 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.426 0.291 . . . . 25.0 111.698 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -64.29 -46.39 83.83 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.176 0.512 . . . . 25.0 110.602 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.85 73.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.444 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.79 -26.42 32.79 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.83 0 C-N-CA 120.719 -0.392 . . . . 25.0 110.311 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.44 -31.46 65.93 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.253 0.479 . . . . 25.0 111.254 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.14 87.65 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -37.51 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.151 -0.314 . . . . 25.0 110.151 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.443 ' HA ' HG12 ' A' ' 476' ' ' VAL . 67.0 mm-40 -65.67 -47.04 76.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -63.07 -27.9 69.71 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -51.51 16.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.139 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.7 p -63.48 -36.57 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.777 0.717 . . . . 25.0 109.527 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -62.93 -35.9 81.62 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.274 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.58 95.29 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.597 -0.441 . . . . 25.0 110.242 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -71.54 -34.31 52.4 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 O-C-N 122.027 -0.42 . . . . 25.0 109.932 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.67 -26.96 65.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.545 0.688 . . . . 25.0 109.425 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.18 -42.31 23.61 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.6 mtm -61.39 -27.88 68.84 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 120.583 -0.447 . . . . 25.0 112.114 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.7 p -80.72 -35.27 33.71 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.977 -0.689 . . . . 25.0 110.263 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.59 -24.65 39.01 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.31 -0.556 . . . . 25.0 110.374 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.71 -21.89 51.27 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.972 -0.455 . . . . 25.0 110.161 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 63.79 25.55 69.21 Favored Glycine 0 C--O 1.227 -0.291 0 N-CA-C 108.916 -1.674 . . . . 25.0 108.916 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 51.0 22.12 1.14 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.05 1.34 . . . . 25.0 113.834 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -80.15 161.34 25.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -84.25 42.35 3.08 Favored Glycine 0 C--O 1.226 -0.392 0 C-N-CA 121.3 -0.476 . . . . 25.0 112.318 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.208 -1.084 0 CA-C-O 123.896 1.808 . . . . 25.0 112.721 -178.37 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 123.276 1.487 . . . . 25.0 112.78 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 21.0 p -83.48 157.64 22.34 Favored 'General case' 0 C--O 1.222 -0.381 0 O-C-N 120.942 -1.328 . . . . 25.0 109.27 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -117.42 32.33 6.22 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 106.616 -1.624 . . . . 25.0 106.616 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 41.6 m -152.15 154.12 35.21 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 100.771 -3.788 . . . . 25.0 100.771 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -138.12 156.91 47.29 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.409 0.522 . . . . 25.0 112.409 -175.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 2.7 m -90.67 32.92 0.94 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 123.758 0.823 . . . . 25.0 111.163 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 64.18 -42.68 0.27 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 117.419 2.377 . . . . 25.0 117.419 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.6 -26.68 71.08 Favored Glycine 0 C--O 1.221 -0.691 0 N-CA-C 111.094 -0.802 . . . . 25.0 111.094 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.83 -32.1 73.5 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 121.038 0.447 . . . . 25.0 110.299 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 28.0 t -74.16 -29.87 25.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 30.5 m -67.95 -36.68 80.52 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.948 -0.47 . . . . 25.0 109.811 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -74.56 -30.55 61.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.605 0.716 . . . . 25.0 109.58 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.34 -28.99 69.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.191 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.86 74.71 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.988 0.423 . . . . 25.0 110.197 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.52 -36.4 65.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 80.5 t -63.09 -44.66 99.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -56.53 -48.06 78.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.072 0.463 . . . . 25.0 110.819 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.09 97.61 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.465 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.6 -48.1 73.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 25.0 111.997 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.9 -33.06 73.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.588 -0.695 . . . . 25.0 110.23 -177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 35.6 mt -64.24 -46.23 84.68 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.092 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -73.69 -32.31 63.87 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.679 -0.809 . . . . 25.0 111.845 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 51.7 mtm -63.65 -41.74 98.18 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.4 m -57.89 -40.18 79.67 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.269 0.557 . . . . 25.0 110.905 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -64.53 -45.11 88.59 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.41 0.624 . . . . 25.0 109.953 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -64.79 -40.65 95.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.406 -0.815 . . . . 25.0 110.598 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.2 -37.19 72.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 123.983 0.913 . . . . 25.0 111.519 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.63 -22.8 66.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.022 -0.424 . . . . 25.0 111.895 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -93.44 -17.33 23.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.774 0.321 . . . . 25.0 110.933 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -81.95 68.77 8.46 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.246 0.546 . . . . 25.0 110.958 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -75.28 58.64 2.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 116.321 1.288 . . . . 25.0 116.321 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -81.28 99.2 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.387 0.594 . . . . 25.0 109.594 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -67.58 -33.2 74.53 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.173 0.805 . . . . 25.0 113.173 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 60.22 43.58 13.72 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 124.088 0.867 . . . . 25.0 110.735 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -67.97 -27.47 66.62 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.838 0.828 . . . . 25.0 109.947 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.73 24.75 0.09 Allowed 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -177.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -92.73 43.74 1.13 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.157 0.504 . . . . 25.0 112.045 -173.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -68.51 135.42 90.68 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-O 120.993 0.425 . . . . 25.0 111.654 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.9 122.77 5.97 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 115.592 1.343 . . . . 25.0 115.592 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -100.73 52.94 0.91 Allowed Glycine 0 CA--C 1.521 0.451 0 CA-C-N 115.25 -0.886 . . . . 25.0 114.842 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 11.5 p -63.37 130.34 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 117.733 0.767 . . . . 25.0 110.162 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 1.9 m -76.04 -15.19 60.17 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.05 1.87 . . . . 25.0 116.05 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 83.08 -158.87 36.88 Favored Glycine 0 C--O 1.227 -0.321 0 N-CA-C 110.456 -1.058 . . . . 25.0 110.456 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -152.21 -40.72 0.11 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 61.8 m -148.39 163.65 36.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.76 -0.587 . . . . 25.0 110.218 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -151.46 153.6 34.95 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.73 -76.79 0.6 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 174.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -63.38 -25.67 68.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.46 -33.84 83.01 Favored Glycine 0 C--O 1.22 -0.745 0 N-CA-C 111.036 -0.826 . . . . 25.0 111.036 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' GLN . . . . . 0.476 ' HA ' HD23 ' A' ' 463' ' ' LEU . 86.5 mt-30 -66.66 -37.05 84.0 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.996 -0.708 . . . . 25.0 110.091 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 80.9 mmt-85 -65.9 -36.89 84.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.67 78.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.645 -0.707 . . . . 25.0 111.441 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.3 OUTLIER -64.63 -34.03 77.33 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.985 -0.447 . . . . 25.0 110.515 -179.71 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -59.22 -36.29 75.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.164 -0.614 . . . . 25.0 110.017 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.03 -43.07 58.09 Favored Glycine 0 C--O 1.221 -0.683 0 N-CA-C 109.35 -1.5 . . . . 25.0 109.35 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.37 -40.07 64.69 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.85 0.46 . . . . 25.0 111.897 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -64.75 -43.02 94.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.069 0.462 . . . . 25.0 111.97 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.32 68.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.213 0.53 . . . . 25.0 111.009 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.9 m -68.26 -27.28 36.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 116.434 -0.348 . . . . 25.0 110.695 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -54.55 -32.87 59.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 117.739 0.245 . . . . 25.0 111.492 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.61 91.59 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.95 66.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.73 0.3 . . . . 25.0 110.788 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.418 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.3 mm-40 -69.73 -45.65 67.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.085 0.469 . . . . 25.0 111.45 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -64.84 -26.43 68.33 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.96 -0.696 . . . . 25.0 109.392 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -50.63 24.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.582 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 473' ' ' GLN . 9.7 p -63.48 -37.04 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 -177.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -63.37 -36.06 82.45 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.994 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.84 89.51 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.612 -0.435 . . . . 25.0 110.282 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.59 -35.22 65.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.03 -27.71 65.73 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.4 mt -81.23 -43.22 19.55 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.021 0.439 . . . . 25.0 110.568 176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.6 mtm -59.05 -26.43 64.59 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.9 p -77.95 -37.27 47.9 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.062 -1.055 . . . . 25.0 110.038 -176.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -83.71 -24.34 31.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.018 0.377 . . . . 25.0 112.018 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.75 -34.56 24.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 118.213 0.46 . . . . 25.0 111.659 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -74.12 -26.16 69.32 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 121.192 -0.527 . . . . 25.0 113.573 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 42.83 43.46 3.45 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 114.219 1.192 . . . . 25.0 114.219 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.61 168.07 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 -177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 146.6 -37.52 1.2 Allowed Glycine 0 C--O 1.225 -0.463 0 N-CA-C 110.553 -1.019 . . . . 25.0 110.553 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.208 -1.122 0 N-CA-C 114.867 1.432 . . . . 25.0 114.867 178.028 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 CA-C-O 122.414 1.008 . . . . 25.0 112.42 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 21.2 t -76.9 60.34 1.76 Allowed 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.423 -1.045 . . . . 25.0 110.894 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -97.9 14.35 27.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.909 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 18.4 t -157.56 166.44 32.91 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 105.287 -2.116 . . . . 25.0 105.287 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -156.91 165.06 37.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 103.992 -2.596 . . . . 25.0 103.992 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 45.8 t -97.52 143.05 28.62 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.694 1.235 . . . . 25.0 109.541 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.7 -23.8 65.32 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 113.885 -1.507 . . . . 25.0 110.01 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.16 -32.85 69.03 Favored Glycine 0 C--O 1.222 -0.617 0 C-N-CA 120.61 -0.805 . . . . 25.0 111.106 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.42 -41.01 76.92 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 107.972 -1.121 . . . . 25.0 107.972 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.96 -32.91 60.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.819 -0.628 . . . . 25.0 110.405 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 69.7 m -63.29 -41.65 99.0 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.028 -0.42 . . . . 25.0 111.216 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -75.76 -35.26 60.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.611 0.719 . . . . 25.0 109.635 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.3 ttp -62.92 -36.18 82.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.557 . . . . 25.0 110.4 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.36 -31.17 72.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.899 0.38 . . . . 25.0 110.661 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.35 75.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.25 -44.75 87.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.36 -44.33 88.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.136 0.493 . . . . 25.0 109.949 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.91 87.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.501 -0.318 . . . . 25.0 110.409 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.15 84.35 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.99 -45.68 92.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.469 0.652 . . . . 25.0 109.685 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.94 -38.44 91.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.481 0.658 . . . . 25.0 110.372 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -33.36 68.0 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.024 -0.535 . . . . 25.0 110.869 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.4 mtm -71.6 -39.18 70.67 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.143 -0.973 . . . . 25.0 109.536 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 62.1 m -59.34 -43.09 92.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.665 0.269 . . . . 25.0 111.706 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -66.12 -31.29 72.06 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 119.621 -0.832 . . . . 25.0 110.159 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -72.37 -44.57 62.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.946 1.091 . . . . 25.0 113.946 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.97 -30.76 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 112.937 0.718 . . . . 25.0 112.937 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.71 -9.74 52.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.385 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 39.4 m170 -111.5 17.9 19.63 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.324 0.25 . . . . 25.0 110.966 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -126.86 158.42 36.74 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.859 0.361 . . . . 25.0 111.11 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 150.35 165.45 12.65 Favored Glycine 0 C--O 1.226 -0.359 0 C-N-CA 121.418 -0.42 . . . . 25.0 113.189 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -162.42 175.71 11.25 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 100.836 -3.765 . . . . 25.0 100.836 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -124.36 160.43 28.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -152.82 15.74 0.57 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.777 1.275 . . . . 25.0 107.741 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.83 -29.06 60.94 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 113.55 -1.659 . . . . 25.0 110.34 -172.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -121.4 15.19 11.26 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 48.68 51.4 15.7 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 113.849 -1.523 . . . . 25.0 112.843 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -53.74 143.89 37.53 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-O 121.469 0.652 . . . . 25.0 111.945 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.88 166.39 21.3 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 118.124 -0.784 . . . . 25.0 110.916 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -155.77 176.8 33.18 Favored Glycine 0 N--CA 1.434 -1.444 0 N-CA-C 106.709 -2.556 . . . . 25.0 106.709 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.11 134.96 65.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 15.1 m -64.35 144.12 57.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.789 0.328 . . . . 25.0 110.88 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -70.67 161.51 53.76 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.837 -0.697 . . . . 25.0 112.092 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -61.48 138.75 58.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.2 m -70.28 139.41 52.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.33 0.586 . . . . 25.0 112.291 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -67.59 156.92 35.64 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.083 -1.08 . . . . 25.0 108.083 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -104.98 -70.12 0.79 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.307 0.575 . . . . 25.0 111.758 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -61.9 -29.27 70.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -62.74 -33.89 88.13 Favored Glycine 0 C--O 1.223 -0.58 0 N-CA-C 111.218 -0.753 . . . . 25.0 111.218 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.8 -39.55 80.03 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 122.195 -0.591 . . . . 25.0 109.545 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -64.58 -38.85 92.44 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.1 78.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.812 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -36.9 85.47 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 120.713 -0.395 . . . . 25.0 111.075 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -62.0 -34.46 76.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.607 -0.683 . . . . 25.0 110.343 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.8 -48.18 62.8 Favored Glycine 0 C--O 1.218 -0.86 0 N-CA-C 108.106 -1.998 . . . . 25.0 108.106 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.72 65.07 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -67.12 -45.62 76.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.23 0.538 . . . . 25.0 111.092 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.28 84.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.011 0.434 . . . . 25.0 110.92 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.44 -31.33 50.84 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 C-N-CA 120.811 -0.355 . . . . 25.0 110.337 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.22 66.7 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.188 0.449 . . . . 25.0 111.547 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.03 89.61 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.938 0.399 . . . . 25.0 109.972 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.78 -34.01 66.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.325 -0.235 . . . . 25.0 110.596 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.44 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.1 mm-40 -68.66 -45.97 70.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.955 -0.466 . . . . 25.0 111.57 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.4 -27.3 69.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -52.32 13.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.774 -0.648 . . . . 25.0 110.783 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.2 p -63.37 -36.7 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 118.694 0.679 . . . . 25.0 109.551 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -63.36 -35.88 81.87 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.987 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.67 87.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.047 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -69.37 -35.81 69.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.55 -0.46 . . . . 25.0 109.769 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.66 -27.14 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.781 -0.451 . . . . 25.0 109.781 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.38 -43.08 19.52 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.905 0.383 . . . . 25.0 111.164 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.6 mtm -59.22 -24.04 62.81 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 115.972 -0.558 . . . . 25.0 112.06 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.2 p -78.74 -31.22 46.21 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.464 -0.894 . . . . 25.0 109.685 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -79.52 -39.86 30.98 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.818 0.818 . . . . 25.0 109.059 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -69.02 -12.26 61.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.798 -1.092 . . . . 25.0 109.254 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -69.93 -26.44 74.34 Favored Glycine 0 C--O 1.228 -0.246 0 N-CA-C 111.158 -0.777 . . . . 25.0 111.158 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 43.52 41.1 3.16 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.0 1.111 . . . . 25.0 114.0 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -140.4 174.05 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 148.33 -38.77 1.01 Allowed Glycine 0 C--O 1.222 -0.6 0 N-CA-C 110.148 -1.181 . . . . 25.0 110.148 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.108 0 CA-C-O 123.85 1.786 . . . . 25.0 113.584 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 CA-C-O 122.842 1.246 . . . . 25.0 112.78 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 42.4 t -153.61 157.22 39.34 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.564 -1.273 . . . . 25.0 107.564 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -128.44 111.33 13.19 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 49.3 m -85.61 146.51 26.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 106.087 -1.82 . . . . 25.0 106.087 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -138.12 141.35 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.5 m -89.39 33.74 0.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 63.49 -42.98 0.23 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 117.198 2.296 . . . . 25.0 117.198 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.64 -26.41 70.94 Favored Glycine 0 C--O 1.218 -0.846 0 N-CA-C 110.382 -1.087 . . . . 25.0 110.382 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.65 -30.14 71.16 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.485 -0.358 . . . . 25.0 110.658 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.5 t -74.25 -35.11 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.3 m -68.87 -36.53 78.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.92 0.391 . . . . 25.0 110.189 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.96 -34.59 75.59 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.338 -0.616 . . . . 25.0 109.338 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 35.0 ttm -60.55 -39.33 87.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.122 0.487 . . . . 25.0 110.366 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.77 -30.07 69.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.562 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.75 -36.81 73.3 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.65 -45.14 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.715 -0.846 . . . . 25.0 108.715 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.84 -44.01 90.86 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.99 91.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.338 -0.226 . . . . 25.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.95 87.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.743 0.306 . . . . 25.0 110.766 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.06 -41.63 97.29 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.556 0.693 . . . . 25.0 109.645 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.47 -47.28 82.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.576 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -69.39 -32.22 71.1 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.642 -0.823 . . . . 25.0 111.328 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 64.7 mtm -64.79 -42.2 95.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 46.0 m -62.76 -39.72 95.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.943 0.402 . . . . 25.0 110.343 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -65.37 -41.03 94.23 Favored 'General case' 0 CA--C 1.511 -0.555 0 O-C-N 121.266 -0.896 . . . . 25.0 110.24 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.49 -47.74 84.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.531 -0.759 . . . . 25.0 112.23 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.81 -37.58 79.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.662 -0.415 . . . . 25.0 112.001 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.5 -44.4 87.13 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.249 -0.282 . . . . 25.0 111.438 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -69.37 -29.18 66.9 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.975 0.361 . . . . 25.0 111.975 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -73.98 -27.93 61.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.802 0.334 . . . . 25.0 110.219 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -85.24 -37.08 10.15 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 121.008 -0.615 . . . . 25.0 114.45 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -161.91 174.5 13.02 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 122.167 0.984 . . . . 25.0 108.466 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -112.89 153.03 28.58 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.18 -1.373 . . . . 25.0 107.866 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -120.22 25.42 9.87 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -62.79 -28.5 70.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 113.978 -1.464 . . . . 25.0 110.127 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -147.41 53.98 1.07 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 -177.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -116.45 46.45 1.6 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.734 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.57 146.32 98.98 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 119.747 -0.781 . . . . 25.0 110.599 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.17 175.03 10.17 Favored 'Trans proline' 0 C--N 1.345 0.382 0 CA-C-O 120.978 0.324 . . . . 25.0 112.133 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -74.55 81.95 0.83 Allowed Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.025 -1.23 . . . . 25.0 110.025 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 12.5 p -57.63 142.39 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 122.03 0.919 . . . . 25.0 111.489 -177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 66.2 m -131.62 163.0 29.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -157.06 -160.12 9.91 Favored Glycine 0 C--O 1.229 -0.2 0 C-N-CA 120.861 -0.685 . . . . 25.0 111.457 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -59.63 125.8 25.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -28.01 66.75 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -177.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -154.23 112.32 3.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -101.11 -67.92 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 173.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -62.47 -28.82 70.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.683 0.754 . . . . 25.0 110.446 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.9 -28.88 66.65 Favored Glycine 0 C--O 1.219 -0.786 0 CA-C-N 115.133 -0.94 . . . . 25.0 112.883 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' GLN . . . . . 0.432 ' HA ' HD23 ' A' ' 463' ' ' LEU . 82.4 mt-30 -63.6 -38.72 92.19 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 117.761 0.781 . . . . 25.0 110.653 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -72.66 -36.08 67.86 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.63 95.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.575 -0.739 . . . . 25.0 111.076 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.4 OUTLIER -64.31 -36.45 84.15 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 122.041 -0.412 . . . . 25.0 110.531 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -64.16 -35.27 80.22 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.177 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.36 -43.72 77.48 Favored Glycine 0 C--O 1.216 -1.026 0 N-CA-C 108.783 -1.727 . . . . 25.0 108.783 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.77 -35.83 66.68 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 122.671 0.388 . . . . 25.0 111.561 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -72.42 -41.26 66.42 Favored 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.96 89.29 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.188 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.33 -27.91 36.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 N-CA-C 110.234 -0.284 . . . . 25.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.09 -31.41 67.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.233 0.469 . . . . 25.0 111.507 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.02 89.54 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.97 66.97 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 120.643 0.259 . . . . 25.0 110.351 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.453 ' HA ' HG12 ' A' ' 476' ' ' VAL . 68.6 mm-40 -67.15 -46.13 74.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.37 -27.55 69.15 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.27 -52.32 10.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.596 -0.729 . . . . 25.0 111.219 178.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.3 p -63.44 -36.46 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 118.55 0.614 . . . . 25.0 110.263 -175.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -63.57 -33.73 76.24 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.34 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.9 96.17 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.465 -0.494 . . . . 25.0 109.997 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.06 -32.77 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.72 -27.64 65.09 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.34 -43.78 18.56 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.103 0.478 . . . . 25.0 110.088 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.1 mtm -61.03 -26.87 67.92 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 120.886 0.374 . . . . 25.0 111.753 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.1 p -80.23 -33.69 37.83 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 119.684 -0.806 . . . . 25.0 110.567 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -81.7 -27.14 34.1 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.147 -0.621 . . . . 25.0 111.007 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -79.35 -33.74 42.74 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 121.811 -0.556 . . . . 25.0 110.936 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -67.7 -20.85 72.52 Favored Glycine 0 C--O 1.221 -0.674 0 C-N-CA 121.509 -0.377 . . . . 25.0 113.984 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -96.06 8.88 42.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 53.9 43.37 30.98 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.014 0.821 . . . . 25.0 112.09 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -79.01 55.15 4.28 Favored Glycine 0 C--O 1.229 -0.213 0 CA-C-O 121.49 0.494 . . . . 25.0 113.129 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.21 -0.99 0 CA-C-O 123.642 1.687 . . . . 25.0 113.628 -177.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 123.094 1.385 . . . . 25.0 113.056 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 19.2 m -69.87 152.67 44.25 Favored 'General case' 0 C--N 1.334 -0.082 0 O-C-N 121.363 -1.08 . . . . 25.0 110.632 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.46 163.52 29.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.559 -1.645 . . . . 25.0 106.559 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 58.0 p -147.78 153.54 39.35 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -162.75 168.64 21.19 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 102.269 -3.234 . . . . 25.0 102.269 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.3 m -97.47 135.31 39.52 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.86 -27.58 69.26 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.536 -0.756 . . . . 25.0 111.851 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.98 -30.11 73.94 Favored Glycine 0 C--O 1.219 -0.808 0 C-N-CA 120.583 -0.818 . . . . 25.0 112.307 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.43 -36.76 84.9 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 45.1 t -71.55 -30.38 38.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.865 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.8 m -64.66 -41.47 96.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.716 -0.615 . . . . 25.0 109.829 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -74.82 -31.25 61.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.054 -0.521 . . . . 25.0 109.761 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 41.6 ttm -62.12 -44.21 97.13 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.6 -34.58 78.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.021 0.439 . . . . 25.0 110.664 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.17 75.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.511 -0.313 . . . . 25.0 111.223 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.43 -35.49 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.807 0.337 . . . . 25.0 110.516 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -60.36 -42.82 96.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.826 -0.435 . . . . 25.0 109.826 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.79 -37.38 87.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.708 0.29 . . . . 25.0 110.729 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.12 84.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.389 -0.369 . . . . 25.0 110.344 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.47 -42.47 99.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.944 0.878 . . . . 25.0 109.634 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 40.6 mt -59.67 -43.21 94.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.846 . . . . 25.0 111.615 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -73.71 -32.07 63.72 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.611 -0.835 . . . . 25.0 111.932 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.9 tpp -61.66 -38.53 88.07 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 176.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 50.2 m -60.66 -36.77 79.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.303 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -66.39 -44.54 82.77 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.337 -0.986 . . . . 25.0 108.337 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.56 -45.28 92.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.093 -0.958 . . . . 25.0 112.443 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.97 -35.89 66.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 71.7 mt -66.8 -41.15 88.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.188 -0.32 . . . . 25.0 111.366 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -75.95 -11.76 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.26 -11.24 59.88 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.261 0.467 . . . . 25.0 112.261 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -118.56 142.04 16.56 Favored Glycine 0 C--O 1.225 -0.417 0 C-N-CA 121.203 -0.522 . . . . 25.0 113.396 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -155.35 151.25 27.69 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 105.771 -1.937 . . . . 25.0 105.771 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -82.28 133.93 35.26 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 447' ' ' ALA . 35.8 mt-30 -87.67 62.37 6.99 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 20.8 t0 64.13 -61.47 0.18 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.615 1.566 . . . . 25.0 114.053 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -160.54 19.26 0.14 Allowed 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 122.348 1.07 . . . . 25.0 112.119 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 444' ' ' GLN . . . -96.56 46.82 1.06 Allowed 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.694 -0.629 . . . . 25.0 111.906 -175.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.51 142.14 73.95 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 107.828 -1.175 . . . . 25.0 107.828 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -75.9 -11.65 19.87 Favored 'Trans proline' 0 C--N 1.347 0.451 0 N-CA-C 113.396 0.499 . . . . 25.0 113.396 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 178.85 144.36 5.67 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 105.678 -2.969 . . . . 25.0 105.678 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.85 120.53 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.637 0.718 . . . . 25.0 109.901 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 17.3 m 55.6 21.84 4.8 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.399 -0.819 . . . . 25.0 113.14 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 67.93 17.43 69.56 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.558 -0.353 . . . . 25.0 113.353 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -117.35 162.93 17.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.404 0.621 . . . . 25.0 111.034 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 27.9 m -61.06 121.14 11.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.736 -0.665 . . . . 25.0 109.639 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -60.33 135.24 57.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -92.93 -67.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 175.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -63.4 -31.32 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.902 0.858 . . . . 25.0 113.04 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.14 -33.81 65.42 Favored Glycine 0 C--O 1.22 -0.779 0 CA-C-N 114.301 -1.318 . . . . 25.0 112.348 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -65.08 -44.07 90.11 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.976 -0.72 . . . . 25.0 110.24 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -65.98 -35.02 79.44 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.5 87.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.936 -0.575 . . . . 25.0 109.901 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -38.44 84.45 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 120.171 -0.612 . . . . 25.0 110.318 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.56 -35.6 76.43 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.737 -0.602 . . . . 25.0 110.131 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.6 -47.37 62.5 Favored Glycine 0 C--O 1.221 -0.657 0 N-CA-C 109.223 -1.551 . . . . 25.0 109.223 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.31 -39.42 64.02 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.845 0.458 . . . . 25.0 112.125 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -66.18 -44.11 84.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.166 0.508 . . . . 25.0 111.057 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.81 69.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.006 0.431 . . . . 25.0 111.601 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 24.0 m -66.49 -26.58 37.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 116.636 -0.256 . . . . 25.0 110.403 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.11 61.17 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.355 -0.215 . . . . 25.0 111.489 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.19 -37.71 84.13 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.88 0.371 . . . . 25.0 110.108 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.77 -31.77 65.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.662 0.268 . . . . 25.0 110.756 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.446 ' HA ' HG12 ' A' ' 476' ' ' VAL . 47.2 mm-40 -72.02 -45.76 59.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.384 0.612 . . . . 25.0 111.772 -176.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -63.22 -27.55 69.43 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.17 -52.71 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.001 -0.545 . . . . 25.0 111.16 177.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.7 p -62.74 -36.21 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 118.735 0.698 . . . . 25.0 109.72 -175.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -62.79 -36.61 83.69 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.884 -0.598 . . . . 25.0 110.408 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.23 91.07 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.699 -0.401 . . . . 25.0 110.479 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -71.54 -35.29 55.87 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 C-N-CA 120.397 -0.521 . . . . 25.0 109.84 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.6 66.29 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.441 0.638 . . . . 25.0 110.054 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.49 -41.8 38.08 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 121.321 0.582 . . . . 25.0 109.867 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.0 mtm -62.91 -28.29 69.95 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 116.189 -0.46 . . . . 25.0 111.601 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.3 p -80.39 -34.76 36.08 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.671 -0.811 . . . . 25.0 110.114 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -81.47 -23.56 37.34 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.977 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -79.29 -27.24 42.21 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 121.669 -0.644 . . . . 25.0 110.924 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 73.18 -4.63 23.98 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-O 121.414 0.452 . . . . 25.0 113.69 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.74 2.18 8.83 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.86 71.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 75.21 -66.95 2.18 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-O 122.374 0.986 . . . . 25.0 112.579 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--O 1.214 -0.797 0 CA-C-O 123.695 1.712 . . . . 25.0 112.684 -178.642 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.88 0 CA-C-O 124.648 2.249 . . . . 25.0 111.035 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 23.0 p -66.21 -31.51 72.39 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 112.785 -1.708 . . . . 25.0 111.602 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -158.57 130.37 6.65 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 176.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 34.1 t -154.93 156.25 35.73 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 104.739 -2.319 . . . . 25.0 104.739 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -163.33 153.02 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.5 m -117.41 43.1 2.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.007 0.432 . . . . 25.0 110.235 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 63.73 -46.81 0.26 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 117.098 2.259 . . . . 25.0 117.098 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.61 -33.27 86.78 Favored Glycine 0 C--O 1.218 -0.867 0 N-CA-C 108.009 -2.037 . . . . 25.0 108.009 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.39 -36.58 71.45 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 114.821 -0.689 . . . . 25.0 110.302 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.8 -36.08 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.9 m -68.67 -40.55 80.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.66 0.267 . . . . 25.0 110.636 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -70.57 -34.67 72.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.5 ttp -66.54 -31.82 72.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.953 0.406 . . . . 25.0 109.939 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.81 69.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.925 -0.484 . . . . 25.0 109.737 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.45 -34.96 70.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.03 -44.03 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.1 -44.9 92.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.689 -0.485 . . . . 25.0 109.689 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.34 91.53 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.181 -0.324 . . . . 25.0 110.46 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.26 -44.77 87.05 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.553 -0.294 . . . . 25.0 110.219 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.86 -45.4 94.66 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 121.606 0.717 . . . . 25.0 109.512 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.5 -44.16 97.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.643 -0.708 . . . . 25.0 111.622 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -75.74 -35.28 60.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.338 -0.945 . . . . 25.0 112.784 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 67.6 mtm -62.48 -38.77 91.13 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 118.34 0.518 . . . . 25.0 110.17 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.0 m -53.03 -35.34 59.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.543 0.687 . . . . 25.0 110.718 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -66.98 -38.34 85.86 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.767 -0.583 . . . . 25.0 112.328 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -76.96 -39.03 52.05 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.55 -40.21 67.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 123.39 0.676 . . . . 25.0 111.599 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 47.4 mt -63.63 -20.03 65.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -118.43 14.2 13.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -146.8 -44.57 0.18 Allowed 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 113.815 1.042 . . . . 25.0 113.815 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -89.77 -35.1 7.95 Favored Glycine 0 C--O 1.218 -0.887 0 C-N-CA 121.213 -0.518 . . . . 25.0 113.477 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 52.44 70.16 0.6 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.691 0.757 . . . . 25.0 112.727 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 61.06 -148.77 0.42 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.928 1.291 . . . . 25.0 112.965 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -141.87 26.99 1.85 Allowed 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.042 0.537 . . . . 25.0 110.087 -176.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.05 -29.0 69.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.976 -0.556 . . . . 25.0 110.379 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -128.37 31.21 5.06 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.002 0.43 . . . . 25.0 110.541 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -112.18 46.24 1.18 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -69.67 149.15 96.87 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-O 121.016 0.436 . . . . 25.0 111.375 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.6 167.71 23.74 Favored 'Trans proline' 0 C--N 1.347 0.484 0 CA-C-O 121.453 0.522 . . . . 25.0 112.795 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -91.6 -160.3 36.16 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 122.496 1.053 . . . . 25.0 112.553 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 8.8 p -120.91 157.79 23.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 68.3 m -131.55 162.07 31.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 131.91 64.65 0.09 OUTLIER Glycine 0 C--O 1.221 -0.671 0 O-C-N 123.282 0.363 . . . . 25.0 113.17 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.15 38.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 78.4 p -73.92 -23.91 59.6 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 43.34 51.35 5.93 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -51.18 -45.08 61.65 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -176.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -61.96 -38.51 88.81 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.663 -0.648 . . . . 25.0 112.665 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -69.79 -34.35 71.94 Favored Glycine 0 C--O 1.22 -0.721 0 N-CA-C 110.844 -0.902 . . . . 25.0 110.844 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.58 -46.74 81.41 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -63.82 -37.5 87.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.483 -0.487 . . . . 25.0 110.141 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.68 87.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.912 -0.403 . . . . 25.0 109.912 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -38.57 86.49 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-O 119.116 -0.468 . . . . 25.0 110.906 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -54.97 -39.52 69.07 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.1 0.863 . . . . 25.0 110.44 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.87 -50.02 25.95 Favored Glycine 0 C--O 1.218 -0.883 0 N-CA-C 109.895 -1.282 . . . . 25.0 109.895 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.21 66.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -71.61 -43.18 66.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.05 0.452 . . . . 25.0 110.109 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.26 87.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.939 0.4 . . . . 25.0 110.142 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.2 m -70.44 -28.68 35.9 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.297 0 C-N-CA 120.464 -0.494 . . . . 25.0 110.402 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.26 -36.16 72.82 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.028 0.831 . . . . 25.0 110.693 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.37 87.38 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.78 65.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.631 -0.259 . . . . 25.0 110.96 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.468 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.6 mm-40 -71.1 -45.81 62.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.88 -0.512 . . . . 25.0 111.352 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -63.29 -27.7 69.51 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.26 -52.44 13.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.946 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.8 p -63.4 -35.32 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 O-C-N 121.627 -0.671 . . . . 25.0 109.46 -176.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -62.68 -36.77 83.97 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.233 -0.44 . . . . 25.0 110.553 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.3 96.52 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.571 -0.451 . . . . 25.0 109.821 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.3 mt -72.17 -34.46 49.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.35 -26.98 65.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.364 0.602 . . . . 25.0 109.75 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.8 mt -77.05 -43.1 35.75 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.7 mtm -62.32 -28.93 70.09 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 122.099 -0.376 . . . . 25.0 111.298 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.5 p -80.31 -12.34 59.61 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.296 -0.562 . . . . 25.0 112.074 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -108.97 -33.64 6.85 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 111.768 0.285 . . . . 25.0 111.768 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -78.36 -32.75 49.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.614 -0.679 . . . . 25.0 110.135 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -78.36 -0.55 78.65 Favored Glycine 0 C--O 1.225 -0.453 0 N-CA-C 111.453 -0.659 . . . . 25.0 111.453 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -134.03 29.78 3.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -62.37 130.38 45.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.154 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -163.32 39.2 0.33 Allowed Glycine 0 C--O 1.219 -0.821 0 N-CA-C 111.022 -0.831 . . . . 25.0 111.022 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.209 -1.069 0 CA-C-O 123.693 1.711 . . . . 25.0 112.7 -178.498 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 CA-C-O 122.136 0.854 . . . . 25.0 111.844 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 19.8 m -66.88 129.72 40.82 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 120.734 -1.451 . . . . 25.0 109.392 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -125.38 18.26 8.23 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.338 0.589 . . . . 25.0 109.575 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 42.6 t -86.08 150.36 24.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 103.838 -2.653 . . . . 25.0 103.838 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -131.36 144.32 51.15 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.3 m -91.99 32.81 1.1 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.708 0.803 . . . . 25.0 112.122 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.18 -53.96 0.19 Allowed 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 117.244 2.313 . . . . 25.0 117.244 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.2 -29.43 75.28 Favored Glycine 0 C--O 1.216 -1.029 0 N-CA-C 109.784 -1.326 . . . . 25.0 109.784 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -62.95 -26.88 69.03 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.0 -0.6 . . . . 25.0 111.152 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 63.4 t -72.66 -35.17 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 108.624 -0.88 . . . . 25.0 108.624 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.0 m -68.03 -39.67 83.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -68.14 -37.54 81.18 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 57.7 ttp -65.2 -32.44 74.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.174 -0.466 . . . . 25.0 111.129 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.59 -32.78 74.35 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.208 0.528 . . . . 25.0 110.029 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.81 65.56 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.41 -44.0 97.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.445 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 177.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.86 -43.71 81.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.711 0.291 . . . . 25.0 110.823 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.78 99.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.76 -0.376 . . . . 25.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.18 85.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.785 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.36 -41.95 98.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 32.2 mt -61.22 -43.6 98.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.2 0.445 . . . . 25.0 112.2 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.9 -35.61 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.843 -0.743 . . . . 25.0 111.073 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.3 mtm -64.1 -37.73 88.49 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.827 -0.545 . . . . 25.0 109.706 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 83.7 m -58.23 -37.27 74.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.955 0.407 . . . . 25.0 110.344 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -66.17 -46.29 77.88 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.308 -0.87 . . . . 25.0 109.319 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.24 -42.94 99.27 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.21 -38.06 80.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.554 -0.458 . . . . 25.0 112.115 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.52 -35.96 78.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.992 -0.442 . . . . 25.0 110.796 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -74.47 -13.41 60.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.193 -0.317 . . . . 25.0 111.488 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -114.82 21.75 14.1 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -68.27 163.25 48.75 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.931 -0.652 . . . . 25.0 113.336 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -150.45 169.47 21.39 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 105.448 -2.056 . . . . 25.0 105.448 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 55.99 -162.89 0.16 Allowed 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.622 1.169 . . . . 25.0 112.442 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -142.12 41.5 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 103.95 -2.611 . . . . 25.0 103.95 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -30.75 71.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.268 -1.333 . . . . 25.0 111.238 -175.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -140.74 60.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.532 -1.284 . . . . 25.0 107.532 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -98.79 43.42 1.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.463 -0.79 . . . . 25.0 110.731 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -70.35 139.91 87.3 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 121.3 0.571 . . . . 25.0 111.639 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.34 134.76 12.92 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 N-CA-C 115.916 1.468 . . . . 25.0 115.916 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -96.66 91.4 1.25 Allowed Glycine 0 CA--C 1.52 0.383 0 CA-C-N 114.928 -1.033 . . . . 25.0 112.628 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.24 -29.05 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.405 0.621 . . . . 25.0 110.207 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 66.2 m -96.05 150.07 20.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 92.75 -0.43 70.16 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.48 -0.867 . . . . 25.0 111.818 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -77.04 39.94 0.24 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.53 0.681 . . . . 25.0 111.717 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 44.2 t -151.72 142.86 23.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 104.781 -2.303 . . . . 25.0 104.781 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -66.82 114.47 5.7 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.533 0.198 . . . . 25.0 111.533 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -105.3 -62.47 1.35 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.012 0.434 . . . . 25.0 110.611 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -62.44 -31.12 71.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.794 0.807 . . . . 25.0 110.292 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.05 -29.67 75.1 Favored Glycine 0 C--O 1.226 -0.358 0 CA-C-N 115.438 -0.801 . . . . 25.0 112.292 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -66.59 -40.67 89.01 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 117.588 0.694 . . . . 25.0 109.332 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 78.2 mmt-85 -63.4 -40.86 98.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.778 -0.823 . . . . 25.0 108.778 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.69 -45.92 80.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.45 -0.796 . . . . 25.0 110.502 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -40.37 90.86 Favored 'General case' 0 C--O 1.212 -0.879 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.692 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.0 -33.35 75.54 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.569 -0.707 . . . . 25.0 111.091 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.24 -48.15 66.54 Favored Glycine 0 C--O 1.22 -0.771 0 N-CA-C 107.731 -2.148 . . . . 25.0 107.731 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.73 -38.39 72.3 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 116.613 0.206 . . . . 25.0 111.311 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -66.5 -45.33 79.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.098 0.475 . . . . 25.0 110.672 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.27 87.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.203 0.525 . . . . 25.0 110.409 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.0 m -70.33 -29.06 37.63 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 C-N-CA 120.014 -0.674 . . . . 25.0 110.737 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.84 -35.25 72.61 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.845 0.748 . . . . 25.0 110.471 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.0 89.52 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.26 67.43 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 122.248 -0.283 . . . . 25.0 110.939 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.463 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.7 mm-40 -69.08 -45.55 70.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.615 -0.678 . . . . 25.0 112.673 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 12.4 ptm85 -62.1 -27.82 69.19 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.8 tp -76.25 -52.98 8.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.579 -0.737 . . . . 25.0 111.595 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 473' ' ' GLN . 8.4 p -63.88 -37.97 81.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.827 -0.546 . . . . 25.0 110.006 -175.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -64.34 -35.56 81.29 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.41 97.41 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.695 -0.628 . . . . 25.0 109.886 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.4 -36.56 67.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.18 -27.13 65.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.201 0.524 . . . . 25.0 109.839 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.13 -39.95 28.42 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.0 mtm -62.59 -29.08 70.33 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.698 -0.626 . . . . 25.0 111.294 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.5 p -81.61 -15.72 53.79 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.389 -0.524 . . . . 25.0 112.17 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.21 -26.21 13.07 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.037 -0.265 . . . . 25.0 110.994 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -86.61 -12.1 49.55 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 121.868 -0.52 . . . . 25.0 111.682 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 81.36 -45.0 3.15 Favored Glycine 0 C--O 1.225 -0.417 0 N-CA-C 112.222 -0.351 . . . . 25.0 112.222 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 54.11 29.13 9.85 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.891 1.071 . . . . 25.0 113.891 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -63.65 140.79 58.91 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -63.3 -30.76 78.51 Favored Glycine 0 C--O 1.226 -0.372 0 CA-C-O 121.758 0.643 . . . . 25.0 113.468 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.206 -1.208 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -179.69 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.375 0 CA-C-O 123.053 1.363 . . . . 25.0 112.596 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 18.9 t -157.32 -51.95 0.07 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.01 -1.288 . . . . 25.0 111.982 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -139.84 59.16 1.59 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.002 -1.11 . . . . 25.0 108.002 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 25.3 t -158.25 158.86 35.27 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 105.925 -1.88 . . . . 25.0 105.925 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -158.24 166.64 31.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 105.6 -2.0 . . . . 25.0 105.6 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 45.1 m -109.21 146.43 34.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.807 0.813 . . . . 25.0 109.024 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.02 -20.1 63.28 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.504 -0.771 . . . . 25.0 111.829 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.38 -35.81 82.91 Favored Glycine 0 C--O 1.216 -0.994 0 N-CA-C 109.981 -1.248 . . . . 25.0 109.981 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.25 -34.22 76.97 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.18 -28.01 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.196 0.522 . . . . 25.0 109.946 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 34.5 m -68.51 -39.7 81.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -75.15 -29.18 60.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.857 -0.423 . . . . 25.0 109.857 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 55.2 ttm -59.91 -40.89 90.36 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.295 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.02 77.42 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.255 0.55 . . . . 25.0 111.131 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.73 -45.41 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.887 0.375 . . . . 25.0 111.134 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.86 -34.54 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.55 -0.296 . . . . 25.0 110.619 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -47.32 75.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.254 0.549 . . . . 25.0 109.929 176.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.58 91.27 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 122.067 -0.395 . . . . 25.0 110.258 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.82 72.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.027 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.8 -33.46 68.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.665 -0.647 . . . . 25.0 110.543 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.84 -42.4 98.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 176.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.01 -32.24 61.57 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 40.9 mtm -63.54 -37.11 86.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 118.336 0.516 . . . . 25.0 110.384 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 57.8 m -56.18 -33.12 64.97 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.917 0.865 . . . . 25.0 110.608 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -70.97 -42.67 69.42 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.707 -0.621 . . . . 25.0 109.813 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -64.95 -39.97 94.3 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.4 t -59.66 -40.2 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.0 -1.0 . . . . 25.0 111.019 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 56.7 mt -70.68 -19.48 62.78 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -95.34 -2.42 49.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.603 0.239 . . . . 25.0 110.945 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -113.47 171.4 7.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.31 0.576 . . . . 25.0 110.742 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -80.51 118.4 4.66 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 109.056 -1.618 . . . . 25.0 109.056 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -142.07 158.06 44.2 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 103.286 -2.857 . . . . 25.0 103.286 -178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -71.57 -28.38 63.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.782 -0.644 . . . . 25.0 111.983 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 60.18 33.77 21.09 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.295 0.997 . . . . 25.0 111.401 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -64.95 -25.71 67.99 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.68 -0.691 . . . . 25.0 109.871 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -132.74 76.04 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.386 -1.709 . . . . 25.0 106.386 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -121.31 45.31 2.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.342 -1.299 . . . . 25.0 109.231 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.35 139.38 94.76 Favored Pre-proline 0 C--O 1.243 0.711 0 CA-C-O 121.35 0.595 . . . . 25.0 111.773 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.4 166.53 27.32 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 CA-C-O 121.741 0.642 . . . . 25.0 112.354 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 91.36 -36.26 3.69 Favored Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.74 -0.664 . . . . 25.0 112.737 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.45 -41.96 89.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 122.008 0.909 . . . . 25.0 109.097 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 65.0 p -76.57 120.3 21.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.837 -0.619 . . . . 25.0 110.764 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -152.91 -83.83 0.04 OUTLIER Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.783 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 59.27 -156.09 0.34 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.6 t -85.51 162.92 18.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.205 0.526 . . . . 25.0 112.221 -176.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -57.31 144.0 37.51 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.761 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -105.71 -58.02 1.96 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.33 0.586 . . . . 25.0 111.208 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -61.52 -33.13 73.28 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -64.79 -33.87 88.4 Favored Glycine 0 C--O 1.226 -0.36 0 N-CA-C 111.056 -0.818 . . . . 25.0 111.056 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -69.67 -40.73 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -62.57 -37.53 86.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.439 -0.578 . . . . 25.0 109.439 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.38 91.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 25.0 111.006 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -35.19 79.9 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.394 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.28 -32.59 74.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.629 -0.669 . . . . 25.0 110.323 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.33 -44.17 91.2 Favored Glycine 0 C--O 1.22 -0.778 0 N-CA-C 107.935 -2.066 . . . . 25.0 107.935 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.59 -39.42 67.82 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 122.584 0.353 . . . . 25.0 111.589 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -66.72 -43.26 84.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.107 0.48 . . . . 25.0 111.59 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.2 79.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.256 0.551 . . . . 25.0 111.064 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.4 m -68.08 -27.94 39.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.485 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.89 -30.46 61.6 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.598 0.221 . . . . 25.0 111.598 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.93 92.84 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.3 66.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.772 0.32 . . . . 25.0 110.432 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.415 ' HA ' HG12 ' A' ' 476' ' ' VAL . 56.8 mm-40 -68.28 -45.47 72.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.957 0.408 . . . . 25.0 111.779 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -65.02 -26.81 68.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.469 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -51.05 23.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.98 -0.554 . . . . 25.0 110.514 177.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.7 p -63.4 -36.82 77.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.493 0.663 . . . . 25.0 109.327 -176.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -63.54 -35.8 81.68 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.98 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.67 -45.66 88.89 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.328 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -69.6 -35.47 66.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.4 -27.24 65.82 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.4 0.619 . . . . 25.0 109.426 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.39 -42.48 20.39 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-O 120.978 0.418 . . . . 25.0 110.496 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.4 mtm -59.35 -26.95 65.48 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.6 p -77.46 -37.6 51.12 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.083 -1.047 . . . . 25.0 110.042 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -83.19 -24.18 32.55 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.104 -0.239 . . . . 25.0 111.584 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -84.19 -32.34 24.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.693 -0.63 . . . . 25.0 111.687 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -72.69 -23.91 77.07 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.958 -0.639 . . . . 25.0 112.422 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 70.4 mtm-85 48.16 34.18 4.19 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.349 1.241 . . . . 25.0 114.349 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -78.74 28.38 0.21 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -82.32 67.58 3.67 Favored Glycine 0 C--O 1.226 -0.372 0 CA-C-O 121.502 0.501 . . . . 25.0 111.964 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.212 -0.917 0 CA-C-O 123.476 1.608 . . . . 25.0 111.257 179.54 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.53 0 CA-C-O 123.083 1.379 . . . . 25.0 112.947 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 82.2 p -80.16 151.38 29.78 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 120.762 -1.434 . . . . 25.0 109.462 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 43.8 tpt85 -85.15 -23.75 28.26 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.423 -0.511 . . . . 25.0 110.082 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 37.7 p -154.05 149.31 27.03 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 105.741 -1.948 . . . . 25.0 105.741 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -86.86 157.88 19.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.182 0.515 . . . . 25.0 111.662 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 28.4 t -126.62 50.62 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 176.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 63.9 -46.92 0.27 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 117.368 2.358 . . . . 25.0 117.368 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -62.97 -37.28 94.69 Favored Glycine 0 C--O 1.218 -0.889 0 N-CA-C 109.275 -1.53 . . . . 25.0 109.275 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.59 -25.19 68.12 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 27.7 t -71.88 -33.45 47.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.126 -1.065 . . . . 25.0 108.126 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -69.06 -36.73 78.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -68.12 -36.45 79.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.0 tpp -63.82 -40.1 95.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.198 0.523 . . . . 25.0 109.865 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.78 -32.19 73.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.793 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.15 -37.52 81.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.71 -45.98 86.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.96 -43.58 94.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.963 0.411 . . . . 25.0 110.132 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.53 91.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.243 -0.286 . . . . 25.0 110.722 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.57 97.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.698 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.7 -41.66 87.65 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.59 0.71 . . . . 25.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.86 -44.04 97.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.262 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -78.61 -31.74 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.875 1.806 . . . . 25.0 115.875 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 20.9 ptp -62.33 -31.8 72.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 119.226 0.921 . . . . 25.0 110.206 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 24.5 m -64.66 -31.35 72.54 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.922 -0.581 . . . . 25.0 109.883 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -69.46 -39.65 77.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.423 -0.798 . . . . 25.0 109.071 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -64.21 -44.44 91.9 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.898 -0.321 . . . . 25.0 111.51 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 21.8 m -67.86 -34.23 66.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.526 0.565 . . . . 25.0 112.526 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.93 -21.5 60.88 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.528 0.566 . . . . 25.0 112.528 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -93.63 -0.02 56.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.909 0.385 . . . . 25.0 110.114 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -127.27 -138.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -175.28 166.03 37.32 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 109.808 -1.317 . . . . 25.0 109.808 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -155.21 170.01 22.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 103.211 -2.885 . . . . 25.0 103.211 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 445' ' ' ASP . 26.2 ptt180 -68.58 -28.98 67.42 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 42.28 30.18 0.19 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.974 1.472 . . . . 25.0 114.974 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' ASP . . . . . 0.411 ' H ' ' HG3' ' A' ' 443' ' ' ARG . 3.3 t0 -78.29 -24.83 46.54 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 122.504 1.145 . . . . 25.0 109.332 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.25 19.8 5.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.418 -1.265 . . . . 25.0 112.437 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -81.56 27.93 0.42 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.352 1.612 . . . . 25.0 115.352 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -102.43 141.83 23.33 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 121.97 -0.456 . . . . 25.0 111.47 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.27 154.25 41.12 Favored 'Trans proline' 0 C--N 1.348 0.514 0 CA-C-O 121.829 0.679 . . . . 25.0 112.803 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -94.19 -157.03 32.7 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.194 -0.912 . . . . 25.0 112.035 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 54.4 t -115.31 102.56 13.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.885 -0.657 . . . . 25.0 109.429 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 2.7 m -68.88 -17.82 64.04 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.028 -0.533 . . . . 25.0 112.359 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 103.51 142.41 11.94 Favored Glycine 0 C--O 1.225 -0.412 0 CA-C-N 115.807 -0.633 . . . . 25.0 113.134 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -158.87 145.8 17.3 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 59.9 m -88.41 103.48 15.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.534 0.207 . . . . 25.0 111.156 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -134.03 40.0 3.09 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -43.71 -54.47 5.06 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.25 1.945 . . . . 25.0 116.25 -174.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -66.6 -32.36 73.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.379 -0.825 . . . . 25.0 111.221 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -68.71 -33.74 76.56 Favored Glycine 0 C--O 1.217 -0.927 0 N-CA-C 111.424 -0.671 . . . . 25.0 111.424 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -62.02 -39.81 93.55 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -71.6 -35.7 70.59 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.311 -0.555 . . . . 25.0 109.867 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.83 -41.66 82.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.461 -0.336 . . . . 25.0 111.125 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -33.58 76.14 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 122.219 -0.301 . . . . 25.0 111.151 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -59.29 -36.52 75.72 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.993 -0.683 . . . . 25.0 110.333 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.95 -45.52 50.67 Favored Glycine 0 C--O 1.218 -0.853 0 N-CA-C 108.885 -1.686 . . . . 25.0 108.885 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.1 67.04 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 111.927 0.343 . . . . 25.0 111.927 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -67.3 -43.77 80.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.056 0.455 . . . . 25.0 111.368 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.32 87.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.135 0.493 . . . . 25.0 110.275 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.21 -27.5 29.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 C-N-CA 120.907 -0.317 . . . . 25.0 110.84 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.94 68.44 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.225 0.466 . . . . 25.0 111.277 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.15 90.03 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.77 -35.93 67.55 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 120.621 0.248 . . . . 25.0 110.623 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.423 ' HA ' HG12 ' A' ' 476' ' ' VAL . 58.8 mm-40 -67.53 -46.42 72.88 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -64.0 -27.69 69.3 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.43 -52.58 15.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.108 176.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.5 p -63.36 -36.43 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 118.684 0.675 . . . . 25.0 109.846 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -63.6 -34.96 78.99 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.067 -0.515 . . . . 25.0 110.298 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.34 97.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.216 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.62 -34.62 57.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.33 -27.05 63.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.373 0.606 . . . . 25.0 109.726 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.05 -41.32 22.81 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.25 0.548 . . . . 25.0 110.245 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.5 mtm -62.56 -28.18 69.69 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.475 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 37.9 p -76.8 -37.49 55.68 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 119.167 -1.013 . . . . 25.0 110.073 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -77.89 -28.49 49.89 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.423 -0.511 . . . . 25.0 110.01 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -70.87 -30.57 66.99 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.82 -0.808 . . . . 25.0 108.82 175.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -81.78 7.06 63.47 Favored Glycine 0 C--O 1.228 -0.277 0 N-CA-C 111.524 -0.63 . . . . 25.0 111.524 175.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 52.08 36.89 20.01 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.14 1.376 . . . . 25.0 113.481 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -114.38 150.52 34.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.972 -1.121 . . . . 25.0 107.972 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -82.2 45.48 3.35 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 111.854 -0.499 . . . . 25.0 111.854 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.21 -1.022 0 CA-C-O 124.2 1.952 . . . . 25.0 110.937 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 122.9 1.278 . . . . 25.0 112.915 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 49.1 m -129.25 160.35 33.22 Favored 'General case' 0 CA--C 1.519 -0.229 0 O-C-N 121.63 -0.923 . . . . 25.0 109.038 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -141.9 158.14 44.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.232 -1.395 . . . . 25.0 107.232 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 21.5 t -161.55 -179.86 7.65 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 103.994 -2.595 . . . . 25.0 103.994 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -131.89 144.14 50.65 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.589 -0.522 . . . . 25.0 109.589 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.54 31.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.563 0.745 . . . . 25.0 112.601 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 65.36 -47.38 0.37 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 116.061 1.875 . . . . 25.0 116.061 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.45 -27.84 72.3 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.634 -0.986 . . . . 25.0 110.634 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.93 -35.54 73.28 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 121.099 0.476 . . . . 25.0 110.911 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.29 -33.41 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.052 0.453 . . . . 25.0 110.169 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.7 m -67.26 -39.23 86.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.853 -0.339 . . . . 25.0 110.305 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.4 -34.18 65.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.401 0.619 . . . . 25.0 109.654 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 45.9 ttm -58.83 -34.33 71.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.999 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.95 82.27 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.888 0.375 . . . . 25.0 110.205 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.89 -38.99 66.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.21 -45.83 97.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -62.4 -39.36 92.99 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.056 -0.403 . . . . 25.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.57 91.55 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.51 90.8 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.453 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.34 -43.91 92.7 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 122.235 1.017 . . . . 25.0 109.43 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 67.6 mt -61.25 -44.52 97.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.49 -1.232 . . . . 25.0 112.053 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -73.67 -32.14 63.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.778 0.717 . . . . 25.0 111.803 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 3.9 tpp -63.4 -37.8 88.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 54.9 m -60.45 -36.25 77.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -67.4 -44.25 79.29 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -62.31 -43.27 99.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.23 -38.36 79.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.575 -0.45 . . . . 25.0 111.467 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.0 mt -66.57 -34.73 78.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.019 -0.426 . . . . 25.0 110.561 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -72.56 -31.42 65.24 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.412 -0.218 . . . . 25.0 110.412 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -69.29 -39.2 78.46 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.79 0.329 . . . . 25.0 110.136 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 151.99 164.45 12.28 Favored Glycine 0 C--O 1.219 -0.822 0 CA-C-O 122.531 1.073 . . . . 25.0 115.414 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -90.55 26.6 1.95 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.761 -0.72 . . . . 25.0 112.659 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -116.63 131.14 57.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.167 0.803 . . . . 25.0 113.167 -174.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -131.8 26.81 4.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.109 -1.441 . . . . 25.0 107.109 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -65.42 -24.92 67.32 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.432 -0.804 . . . . 25.0 111.196 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -114.87 37.97 3.3 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.008 0.908 . . . . 25.0 110.069 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -113.56 44.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.574 -0.739 . . . . 25.0 109.018 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.98 147.76 98.65 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-O 121.286 0.565 . . . . 25.0 111.453 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -78.22 153.58 28.14 Favored 'Trans proline' 0 C--N 1.346 0.432 0 CA-C-O 121.337 0.474 . . . . 25.0 111.305 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -119.66 -92.41 1.38 Allowed Glycine 0 C--O 1.227 -0.324 0 N-CA-C 115.153 0.821 . . . . 25.0 115.153 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 56.7 t -79.48 126.0 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 122.085 -0.656 . . . . 25.0 110.74 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 2.9 t 68.76 174.22 0.29 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.641 1.176 . . . . 25.0 113.141 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -179.0 -176.14 46.59 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 110.787 -0.925 . . . . 25.0 110.787 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -69.6 148.88 48.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.958 0.409 . . . . 25.0 110.159 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -144.85 176.03 9.76 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 69.03 170.8 0.3 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.671 1.189 . . . . 25.0 113.075 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -105.75 -76.72 0.6 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.338 -0.846 . . . . 25.0 112.242 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -64.06 -30.05 71.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.314 0.578 . . . . 25.0 111.929 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.55 -33.77 83.12 Favored Glycine 0 C--O 1.222 -0.6 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.174 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -66.14 -44.51 83.98 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 122.289 -0.536 . . . . 25.0 110.315 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.0 mmt-85 -65.25 -36.63 84.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.0 -46.24 82.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.317 -0.402 . . . . 25.0 110.608 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -37.19 84.33 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 120.794 -0.362 . . . . 25.0 110.843 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -59.97 -35.13 74.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.494 0.588 . . . . 25.0 110.422 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.46 -49.48 50.78 Favored Glycine 0 C--O 1.214 -1.113 0 N-CA-C 108.103 -1.999 . . . . 25.0 108.103 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.53 64.41 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -74.13 -43.48 57.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.017 0.437 . . . . 25.0 110.739 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.13 99.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.189 0.519 . . . . 25.0 109.958 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.8 m -70.07 -31.42 47.59 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.322 0 C-N-CA 120.37 -0.532 . . . . 25.0 109.982 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.9 76.44 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.876 0.762 . . . . 25.0 111.019 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.05 85.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -71.98 -31.7 66.51 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.693 -0.23 . . . . 25.0 111.148 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.4 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.6 mm-40 -71.52 -44.76 64.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.924 -0.485 . . . . 25.0 110.676 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -65.47 -28.5 69.25 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.79 -51.91 29.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.158 -0.474 . . . . 25.0 110.635 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.1 p -62.99 -35.52 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.366 0.603 . . . . 25.0 109.51 -176.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -62.84 -37.06 85.31 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.795 -0.639 . . . . 25.0 110.433 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.88 87.91 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.187 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.09 -35.22 67.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.33 -27.52 64.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.11 -43.43 19.44 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 120.984 0.421 . . . . 25.0 110.786 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 40.4 mtm -59.77 -24.63 64.24 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 115.934 -0.575 . . . . 25.0 112.158 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.1 p -78.8 -23.8 44.94 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.268 -0.973 . . . . 25.0 109.978 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -89.84 -43.72 10.43 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.978 -0.556 . . . . 25.0 110.74 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -66.57 -20.24 65.96 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -105.23 2.57 40.39 Favored Glycine 0 C--O 1.224 -0.474 0 CA-C-N 115.664 -0.698 . . . . 25.0 112.689 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 35.35 58.72 0.81 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.32 1.048 . . . . 25.0 111.907 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -67.93 63.67 0.08 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 116.762 2.134 . . . . 25.0 116.762 -173.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -81.7 61.98 4.57 Favored Glycine 0 C--O 1.225 -0.434 0 N-CA-C 110.513 -1.035 . . . . 25.0 110.513 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 124.924 2.297 . . . . 25.0 112.754 -177.154 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.912 0 CA-C-O 125.064 2.48 . . . . 25.0 110.739 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 80.4 p -76.05 -14.47 60.21 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 112.403 -1.899 . . . . 25.0 111.802 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 59.27 22.75 11.08 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.082 0.953 . . . . 25.0 111.65 -177.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 42.8 t -85.26 153.04 22.86 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.603 -1.629 . . . . 25.0 106.603 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -69.79 152.49 44.53 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 175.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 43.6 t -84.59 149.57 25.79 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.47 -20.66 62.85 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.691 -1.141 . . . . 25.0 109.558 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.94 -32.67 77.69 Favored Glycine 0 C--O 1.219 -0.838 0 N-CA-C 110.499 -1.04 . . . . 25.0 110.499 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.43 -35.83 82.09 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.66 -35.87 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.172 0.511 . . . . 25.0 110.086 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 60.4 m -65.39 -40.78 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.038 -0.414 . . . . 25.0 110.026 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.52 -35.73 73.35 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 49.8 ttm -59.85 -40.6 89.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.924 0.392 . . . . 25.0 110.851 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.2 -33.41 75.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.214 0.53 . . . . 25.0 110.149 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.36 -36.74 71.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 87.8 t -64.54 -45.58 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 178.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -57.87 -47.25 83.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.327 0.584 . . . . 25.0 110.206 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.39 96.21 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 122.128 -0.357 . . . . 25.0 110.571 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.39 79.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.124 -0.489 . . . . 25.0 112.031 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -68.99 -34.78 75.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.758 -0.777 . . . . 25.0 110.333 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.46 -44.67 93.81 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.796 -0.446 . . . . 25.0 109.796 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -73.88 -32.12 63.46 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.186 -1.006 . . . . 25.0 113.259 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 56.5 mtm -65.4 -33.81 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.507 0.594 . . . . 25.0 109.673 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.6 m -59.35 -36.66 76.13 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -67.35 -40.19 85.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.455 -0.778 . . . . 25.0 109.769 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -64.29 -44.13 92.64 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.607 -0.437 . . . . 25.0 111.786 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.97 -32.19 53.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.9 -22.01 62.31 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 111.699 0.259 . . . . 25.0 111.699 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -95.1 -4.06 46.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.717 0.294 . . . . 25.0 110.932 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -88.92 179.05 6.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.516 0.674 . . . . 25.0 110.548 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -77.04 153.35 41.59 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 109.454 -1.458 . . . . 25.0 109.454 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -66.32 133.85 51.38 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 123.711 1.72 . . . . 25.0 110.789 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.11 -62.3 1.74 Allowed 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 109.958 -3.292 . . . . 25.0 112.839 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 51.32 31.46 7.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.625 0.972 . . . . 25.0 113.625 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -66.47 -34.46 77.98 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.792 0.806 . . . . 25.0 110.781 -174.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -135.78 34.97 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 49.85 43.64 25.01 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 113.898 -1.501 . . . . 25.0 111.363 -177.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.33 140.47 94.59 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 114.836 -1.074 . . . . 25.0 112.797 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.1 171.11 18.95 Favored 'Trans proline' 0 C--N 1.345 0.373 0 CA-C-O 121.574 0.572 . . . . 25.0 112.195 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 85.52 -57.59 4.9 Favored Glycine 0 C--O 1.226 -0.373 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.893 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 30.7 t -117.74 83.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.285 -1.376 . . . . 25.0 107.285 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 77.3 p -142.19 174.25 10.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -136.91 155.7 22.84 Favored Glycine 0 C--O 1.224 -0.516 0 N-CA-C 110.442 -1.063 . . . . 25.0 110.442 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -75.88 -19.21 59.03 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.944 0.402 . . . . 25.0 111.639 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 31.4 t -157.8 161.91 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.325 -1.361 . . . . 25.0 107.325 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -143.36 152.34 41.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.696 -1.594 . . . . 25.0 106.696 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.82 -76.66 0.6 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.083 0.468 . . . . 25.0 109.967 178.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -67.12 -27.04 66.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.23 0.538 . . . . 25.0 111.372 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.58 -33.82 67.94 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-N 115.297 -0.865 . . . . 25.0 112.028 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.6 -41.43 94.76 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 122.099 -0.647 . . . . 25.0 110.992 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -74.8 -34.03 62.33 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.43 -0.508 . . . . 25.0 109.793 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.31 92.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.064 -0.516 . . . . 25.0 109.881 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -38.96 92.84 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 110.197 -0.297 . . . . 25.0 110.197 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -59.76 -34.9 73.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 119.175 0.898 . . . . 25.0 110.558 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.89 -49.41 42.11 Favored Glycine 0 C--O 1.215 -1.055 0 N-CA-C 109.441 -1.464 . . . . 25.0 109.441 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.21 -36.74 66.27 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -76.79 -36.95 56.63 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.04 82.26 Favored 'General case' 0 C--N 1.311 -1.073 0 O-C-N 124.505 1.128 . . . . 25.0 110.298 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 24.2 m -69.09 -30.1 45.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.113 -0.494 . . . . 25.0 110.32 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.56 -34.2 64.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.196 0.453 . . . . 25.0 111.414 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.56 87.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.81 0.338 . . . . 25.0 110.221 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.66 -34.56 67.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.65 -0.25 . . . . 25.0 110.785 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.443 ' HA ' HG12 ' A' ' 476' ' ' VAL . 39.0 mm-40 -68.43 -45.77 71.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.008 0.432 . . . . 25.0 111.729 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -63.49 -26.58 68.78 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.76 -51.4 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.726 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.3 p -63.5 -36.93 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 118.718 0.69 . . . . 25.0 109.492 -176.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -63.49 -35.2 79.67 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.848 -0.615 . . . . 25.0 110.091 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.22 92.7 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.519 -0.472 . . . . 25.0 110.183 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.04 -34.87 61.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.91 64.39 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.439 0.637 . . . . 25.0 109.67 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.35 -42.33 20.69 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.361 0.6 . . . . 25.0 110.383 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.3 mtm -61.13 -26.56 67.76 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-N 116.139 -0.482 . . . . 25.0 111.584 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.1 p -77.47 -37.13 52.0 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 119.323 -0.951 . . . . 25.0 110.325 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -79.17 -27.6 42.69 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.475 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -74.31 -34.87 63.6 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.746 -0.596 . . . . 25.0 110.083 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.54 58.99 Favored Glycine 0 C--O 1.229 -0.184 0 CA-C-O 119.609 -0.55 . . . . 25.0 111.74 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 38.01 49.25 1.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.538 1.135 . . . . 25.0 113.688 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -72.32 165.28 24.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.486 -1.233 . . . . 25.0 110.901 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 148.4 -39.11 0.99 Allowed Glycine 0 C--O 1.226 -0.399 0 N-CA-C 109.836 -1.306 . . . . 25.0 109.836 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.21 -0.993 0 CA-C-O 123.461 1.601 . . . . 25.0 112.549 178.88 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.078 0 CA-C-O 123.85 1.806 . . . . 25.0 113.07 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 17.7 m -63.47 150.48 43.65 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 113.725 -1.237 . . . . 25.0 110.024 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -127.91 155.8 43.62 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 20.9 p -89.45 3.7 51.5 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 123.403 0.44 . . . . 25.0 111.318 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -138.07 150.98 47.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.725 -0.472 . . . . 25.0 109.725 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 66.7 m -87.04 164.45 16.46 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.284 -1.746 . . . . 25.0 106.284 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.41 -10.39 16.34 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 118.115 2.635 . . . . 25.0 118.115 -170.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.91 -33.51 55.02 Favored Glycine 0 C--O 1.223 -0.547 0 N-CA-C 108.612 -1.795 . . . . 25.0 108.612 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -66.97 -36.44 82.21 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 113.662 -1.269 . . . . 25.0 109.531 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.3 -32.25 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.27 0.557 . . . . 25.0 109.609 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 44.0 m -70.9 -38.7 73.0 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.724 -0.391 . . . . 25.0 110.516 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -72.65 -32.9 66.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.613 0.72 . . . . 25.0 109.613 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.6 mtp -60.44 -41.49 94.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.117 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.33 -32.99 74.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.981 0.419 . . . . 25.0 110.686 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.81 60.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.48 -0.327 . . . . 25.0 110.923 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.07 -35.51 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 121.01 -0.276 . . . . 25.0 110.459 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.13 -43.51 82.44 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.3 88.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.934 -0.306 . . . . 25.0 110.712 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.89 79.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.713 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.13 -44.15 89.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.194 0.521 . . . . 25.0 109.786 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.85 -40.75 96.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.029 -0.532 . . . . 25.0 111.504 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -73.77 -29.24 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.576 -0.85 . . . . 25.0 111.623 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 27.9 mtm -63.49 -37.57 87.79 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.088 -0.383 . . . . 25.0 110.769 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 4.3 m -57.93 -31.88 67.25 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.022 0.915 . . . . 25.0 110.761 176.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -72.01 -36.77 69.81 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.821 -0.549 . . . . 25.0 110.377 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -66.49 -41.62 88.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.92 -40.1 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.905 -1.043 . . . . 25.0 110.965 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.78 -12.42 60.55 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.041 0.756 . . . . 25.0 113.041 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -118.96 11.84 12.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.94 0.4 . . . . 25.0 110.816 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -97.5 136.35 38.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.263 0.554 . . . . 25.0 111.241 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -82.17 53.82 4.8 Favored Glycine 0 C--O 1.229 -0.172 0 N-CA-C 110.57 -1.012 . . . . 25.0 110.57 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -147.32 -136.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 -177.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.541 ' C ' ' H ' ' A' ' 445' ' ' ASP . 5.3 mtm-85 -79.98 91.78 5.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.338 0.866 . . . . 25.0 113.338 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -85.78 27.97 0.82 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 106.229 -1.767 . . . . 25.0 106.229 168.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 443' ' ' ARG . 19.5 t0 -73.66 -19.21 60.9 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 126.199 1.799 . . . . 25.0 111.044 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -129.81 73.14 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.514 -1.661 . . . . 25.0 106.514 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -138.1 34.1 2.35 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 113.98 -1.464 . . . . 25.0 107.83 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -64.11 139.25 97.64 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-N 115.713 -0.676 . . . . 25.0 111.366 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -76.29 151.75 34.2 Favored 'Trans proline' 0 C--N 1.348 0.535 0 CA-C-O 121.625 0.594 . . . . 25.0 112.297 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -99.8 -165.83 29.3 Favored Glycine 0 N--CA 1.441 -0.976 0 CA-C-O 123.385 1.547 . . . . 25.0 112.397 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 61.8 t -76.93 133.45 30.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-N 113.176 -1.512 . . . . 25.0 109.612 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 77.4 p -150.6 167.77 26.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 91.03 -156.66 24.52 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.31 -0.471 . . . . 25.0 112.742 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 62.61 179.2 0.14 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.6 1.16 . . . . 25.0 113.633 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 50.2 m -90.45 145.39 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -135.17 143.16 46.32 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 110.575 -0.157 . . . . 25.0 110.575 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.76 -74.55 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 174.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -62.47 -30.07 70.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.377 0.608 . . . . 25.0 111.566 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -58.22 -29.3 62.67 Favored Glycine 0 C--O 1.221 -0.687 0 CA-C-N 115.323 -0.853 . . . . 25.0 112.89 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' GLN . . . . . 0.411 ' HA ' HD23 ' A' ' 463' ' ' LEU . 87.9 mt-30 -61.86 -36.93 82.68 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 122.065 -0.667 . . . . 25.0 110.958 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -76.42 -32.07 58.28 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.444 -0.502 . . . . 25.0 109.817 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.13 88.02 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.163 -0.31 . . . . 25.0 110.163 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.3 OUTLIER -64.59 -32.04 73.53 Favored 'General case' 0 C--O 1.213 -0.85 0 O-C-N 121.996 -0.44 . . . . 25.0 110.335 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -61.58 -30.02 70.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.589 -0.694 . . . . 25.0 111.147 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.85 -42.8 37.05 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 107.652 -2.179 . . . . 25.0 107.652 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.6 68.82 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 120.889 0.376 . . . . 25.0 111.165 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.0 -43.11 83.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.038 0.447 . . . . 25.0 111.272 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.25 85.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.875 0.369 . . . . 25.0 110.14 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 14.1 m -68.84 -31.21 49.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.91 67.61 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 118.279 0.491 . . . . 25.0 111.718 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.93 88.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.85 65.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.82 0.343 . . . . 25.0 110.441 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.439 ' HA ' HG12 ' A' ' 476' ' ' VAL . 37.6 mm-40 -68.97 -44.49 72.82 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 -177.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 46.3 ptt85 -64.42 -28.75 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.71 -53.37 11.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.352 -0.84 . . . . 25.0 110.856 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -62.58 -36.73 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 118.599 0.636 . . . . 25.0 109.524 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -63.43 -36.53 84.03 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.175 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.98 91.03 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.506 -0.478 . . . . 25.0 110.198 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.13 -33.26 41.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.374 -0.53 . . . . 25.0 109.914 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.02 -29.53 67.33 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.3 -44.8 35.38 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 109.616 -0.513 . . . . 25.0 109.616 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 41.1 mtm -62.11 -31.37 71.82 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.362 0.601 . . . . 25.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 29.7 p -80.22 -31.33 38.64 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.408 -0.917 . . . . 25.0 110.006 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -79.95 -30.92 39.98 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 119.578 -0.849 . . . . 25.0 110.543 175.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.81 -35.34 79.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 118.682 0.674 . . . . 25.0 109.633 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -66.75 -13.43 61.26 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 121.14 -0.552 . . . . 25.0 114.037 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -125.28 19.62 8.19 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 117.324 0.562 . . . . 25.0 111.17 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -74.83 9.07 2.03 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.055 1.131 . . . . 25.0 114.055 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -79.16 41.31 2.22 Favored Glycine 0 C--O 1.221 -0.703 0 CA-C-O 121.602 0.557 . . . . 25.0 113.216 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.209 -1.072 0 CA-C-O 123.073 1.416 . . . . 25.0 114.754 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.789 0 CA-C-O 123.412 1.562 . . . . 25.0 113.645 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.95 143.41 37.94 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.635 -0.782 . . . . 25.0 112.075 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -119.76 111.4 17.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 115.416 1.636 . . . . 25.0 115.416 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 2.8 m 64.63 178.41 0.18 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.078 1.51 . . . . 25.0 115.078 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -81.75 51.22 1.66 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.065 1.135 . . . . 25.0 114.065 -176.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.65 32.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.55 -0.719 . . . . 25.0 111.712 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 60.07 -62.49 0.06 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 116.879 2.177 . . . . 25.0 116.879 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.1 -32.86 83.63 Favored Glycine 0 C--O 1.22 -0.732 0 N-CA-C 109.055 -1.618 . . . . 25.0 109.055 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -63.07 -36.72 84.54 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 114.831 -0.684 . . . . 25.0 110.053 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 18.3 t -71.8 -36.04 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 57.6 m -65.6 -38.33 89.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.443 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.38 -36.21 68.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.359 0.599 . . . . 25.0 109.461 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 44.1 ttm -60.39 -38.27 83.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.139 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.46 74.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 25.0 110.685 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.14 70.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.89 -42.89 92.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -59.44 -42.93 93.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 25.0 110.205 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.46 94.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.407 -0.22 . . . . 25.0 110.407 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.11 97.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.681 -0.236 . . . . 25.0 110.948 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.1 -44.58 96.34 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.679 0.752 . . . . 25.0 109.511 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.77 -41.48 99.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.684 -0.689 . . . . 25.0 112.41 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -75.8 -32.17 59.75 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 119.631 -0.828 . . . . 25.0 111.627 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 59.0 mtm -65.32 -33.3 75.66 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.103 -0.373 . . . . 25.0 110.167 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.7 m -56.85 -38.21 72.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.335 0.588 . . . . 25.0 109.582 176.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -67.9 -36.2 79.8 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.421 -0.799 . . . . 25.0 110.575 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -66.46 -44.12 83.63 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.796 -0.362 . . . . 25.0 110.779 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 20.6 m -69.33 -31.59 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.06 -54.81 41.53 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.165 -0.68 . . . . 25.0 109.165 177.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -62.76 -36.08 81.89 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.307 0.484 . . . . 25.0 112.307 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.81 65.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -177.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 135.08 46.69 0.09 OUTLIER Glycine 0 C--O 1.242 0.595 0 N-CA-C 116.027 1.171 . . . . 25.0 116.027 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -79.54 77.38 6.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 176.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 53.64 -119.36 1.48 Allowed 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 -175.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -137.67 30.71 2.57 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 176.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.91 -29.07 67.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.222 -0.899 . . . . 25.0 109.763 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -139.47 63.25 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 177.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -94.76 43.19 1.09 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.301 -0.863 . . . . 25.0 109.291 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -122.71 150.29 58.04 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.771 0.32 . . . . 25.0 111.17 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -79.45 2.74 8.1 Favored 'Trans proline' 0 C--N 1.348 0.527 0 N-CA-C 113.828 0.665 . . . . 25.0 113.828 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 126.94 146.57 6.52 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.954 -0.859 . . . . 25.0 110.954 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.66 -29.34 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.792 0.806 . . . . 25.0 111.606 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 42.8 m -70.86 147.0 49.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.166 0.508 . . . . 25.0 112.354 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 155.1 -40.96 0.61 Allowed Glycine 0 C--O 1.226 -0.359 0 N-CA-C 111.589 -0.604 . . . . 25.0 111.589 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 59.89 7.05 1.02 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.68 1.733 . . . . 25.0 115.68 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.6 t -151.46 139.35 19.93 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -160.66 151.35 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -108.82 -62.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.04 0.448 . . . . 25.0 111.09 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -57.58 -43.0 84.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.927 0.87 . . . . 25.0 111.917 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.57 -29.35 66.61 Favored Glycine 0 C--O 1.219 -0.811 0 CA-C-N 114.506 -1.225 . . . . 25.0 113.926 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -67.65 -42.11 82.77 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 118.333 1.067 . . . . 25.0 110.084 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -70.62 -31.49 68.47 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.947 -0.701 . . . . 25.0 109.353 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.81 -45.48 86.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -39.97 94.08 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.699 -0.401 . . . . 25.0 110.335 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -62.76 -34.43 77.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 118.749 0.704 . . . . 25.0 111.096 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.41 -47.93 67.02 Favored Glycine 0 C--O 1.22 -0.748 0 N-CA-C 108.29 -1.924 . . . . 25.0 108.29 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.26 -39.54 69.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.643 0.258 . . . . 25.0 111.299 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -65.46 -44.71 86.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.999 0.428 . . . . 25.0 110.853 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.91 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.06 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.6 m -70.36 -27.18 30.83 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 C-N-CA 120.444 -0.503 . . . . 25.0 110.695 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.77 70.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.503 0.592 . . . . 25.0 110.359 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.57 84.01 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.1 66.64 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 120.563 0.221 . . . . 25.0 111.028 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.427 ' HA ' HG12 ' A' ' 476' ' ' VAL . 36.8 mm-40 -68.91 -45.23 71.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.884 -0.51 . . . . 25.0 111.722 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.07 -26.7 68.67 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.3 tp -74.57 -51.16 15.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.62 -0.718 . . . . 25.0 111.375 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.3 p -63.26 -36.85 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 118.616 0.643 . . . . 25.0 109.495 -176.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -64.8 -34.69 78.95 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.707 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.7 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.773 -0.58 . . . . 25.0 110.088 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.64 -34.83 58.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.95 -26.56 64.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.349 0.595 . . . . 25.0 109.476 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -80.81 -42.21 22.05 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 109.669 -0.493 . . . . 25.0 109.669 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.6 mtm -60.94 -30.76 70.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.8 0.333 . . . . 25.0 111.458 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 32.8 p -75.33 -36.87 61.0 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.655 -0.818 . . . . 25.0 109.889 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -82.65 -26.46 32.13 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.479 -0.488 . . . . 25.0 111.355 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.62 -33.94 69.4 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 118.901 0.773 . . . . 25.0 110.309 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -72.07 -25.4 74.75 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.377 -0.916 . . . . 25.0 113.285 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -142.96 65.63 1.34 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.05 0.453 . . . . 25.0 110.063 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -66.65 141.33 57.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.907 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -85.61 2.86 87.81 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-O 121.704 0.613 . . . . 25.0 113.11 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.213 -0.85 0 CA-C-O 123.028 1.394 . . . . 25.0 109.682 179.404 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 123.237 1.465 . . . . 25.0 112.941 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 44.0 m -81.9 147.95 29.02 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.055 -1.262 . . . . 25.0 109.827 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -66.41 151.44 47.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 70.8 m -137.38 161.49 36.16 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 105.363 -2.088 . . . . 25.0 105.363 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -160.1 159.3 31.67 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.952 -1.129 . . . . 25.0 107.952 -177.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 11.5 t -87.59 30.81 0.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.27 0.628 . . . . 25.0 112.148 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 62.77 -46.43 0.2 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 118.277 2.695 . . . . 25.0 118.277 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.29 -30.35 77.59 Favored Glycine 0 C--O 1.22 -0.726 0 N-CA-C 109.722 -1.351 . . . . 25.0 109.722 178.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.97 -22.44 66.93 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 115.085 -0.558 . . . . 25.0 111.421 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 48.9 t -74.24 -32.9 33.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.5 m -68.37 -38.44 81.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -70.02 -33.32 71.86 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.252 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 42.0 ttm -62.37 -37.14 84.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.732 0.301 . . . . 25.0 110.601 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.96 -34.05 77.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.44 -36.0 73.7 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.81 -44.33 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -60.78 -43.71 97.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.143 0.497 . . . . 25.0 109.8 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.22 91.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.746 -0.596 . . . . 25.0 110.55 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.73 79.57 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.787 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.66 -31.08 71.53 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.031 -0.668 . . . . 25.0 110.532 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.36 -45.64 83.33 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.057 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -73.7 -30.3 62.77 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.776 -0.77 . . . . 25.0 111.0 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 5.4 tpp -59.41 -44.48 92.82 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 56.6 m -60.16 -40.71 90.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.304 0.574 . . . . 25.0 111.081 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.33 -43.56 98.54 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.474 0.654 . . . . 25.0 109.923 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.48 -43.69 84.72 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.041 -0.981 . . . . 25.0 110.943 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.01 -37.18 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 124.29 1.036 . . . . 25.0 112.797 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.27 -17.83 63.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -118.51 20.57 12.96 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 122.71 0.404 . . . . 25.0 110.95 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -132.94 175.82 9.03 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.851 0.834 . . . . 25.0 112.125 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -85.94 82.07 1.68 Allowed Glycine 0 C--O 1.222 -0.603 0 CA-C-N 115.56 -0.746 . . . . 25.0 112.159 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -125.13 127.52 46.99 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -137.77 162.85 32.84 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -88.71 40.21 0.96 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 174.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 11.2 t70 59.54 -60.08 0.05 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.677 1.991 . . . . 25.0 115.131 -172.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -147.65 35.9 0.87 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 53.54 47.19 24.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.547 -1.206 . . . . 25.0 112.453 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -51.88 129.24 37.76 Favored Pre-proline 0 C--O 1.243 0.75 0 CA-C-N 115.649 -0.705 . . . . 25.0 112.035 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -79.23 130.3 9.13 Favored 'Trans proline' 0 C--N 1.346 0.43 0 CA-C-O 122.015 0.756 . . . . 25.0 113.788 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -165.76 138.94 5.5 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.557 -1.017 . . . . 25.0 110.557 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.27 117.55 53.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 11.6 t 68.44 152.49 0.09 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.84 1.256 . . . . 25.0 110.91 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -78.82 -12.9 83.7 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 120.581 -0.819 . . . . 25.0 111.509 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -170.35 -76.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.2 m -157.67 -57.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.375 -0.829 . . . . 25.0 109.303 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 67.09 143.93 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 126.01 1.724 . . . . 25.0 112.431 -177.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -105.86 -74.58 0.65 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.842 -0.536 . . . . 25.0 111.339 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -60.28 -29.83 69.07 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.49 -33.9 88.5 Favored Glycine 0 C--O 1.226 -0.364 0 C-N-CA 120.759 -0.734 . . . . 25.0 111.332 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.59 -45.16 76.3 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 108.391 -0.966 . . . . 25.0 108.391 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 62.8 mmt-85 -62.34 -38.48 89.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 25.0 110.14 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.83 81.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.19 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -37.65 85.44 Favored 'General case' 0 C--O 1.214 -0.809 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.569 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.54 -36.68 76.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.327 0.512 . . . . 25.0 110.059 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.56 -48.81 54.73 Favored Glycine 0 C--O 1.218 -0.898 0 N-CA-C 108.712 -1.755 . . . . 25.0 108.712 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.83 -37.84 64.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -71.21 -41.79 69.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.07 0.462 . . . . 25.0 110.952 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.03 81.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.167 0.508 . . . . 25.0 110.57 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.17 -26.55 32.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.523 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.64 -33.82 66.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.143 0.429 . . . . 25.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.33 90.56 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.802 -0.444 . . . . 25.0 109.802 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.79 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.65 -0.25 . . . . 25.0 110.719 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.453 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.8 mm-40 -70.79 -46.05 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.974 -0.454 . . . . 25.0 111.693 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.19 -27.66 69.51 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.17 -52.27 14.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.775 -0.648 . . . . 25.0 111.052 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.8 p -63.2 -36.23 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.754 0.706 . . . . 25.0 109.617 -176.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.79 -35.2 79.83 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.277 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.18 97.7 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.539 -0.464 . . . . 25.0 110.129 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.9 -34.26 55.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.93 63.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.407 0.623 . . . . 25.0 109.734 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.3 mt -80.35 -42.34 23.08 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 121.131 0.491 . . . . 25.0 109.931 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.2 mtm -62.44 -27.6 69.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.972 0.415 . . . . 25.0 111.685 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.4 p -77.37 -33.17 55.29 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.441 -0.903 . . . . 25.0 110.556 -175.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.58 -35.33 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.48 -0.488 . . . . 25.0 110.181 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -68.93 -24.01 64.23 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.948 -0.47 . . . . 25.0 110.368 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -69.31 -8.36 59.0 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.78 -0.724 . . . . 25.0 112.46 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -134.83 18.54 3.52 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.069 0.435 . . . . 25.0 111.911 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -149.26 144.62 26.62 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -70.86 -20.3 77.53 Favored Glycine 0 C--O 1.225 -0.453 0 CA-C-O 122.097 0.831 . . . . 25.0 112.181 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--O 1.211 -0.924 0 CA-C-O 123.403 1.573 . . . . 25.0 109.174 179.347 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.83 0 CA-C-O 125.044 2.469 . . . . 25.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 51.1 m -67.53 135.76 53.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 112.5 -1.85 . . . . 25.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -98.8 -21.91 16.11 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.031 -0.729 . . . . 25.0 109.031 175.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 27.3 m -91.07 158.11 16.85 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 105.474 -2.047 . . . . 25.0 105.474 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -62.16 125.25 23.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.587 0.708 . . . . 25.0 111.363 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.5 t -85.23 40.21 0.81 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 61.11 -57.53 0.1 Allowed 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 117.059 2.244 . . . . 25.0 117.059 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.04 -24.86 74.54 Favored Glycine 0 C--O 1.223 -0.587 0 N-CA-C 107.889 -2.084 . . . . 25.0 107.889 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -62.67 -28.26 69.81 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.347 -0.927 . . . . 25.0 110.981 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.52 -33.42 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.985 -0.447 . . . . 25.0 109.9 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 36.6 m -69.17 -36.9 77.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.819 -0.551 . . . . 25.0 110.882 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.22 -31.25 60.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 55.0 ttp -63.38 -42.49 98.85 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.2 -32.56 74.31 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.236 0.541 . . . . 25.0 110.726 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.78 -46.23 63.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.743 0.306 . . . . 25.0 111.166 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.95 -33.08 53.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 122.387 -0.195 . . . . 25.0 110.755 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -57.2 -45.68 83.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.35 85.28 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.815 -0.553 . . . . 25.0 110.486 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.81 79.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.081 -0.508 . . . . 25.0 111.823 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.7 -31.61 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.585 -0.697 . . . . 25.0 109.668 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.59 -43.64 98.3 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.641 -0.424 . . . . 25.0 109.858 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -73.7 -32.48 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.219 -0.992 . . . . 25.0 112.474 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 50.5 mtm -66.62 -33.97 76.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.228 0.467 . . . . 25.0 110.315 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.8 m -58.56 -36.68 74.28 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -65.84 -41.39 91.81 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.547 -0.72 . . . . 25.0 109.83 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -63.39 -44.94 93.25 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.726 -0.39 . . . . 25.0 111.555 -178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.2 m -70.29 -34.68 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 73.4 mt -69.78 -21.97 63.38 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -96.17 -5.61 40.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.991 0.424 . . . . 25.0 111.315 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -80.06 165.44 22.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.266 0.555 . . . . 25.0 110.103 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -81.57 47.35 3.62 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 116.491 -0.322 . . . . 25.0 112.733 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -74.41 95.15 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 123.305 0.642 . . . . 25.0 111.088 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -79.63 138.46 37.42 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -132.53 24.34 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.966 0.888 . . . . 25.0 109.331 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.81 -28.05 69.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.458 -1.246 . . . . 25.0 110.554 -177.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -114.71 35.21 4.37 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.557 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -111.27 45.9 1.14 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -174.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -66.86 139.45 95.7 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 120.718 -0.393 . . . . 25.0 110.776 178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -76.77 90.66 1.21 Allowed 'Trans proline' 0 CA--C 1.539 0.74 0 N-CA-C 114.381 0.877 . . . . 25.0 114.381 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -74.46 59.44 2.43 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 114.999 0.759 . . . . 25.0 114.999 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.71 131.71 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.163 -0.681 . . . . 25.0 109.163 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 32.4 t -148.73 165.85 30.15 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -158.2 167.28 34.39 Favored Glycine 0 C--O 1.224 -0.477 0 N-CA-C 109.614 -1.395 . . . . 25.0 109.614 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 61.7 -10.77 0.07 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 116.435 2.013 . . . . 25.0 116.435 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.1 t -73.02 9.06 1.29 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.152 1.167 . . . . 25.0 114.152 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -139.46 139.97 37.16 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -104.64 -75.11 0.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -61.02 -29.15 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.38 0.61 . . . . 25.0 111.567 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.57 -33.74 67.68 Favored Glycine 0 C--O 1.224 -0.502 0 CA-C-N 115.41 -0.814 . . . . 25.0 112.328 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -63.32 -40.88 98.55 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 122.041 -0.682 . . . . 25.0 110.708 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -66.34 -34.78 78.75 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.149 -0.62 . . . . 25.0 109.828 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.17 83.86 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -37.27 85.84 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.869 -0.333 . . . . 25.0 110.593 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.91 -32.39 72.78 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.725 -0.609 . . . . 25.0 111.004 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.07 -47.04 76.48 Favored Glycine 0 C--O 1.22 -0.726 0 N-CA-C 107.968 -2.053 . . . . 25.0 107.968 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.37 -39.03 63.89 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.994 0.426 . . . . 25.0 112.137 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -67.44 -42.29 83.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.11 0.481 . . . . 25.0 111.893 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.18 72.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.191 0.52 . . . . 25.0 111.265 -177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 23.0 m -67.95 -26.7 35.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 CA-C-N 116.187 -0.46 . . . . 25.0 111.136 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -51.25 -38.07 50.57 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.1 -36.75 85.03 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.955 0.407 . . . . 25.0 110.752 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -31.8 65.3 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.214 -0.304 . . . . 25.0 110.259 176.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.459 ' HA ' HG12 ' A' ' 476' ' ' VAL . 60.8 mm-40 -71.23 -46.13 61.75 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 122.178 -0.326 . . . . 25.0 111.682 -177.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -61.32 -29.84 70.13 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -51.37 21.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.492 . . . . 25.0 110.497 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.8 p -64.58 -35.62 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -63.59 -36.81 85.02 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.284 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.56 83.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.41 -34.5 66.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.88 -30.19 68.84 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.73 -42.8 27.28 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 120.811 0.339 . . . . 25.0 110.958 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 30.6 mtm -58.25 -24.95 61.02 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.168 0.509 . . . . 25.0 111.709 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 42.6 p -82.3 -20.17 37.96 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.439 -0.904 . . . . 25.0 110.994 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -89.29 -35.15 16.3 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -64.29 -23.53 67.33 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 173.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -76.3 -2.99 75.56 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.124 -0.489 . . . . 25.0 112.213 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -125.55 8.44 7.68 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.16 0.584 . . . . 25.0 109.775 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -73.83 153.86 39.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -81.57 8.68 58.36 Favored Glycine 0 C--O 1.228 -0.237 0 CA-C-O 121.906 0.726 . . . . 25.0 113.046 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.212 -0.911 0 CA-C-O 123.743 1.735 . . . . 25.0 112.008 -178.594 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 CA-C-O 121.896 0.72 . . . . 25.0 112.833 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 24.1 p 63.64 -174.14 0.16 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.531 1.533 . . . . 25.0 111.305 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 55.64 44.56 26.32 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.71 0.767 . . . . 25.0 110.365 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 91.7 p -147.3 167.74 23.53 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.413 -1.329 . . . . 25.0 107.413 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -74.04 163.73 27.52 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.242 -1.022 . . . . 25.0 108.242 176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.5 p -99.25 154.98 17.74 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.146 -1.427 . . . . 25.0 107.146 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.7 -13.3 60.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.414 -0.812 . . . . 25.0 111.436 -175.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -69.25 -42.11 76.62 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 109.209 -1.556 . . . . 25.0 109.209 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.85 -38.96 92.89 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.29 -34.51 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.9 m -66.48 -43.84 84.32 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.171 -0.33 . . . . 25.0 110.969 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -71.92 -34.24 68.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.03 0.443 . . . . 25.0 109.928 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttp -64.83 -39.14 93.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.115 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -69.74 -35.12 74.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.103 0.478 . . . . 25.0 110.307 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -66.51 -46.49 76.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.268 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.48 -36.79 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 121.002 -0.279 . . . . 25.0 110.473 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -58.1 -47.17 84.04 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.76 90.83 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.183 -0.323 . . . . 25.0 110.905 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.34 72.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.847 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.92 -31.17 67.72 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.75 -0.78 . . . . 25.0 110.412 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.8 -44.67 96.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.083 -0.247 . . . . 25.0 110.415 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -73.74 -37.83 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.558 -0.857 . . . . 25.0 111.596 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 60.3 mtm -61.26 -40.76 95.29 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 121.957 -0.465 . . . . 25.0 111.409 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 64.8 m -56.76 -35.65 68.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.254 0.549 . . . . 25.0 111.504 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -68.63 -47.57 66.28 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.74 -0.6 . . . . 25.0 109.876 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -39.34 94.31 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.37 -49.21 84.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.447 -0.797 . . . . 25.0 110.654 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.32 -42.64 99.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.044 -0.41 . . . . 25.0 111.303 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -69.99 -19.23 63.35 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.156 0.428 . . . . 25.0 112.156 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.21 -1.93 28.81 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 120.568 0.223 . . . . 25.0 111.016 176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 101.14 14.55 30.58 Favored Glycine 0 C--O 1.228 -0.233 0 C-N-CA 121.544 -0.36 . . . . 25.0 113.924 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -79.92 73.71 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.477 0.656 . . . . 25.0 111.189 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -147.04 157.07 43.5 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.144 -176.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -93.86 17.82 11.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.917 -0.583 . . . . 25.0 110.088 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 24.2 t0 65.97 -47.2 0.41 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.972 2.109 . . . . 25.0 112.407 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -79.76 47.78 0.89 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.824 1.25 . . . . 25.0 108.145 172.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -109.29 50.83 0.77 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.84 -1.073 . . . . 25.0 108.328 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.28 146.94 97.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.668 -0.696 . . . . 25.0 110.348 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -77.23 172.6 15.75 Favored 'Trans proline' 0 C--N 1.345 0.367 0 CA-C-O 121.275 0.448 . . . . 25.0 111.455 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -84.62 -170.94 47.62 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 124.094 1.941 . . . . 25.0 110.111 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.2 87.12 2.42 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 CA-C-N 112.317 -1.941 . . . . 25.0 110.784 -175.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 6.1 t 57.4 -147.66 0.51 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.143 -0.935 . . . . 25.0 111.802 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -139.03 -152.1 5.85 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 109.982 -1.247 . . . . 25.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -56.23 136.21 53.08 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.14 0.495 . . . . 25.0 110.082 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.6 m -73.5 85.6 1.54 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.937 -0.574 . . . . 25.0 112.006 -178.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 68.82 165.99 0.26 Allowed 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 125.365 1.466 . . . . 25.0 112.263 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.89 -76.76 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.532 0.682 . . . . 25.0 110.357 177.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -66.3 -28.31 68.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.279 0.561 . . . . 25.0 112.013 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.42 -33.7 82.22 Favored Glycine 0 C--O 1.223 -0.542 0 CA-C-N 115.591 -0.732 . . . . 25.0 111.976 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -64.57 -46.76 81.34 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 122.331 -0.511 . . . . 25.0 110.333 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -66.59 -35.18 79.57 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.606 -0.438 . . . . 25.0 109.975 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.91 92.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.366 -0.379 . . . . 25.0 110.201 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -37.21 84.28 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 120.739 -0.384 . . . . 25.0 110.353 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -59.66 -34.76 73.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 118.854 0.752 . . . . 25.0 110.721 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.68 -48.62 54.99 Favored Glycine 0 C--O 1.216 -0.999 0 N-CA-C 108.343 -1.903 . . . . 25.0 108.343 176.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.78 -37.06 65.57 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -71.04 -43.38 67.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.176 0.513 . . . . 25.0 110.812 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.92 92.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 25.0 110.189 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.4 m -69.8 -31.45 48.38 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.171 0 C-N-CA 120.43 -0.508 . . . . 25.0 109.825 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.8 72.34 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.704 0.684 . . . . 25.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.54 84.62 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 177.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.73 67.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.52 0.2 . . . . 25.0 111.404 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -69.53 -44.56 70.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.183 0.516 . . . . 25.0 111.11 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 49.7 ptt85 -65.83 -28.14 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -51.57 27.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.67 -0.695 . . . . 25.0 110.608 177.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 11.8 p -62.83 -35.96 73.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 118.555 0.616 . . . . 25.0 109.432 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -62.87 -35.82 81.25 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.745 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.77 90.84 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.797 -0.361 . . . . 25.0 110.372 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -69.66 -35.3 65.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.97 63.75 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.32 -42.38 20.67 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.028 0.442 . . . . 25.0 111.146 175.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 40.7 mtm -59.36 -24.76 63.67 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.58 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 40.1 p -78.83 -27.38 44.28 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 119.549 -0.86 . . . . 25.0 110.174 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -81.68 -36.66 28.48 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -65.86 -22.5 66.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.979 -1.119 . . . . 25.0 107.979 173.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -96.0 6.65 66.84 Favored Glycine 0 C--O 1.229 -0.201 0 CA-C-N 115.578 -0.737 . . . . 25.0 111.476 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 45.9 39.55 5.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.882 1.273 . . . . 25.0 113.408 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -114.55 167.47 10.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.638 -0.71 . . . . 25.0 109.384 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -175.31 -50.16 0.06 OUTLIER Glycine 0 C--O 1.222 -0.634 0 N-CA-C 111.439 -0.664 . . . . 25.0 111.439 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 124.847 2.261 . . . . 25.0 112.879 179.452 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.126 0 CA-C-O 123.89 1.828 . . . . 25.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 41.0 m 71.41 149.99 0.09 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 111.14 -2.53 . . . . 25.0 112.034 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -90.07 -3.27 58.04 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.999 -0.438 . . . . 25.0 112.168 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 40.4 p -160.82 157.24 26.41 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.8 -1.185 . . . . 25.0 107.8 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -155.37 160.74 40.93 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.859 -1.904 . . . . 25.0 105.859 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.5 m -89.48 119.66 30.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.849 0.833 . . . . 25.0 110.062 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.36 -36.69 83.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.704 -1.134 . . . . 25.0 112.78 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.74 -35.88 91.56 Favored Glycine 0 C--O 1.222 -0.617 0 C-N-CA 120.725 -0.75 . . . . 25.0 113.022 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.27 -40.03 95.15 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 108.463 -0.94 . . . . 25.0 108.463 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.56 -32.65 50.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.773 -0.648 . . . . 25.0 110.284 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.2 m -66.48 -37.65 85.57 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.806 -0.559 . . . . 25.0 111.837 177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.19 -36.48 61.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.08 0.943 . . . . 25.0 108.832 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 19.0 ttp -66.31 -26.7 67.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.642 -0.708 . . . . 25.0 110.279 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.7 71.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.077 -0.39 . . . . 25.0 110.579 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.43 80.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.255 -1.017 . . . . 25.0 108.255 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.48 -45.42 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.78 -44.91 86.57 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.699 0.285 . . . . 25.0 110.335 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.2 91.92 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 121.036 -0.266 . . . . 25.0 110.554 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.23 82.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.87 -42.95 97.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 25.0 109.734 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.35 -41.32 98.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.803 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -74.64 -33.68 62.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.102 -1.039 . . . . 25.0 112.021 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 67.7 mtm -66.4 -33.03 74.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.42 0.555 . . . . 25.0 109.921 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.8 m -57.47 -35.7 70.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -67.22 -43.38 82.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.456 -0.777 . . . . 25.0 109.637 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -64.05 -41.65 97.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 22.1 m -69.1 -31.38 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.536 -0.466 . . . . 25.0 111.942 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.08 -36.79 72.38 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -73.65 -10.66 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.96 0.356 . . . . 25.0 111.96 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -72.15 -9.71 58.8 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.804 0.335 . . . . 25.0 110.804 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 105.28 -53.88 0.64 Allowed Glycine 0 C--O 1.23 -0.134 0 N-CA-C 115.312 0.885 . . . . 25.0 115.312 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -160.52 163.94 32.45 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -76.63 143.74 39.96 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 104.827 -2.286 . . . . 25.0 104.827 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -132.22 50.85 2.2 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -56.43 -36.25 68.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.701 -1.136 . . . . 25.0 110.224 -176.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -148.23 35.65 0.82 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 105.813 -1.921 . . . . 25.0 105.813 171.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 49.18 32.22 4.07 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.183 -1.371 . . . . 25.0 113.57 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.74 139.96 96.08 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.1 158.47 41.81 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.758 -1.028 . . . . 25.0 110.715 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -76.05 74.16 1.66 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 115.199 0.839 . . . . 25.0 115.199 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 49.0 t -85.03 127.17 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.323 0.582 . . . . 25.0 110.352 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 37.2 p -69.56 134.91 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 85.99 23.12 46.6 Favored Glycine 0 C--O 1.222 -0.655 0 C-N-CA 120.651 -0.785 . . . . 25.0 114.204 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -55.33 -22.72 20.32 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.339 1.237 . . . . 25.0 114.339 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.5 t 53.39 45.0 29.25 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.205 1.557 . . . . 25.0 115.205 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -56.97 139.33 52.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -105.27 -49.58 3.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.991 0.424 . . . . 25.0 110.24 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -61.42 -40.22 93.64 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.94 -31.01 74.75 Favored Glycine 0 C--O 1.22 -0.749 0 CA-C-N 115.382 -0.826 . . . . 25.0 112.187 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -70.62 -35.53 73.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.044 -0.68 . . . . 25.0 109.616 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -69.87 -35.33 74.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -69.03 -47.0 66.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.574 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.62 -35.2 79.61 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.339 -0.544 . . . . 25.0 111.668 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.68 -26.22 68.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.592 -0.843 . . . . 25.0 110.997 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -76.19 -42.7 23.15 Favored Glycine 0 C--O 1.223 -0.581 0 N-CA-C 108.284 -1.926 . . . . 25.0 108.284 173.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.13 71.53 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.197 0.522 . . . . 25.0 111.731 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.6 -41.86 98.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.046 0.451 . . . . 25.0 110.911 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.73 65.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.348 -0.387 . . . . 25.0 111.162 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.1 m -68.93 -26.57 32.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.115 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.909 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.01 64.49 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.295 0.498 . . . . 25.0 111.719 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.06 74.9 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.73 -38.02 67.57 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.495 ' HA ' HG12 ' A' ' 476' ' ' VAL . 13.3 mt-30 -69.63 -45.42 68.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.287 0.565 . . . . 25.0 112.245 -175.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -62.69 -26.1 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.606 -0.684 . . . . 25.0 109.637 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.28 -50.14 15.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.762 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 473' ' ' GLN . 9.2 p -63.8 -38.7 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -62.68 -34.22 76.68 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.283 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.56 99.72 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.688 -0.633 . . . . 25.0 110.019 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 479' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 476' ' ' VAL . 3.9 mt -71.92 -33.6 48.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.55 -26.93 62.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.587 0.708 . . . . 25.0 109.841 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.7 mt -80.6 -41.92 23.15 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.477 0.656 . . . . 25.0 109.728 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.2 mtm -63.65 -26.63 68.76 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 116.259 -0.428 . . . . 25.0 111.771 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.2 p -75.5 -37.3 60.24 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.507 -0.877 . . . . 25.0 109.593 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -80.23 -34.89 36.87 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.852 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -71.67 -31.07 66.41 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.875 -0.516 . . . . 25.0 109.916 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -84.63 10.5 61.89 Favored Glycine 0 C--O 1.227 -0.325 0 CA-C-N 116.43 -0.35 . . . . 25.0 112.869 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 54.49 32.39 16.67 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -102.18 -155.68 0.53 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 141.13 -33.92 1.97 Allowed Glycine 0 C--O 1.22 -0.776 0 CA-C-O 122.308 0.949 . . . . 25.0 111.585 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.21 -0.989 0 CA-C-O 124.124 1.916 . . . . 25.0 111.425 178.768 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 122.36 0.978 . . . . 25.0 112.199 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -16.83 52.85 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.279 -1.13 . . . . 25.0 112.771 -179.26 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -62.99 -6.25 3.72 Favored 'General case' 0 C--O 1.21 -0.995 0 N-CA-C 113.575 0.954 . . . . 25.0 113.575 178.756 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 87.4 p -80.2 2.84 22.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.961 -0.462 . . . . 25.0 110.018 176.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -153.58 -70.01 0.14 Allowed 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 -179.456 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 5.5 m 47.19 12.93 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 118.162 2.653 . . . . 25.0 118.162 -177.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 63.94 -56.99 0.22 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.805 1.642 . . . . 25.0 114.838 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.04 -36.89 73.05 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 121.039 -0.601 . . . . 25.0 112.38 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.17 -26.72 67.55 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 27.5 t -66.26 -35.9 76.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 109.983 -0.377 . . . . 25.0 109.983 178.336 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 46.0 m -67.37 -40.45 85.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 25.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -71.58 -33.68 69.26 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 37.0 ttp -66.12 -38.52 88.39 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.532 -0.544 . . . . 25.0 109.532 178.196 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.71 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.012 0.434 . . . . 25.0 110.642 177.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.77 -45.99 66.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.835 0.35 . . . . 25.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.3 p -71.16 -31.25 43.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-O 120.621 0.248 . . . . 25.0 110.861 -178.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -53.27 -43.18 67.23 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 120.765 0.317 . . . . 25.0 110.691 176.504 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.1 87.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.044 0.45 . . . . 25.0 110.698 -179.655 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -71.53 -41.73 68.8 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.318 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.14 -41.07 97.91 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.735 0.779 . . . . 25.0 109.671 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.04 -45.59 92.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.482 -0.781 . . . . 25.0 111.587 178.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -73.71 -32.15 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.848 -0.741 . . . . 25.0 111.381 178.492 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.5 tpp -60.34 -41.18 93.08 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.753 -0.832 . . . . 25.0 108.753 176.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 47.9 m -61.22 -37.43 82.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.369 -0.378 . . . . 25.0 110.297 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -67.61 -43.04 81.38 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 177.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -61.35 -45.4 94.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -178.001 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.5 -35.3 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 -178.678 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 77.5 mt -68.19 -37.54 81.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.596 0.236 . . . . 25.0 110.366 178.142 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -70.69 -30.06 66.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.81 0.338 . . . . 25.0 110.392 178.685 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -84.77 14.64 4.54 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -71.14 96.2 0.61 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.099 -0.572 . . . . 25.0 113.029 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -139.53 -174.26 3.84 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.583 -1.265 . . . . 25.0 107.583 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.76 155.66 33.0 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.925 -1.034 . . . . 25.0 110.132 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -145.19 25.18 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -78.33 -29.7 47.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.834 -175.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.14 22.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.428 -0.806 . . . . 25.0 112.894 -177.879 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -101.28 23.09 11.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 -175.392 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.9 143.3 97.93 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-O 121.057 0.456 . . . . 25.0 111.803 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.56 120.89 6.07 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 N-CA-C 115.985 1.494 . . . . 25.0 115.985 -177.07 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -95.36 93.76 1.64 Allowed Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.145 -0.934 . . . . 25.0 113.512 178.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.52 130.61 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 178.772 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 75.0 p -148.41 170.85 17.07 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 -178.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -72.47 131.69 17.15 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 120.837 -0.697 . . . . 25.0 111.547 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -56.16 -37.96 70.25 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -177.385 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m 50.61 -147.42 0.38 Allowed 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.461 0.475 . . . . 25.0 111.432 178.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 62.4 165.47 0.11 Allowed 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 116.951 2.204 . . . . 25.0 116.951 175.198 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -105.88 -76.76 0.6 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.174 -1.376 . . . . 25.0 109.919 176.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -64.18 -29.78 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.402 0.62 . . . . 25.0 111.436 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.21 -32.62 72.22 Favored Glycine 0 C--O 1.22 -0.724 0 CA-C-N 115.482 -0.781 . . . . 25.0 112.362 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.59 -34.99 79.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.196 -0.591 . . . . 25.0 111.328 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -73.6 -31.81 63.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.048 0.451 . . . . 25.0 110.019 -179.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.26 -46.35 56.28 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 177.555 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -35.11 78.32 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 119.451 -0.309 . . . . 25.0 111.453 -178.024 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.97 -27.61 68.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.246 -0.982 . . . . 25.0 110.739 178.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.77 -45.79 50.14 Favored Glycine 0 C--O 1.218 -0.881 0 N-CA-C 107.167 -2.373 . . . . 25.0 107.167 174.182 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.27 68.98 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.761 0.315 . . . . 25.0 111.408 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -66.75 -42.67 85.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.004 0.431 . . . . 25.0 111.501 178.669 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.68 82.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.121 0.486 . . . . 25.0 110.301 -178.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.64 -26.5 28.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.464 -0.335 . . . . 25.0 110.632 -179.396 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.1 64.82 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 117.924 0.329 . . . . 25.0 111.758 -178.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.39 94.35 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 177.324 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -33.55 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.711 0.291 . . . . 25.0 110.623 177.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.414 ' HA ' HG12 ' A' ' 476' ' ' VAL . 82.0 mm-40 -70.11 -45.83 66.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.04 0.447 . . . . 25.0 111.573 -179.051 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -64.29 -27.03 68.75 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.12 -0.632 . . . . 25.0 109.436 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.62 -51.44 23.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.969 -0.56 . . . . 25.0 110.342 177.291 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.1 p -63.69 -36.55 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -177.376 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -64.25 -35.02 79.47 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.002 -0.544 . . . . 25.0 110.333 177.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.16 92.78 Favored 'General case' 0 C--O 1.223 -0.34 0 O-C-N 121.923 -0.486 . . . . 25.0 110.351 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -71.58 -32.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 -179.516 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.54 -27.49 67.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.2 mt -79.15 -44.15 22.54 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 177.084 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 43.8 mtm -60.48 -29.49 69.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.12 0.486 . . . . 25.0 111.53 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 21.5 p -80.5 -32.64 36.9 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.918 -0.713 . . . . 25.0 110.647 -176.169 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -81.37 -29.44 34.02 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 119.877 -0.729 . . . . 25.0 110.109 175.13 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -67.96 -38.39 82.71 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.704 -0.623 . . . . 25.0 109.772 178.186 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -70.6 -8.57 63.48 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 115.346 0.899 . . . . 25.0 115.346 -178.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -120.79 -1.27 9.99 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 117.368 0.584 . . . . 25.0 111.813 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -78.45 140.67 38.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.89 0.376 . . . . 25.0 110.586 -178.158 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -115.85 14.27 17.05 Favored Glycine 0 C--O 1.225 -0.431 0 N-CA-C 110.268 -1.133 . . . . 25.0 110.268 176.662 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 124.03 1.872 . . . . 25.0 113.099 -177.139 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.023 0 CA-C-O 124.165 1.981 . . . . 25.0 113.095 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 16.8 m -63.95 146.09 54.69 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 114.206 -0.997 . . . . 25.0 110.39 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -143.79 157.36 44.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.972 -1.492 . . . . 25.0 106.972 -178.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 14.7 m -67.33 159.44 29.31 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 177.41 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -62.15 156.6 21.3 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.642 -0.873 . . . . 25.0 108.642 176.301 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 15.4 m -83.52 140.73 32.1 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 122.051 0.929 . . . . 25.0 108.568 179.434 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.13 -18.63 61.27 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.175 -0.921 . . . . 25.0 109.565 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.04 -37.73 92.1 Favored Glycine 0 C--O 1.213 -1.175 0 N-CA-C 110.098 -1.201 . . . . 25.0 110.098 175.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.91 -38.8 92.39 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.12 -35.04 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.123 -0.49 . . . . 25.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 12.0 t -69.06 -40.45 78.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.867 0.365 . . . . 25.0 110.2 178.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -67.23 -35.27 79.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.32 -0.993 . . . . 25.0 108.32 178.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -36.8 84.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.21 -0.45 . . . . 25.0 110.577 179.01 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.56 -30.22 69.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.792 -0.448 . . . . 25.0 109.792 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.64 80.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 177.473 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 64.7 t -66.16 -45.29 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 177.608 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -58.79 -42.42 89.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 25.0 110.161 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.69 90.8 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.25 -0.281 . . . . 25.0 111.441 178.881 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.6 92.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.59 -45.76 92.79 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.74 -44.38 93.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.731 -0.668 . . . . 25.0 112.38 -179.37 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.81 -35.22 64.85 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.532 -0.867 . . . . 25.0 111.871 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.28 -39.55 92.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.413 0.551 . . . . 25.0 110.186 178.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 95.0 m -53.14 -32.94 50.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.297 0.57 . . . . 25.0 111.294 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -62.03 -48.72 79.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.027 0.442 . . . . 25.0 111.032 -178.276 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -72.49 -40.18 67.09 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 179.309 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -57.16 -44.53 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.249 -0.887 . . . . 25.0 112.969 -178.071 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 55.1 mt -61.28 -38.25 86.08 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -178.36 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -76.31 -18.69 58.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 178.75 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -87.5 -30.26 20.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.652 0.263 . . . . 25.0 110.935 178.829 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 145.37 -126.67 2.64 Favored Glycine 0 C--O 1.228 -0.223 0 N-CA-C 110.978 -0.849 . . . . 25.0 110.978 -178.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -151.04 136.62 17.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 52.57 -173.39 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 117.014 2.228 . . . . 25.0 117.014 -179.102 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -135.08 29.7 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 103.676 -2.713 . . . . 25.0 103.676 177.441 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 26.6 t70 69.46 -58.61 0.51 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.174 1.79 . . . . 25.0 113.155 -173.048 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -80.57 14.17 2.19 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.517 0.932 . . . . 25.0 113.517 -178.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -95.65 51.71 1.3 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.138 -0.937 . . . . 25.0 110.832 -174.032 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.43 140.54 92.62 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 106.929 -1.508 . . . . 25.0 106.929 174.434 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -77.39 166.12 26.51 Favored 'Trans proline' 0 C--N 1.344 0.309 0 CA-C-O 121.722 0.634 . . . . 25.0 113.469 -177.568 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -158.38 -156.26 7.92 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.116 -1.194 . . . . 25.0 110.116 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 45.4 t -71.92 -25.85 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 110.009 -0.367 . . . . 25.0 110.009 179.377 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 38.4 m 57.0 25.38 10.62 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -179.472 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -165.83 157.69 30.26 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 109.651 -1.38 . . . . 25.0 109.651 177.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -80.93 -25.83 37.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.505 0.669 . . . . 25.0 110.198 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 70.7 p -74.43 146.36 42.94 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -63.98 151.91 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 106.654 -1.61 . . . . 25.0 106.654 175.792 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -105.76 -74.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.549 0.574 . . . . 25.0 112.549 178.425 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -60.12 -30.84 69.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.967 1.099 . . . . 25.0 113.967 -174.251 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -64.12 -35.94 92.62 Favored Glycine 0 C--O 1.226 -0.346 0 N-CA-C 110.655 -0.978 . . . . 25.0 110.655 177.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -73.31 -38.6 65.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 122.295 -0.532 . . . . 25.0 110.189 179.366 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -61.57 -36.73 81.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 178.593 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.13 -48.53 43.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.2 -36.97 82.84 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.399 -0.52 . . . . 25.0 111.406 -178.331 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.55 -28.23 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.621 -0.674 . . . . 25.0 109.335 178.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.86 -46.24 68.55 Favored Glycine 0 C--O 1.216 -1.014 0 N-CA-C 107.729 -2.148 . . . . 25.0 107.729 175.186 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.18 -36.72 66.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 117.02 0.41 . . . . 25.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -71.98 -41.51 67.57 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 113.284 0.846 . . . . 25.0 113.284 179.186 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.05 81.54 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.349 -0.841 . . . . 25.0 111.241 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.1 m -67.71 -26.59 35.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 116.224 -0.443 . . . . 25.0 110.532 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.82 -32.29 65.58 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.156 0.434 . . . . 25.0 110.961 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.82 -38.27 88.49 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 177.271 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.76 66.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.622 -0.263 . . . . 25.0 110.536 177.27 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.447 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.0 mm-40 -69.56 -46.45 66.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.072 -0.392 . . . . 25.0 111.664 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -63.6 -27.52 69.3 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 178.373 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.57 -52.5 15.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.64 . . . . 25.0 110.756 177.224 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -63.35 -36.0 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 118.675 0.671 . . . . 25.0 109.556 -176.057 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -63.29 -35.34 80.02 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.009 -0.542 . . . . 25.0 110.344 178.291 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.4 96.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.116 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -70.7 -34.73 57.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 109.662 -0.495 . . . . 25.0 109.662 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.05 -26.97 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.261 0.553 . . . . 25.0 109.904 178.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.6 mt -80.05 -43.51 21.73 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.681 -0.489 . . . . 25.0 109.681 176.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.8 mtm -61.2 -28.57 69.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.088 0.471 . . . . 25.0 111.571 -179.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.6 p -77.25 -15.23 59.55 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.12 -0.632 . . . . 25.0 111.904 -175.2 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -107.03 -36.82 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.097 0.248 . . . . 25.0 110.907 174.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.98 -30.05 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.025 -0.422 . . . . 25.0 110.875 179.437 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -62.35 -15.27 51.5 Favored Glycine 0 C--O 1.223 -0.533 0 C-N-CA 121.2 -0.524 . . . . 25.0 113.778 178.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 87.3 mtm-85 -132.2 26.57 4.52 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.439 0.619 . . . . 25.0 109.999 177.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -76.4 -18.26 58.94 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.694 0.257 . . . . 25.0 111.694 -178.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 80.76 -48.88 3.8 Favored Glycine 0 C--O 1.224 -0.522 0 CA-C-O 121.554 0.53 . . . . 25.0 112.559 -179.641 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--O 1.212 -0.891 0 CA-C-O 124.28 1.991 . . . . 25.0 111.358 178.117 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.649 0 CA-C-O 124.118 1.955 . . . . 25.0 110.489 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 7.8 t 59.39 43.3 16.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 111.953 -2.124 . . . . 25.0 112.485 178.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -132.82 137.46 46.77 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 177.622 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 14.6 m 58.03 -170.63 0.11 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 124.654 1.221 . . . . 25.0 113.285 179.207 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -159.71 169.93 22.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.081 -2.563 . . . . 25.0 104.081 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.401 ' HB3' ' HG2' ' A' ' 419' ' ' GLU . 18.8 t -108.16 144.28 35.78 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 107.331 -1.359 . . . . 25.0 107.331 175.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.06 -29.18 70.34 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.349 -1.296 . . . . 25.0 111.793 -176.351 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.49 -42.42 93.7 Favored Glycine 0 C--O 1.217 -0.921 0 N-CA-C 110.292 -1.123 . . . . 25.0 110.292 178.23 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.401 ' HG2' ' HB3' ' A' ' 416' ' ' SER . 42.0 mm-40 -62.69 -37.1 85.12 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 -178.904 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.94 -33.88 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.062 0.458 . . . . 25.0 110.28 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 46.7 m -67.17 -39.72 86.49 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 178.86 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -74.88 -29.68 61.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.202 178.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.3 ttm -60.55 -38.79 85.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 25.0 109.902 178.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.15 72.23 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.024 0.44 . . . . 25.0 110.673 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.05 68.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.212 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.81 -43.3 86.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -58.77 -43.99 90.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.242 0.544 . . . . 25.0 109.688 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.52 94.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.824 -0.548 . . . . 25.0 110.506 178.835 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.25 87.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.268 -0.423 . . . . 25.0 111.874 -178.584 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.76 -33.3 73.67 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.724 -0.79 . . . . 25.0 110.27 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.99 -37.63 86.44 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 122.031 -0.418 . . . . 25.0 111.062 178.047 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.67 -32.16 53.01 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 119.535 -0.866 . . . . 25.0 111.38 175.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 57.3 mtm -65.19 -31.48 72.68 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.455 -0.778 . . . . 25.0 110.227 177.532 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 86.2 m -55.42 -29.48 58.66 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.667 0.746 . . . . 25.0 110.329 177.01 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -69.24 -42.6 75.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.466 -0.771 . . . . 25.0 109.747 -179.288 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.24 -34.83 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.73 -0.47 . . . . 25.0 109.73 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.03 -40.25 80.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 25.0 109.844 177.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.9 mt -71.32 -13.63 61.94 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.983 0.735 . . . . 25.0 112.983 178.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 57.7 m170 -95.2 -8.3 36.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.788 0.328 . . . . 25.0 110.745 178.21 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -78.74 150.88 32.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 179.808 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -68.83 -49.82 39.79 Favored Glycine 0 C--O 1.229 -0.192 0 N-CA-C 109.332 -1.507 . . . . 25.0 109.332 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -173.38 166.82 4.76 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 103.863 -2.643 . . . . 25.0 103.863 175.585 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -157.8 165.09 36.21 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 104.117 -2.549 . . . . 25.0 104.117 178.011 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -141.13 26.06 2.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 118.133 0.424 . . . . 25.0 110.279 -176.266 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.15 -30.18 69.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.571 -0.741 . . . . 25.0 110.117 -176.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -142.49 39.18 1.55 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 48.06 43.88 18.51 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 114.645 -1.161 . . . . 25.0 112.695 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.6 153.22 95.37 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 116.775 2.139 . . . . 25.0 116.775 -173.524 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -78.17 171.71 16.63 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.188 1.258 . . . . 25.0 111.629 175.578 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -105.18 -70.27 0.78 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 117.706 1.843 . . . . 25.0 117.706 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 18.6 t -82.9 90.94 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 121.357 -1.084 . . . . 25.0 113.378 -173.726 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 63.5 p -119.64 -7.06 10.14 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.509 0.559 . . . . 25.0 112.509 176.405 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -76.19 68.68 2.31 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 117.543 1.777 . . . . 25.0 117.543 -176.122 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -77.09 146.97 36.92 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 122.213 -0.581 . . . . 25.0 109.866 177.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 32.6 t -150.17 150.25 31.35 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 122.304 -0.248 . . . . 25.0 110.912 178.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 63.19 145.11 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.856 1.662 . . . . 25.0 114.983 -179.076 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -110.71 -76.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.475 -0.784 . . . . 25.0 112.485 178.439 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.13 -31.84 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.172 0.987 . . . . 25.0 109.672 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.62 -31.24 74.35 Favored Glycine 0 C--O 1.219 -0.794 0 CA-C-N 114.286 -1.325 . . . . 25.0 113.053 -179.497 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.45 -49.02 75.33 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 118.214 1.007 . . . . 25.0 110.171 -179.655 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -69.05 -36.35 77.59 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.975 -0.69 . . . . 25.0 110.072 -178.81 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.78 88.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.474 -0.33 . . . . 25.0 110.162 178.429 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -38.89 86.61 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 119.218 -0.42 . . . . 25.0 110.94 -179.455 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -56.34 -40.24 74.13 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.125 0.875 . . . . 25.0 110.785 177.736 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.14 -49.74 38.3 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 109.594 -1.403 . . . . 25.0 109.594 177.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.02 -37.11 66.22 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -179.03 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -72.22 -42.94 65.16 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.997 -0.44 . . . . 25.0 110.31 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.42 91.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 25.0 110.022 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -70.67 -30.5 42.52 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.195 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.88 -35.89 71.63 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.885 0.766 . . . . 25.0 110.927 -179.615 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.43 87.5 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 177.554 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.82 67.26 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.726 -0.215 . . . . 25.0 111.158 177.002 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.472 ' HA ' HG12 ' A' ' 476' ' ' VAL . 65.3 mm-40 -69.26 -45.66 69.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.723 -0.611 . . . . 25.0 112.334 -179.067 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.52 -27.2 68.99 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 178.519 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.6 tp -76.33 -51.8 11.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.681 177.711 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.5 p -63.05 -36.93 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 118.587 0.63 . . . . 25.0 110.016 -175.923 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -64.73 -34.16 77.68 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.437 178.438 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.43 98.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.508 -0.477 . . . . 25.0 109.723 179.624 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 479' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 476' ' ' VAL . 4.0 mt -70.11 -35.8 65.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 -179.449 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.36 -27.0 61.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.443 0.64 . . . . 25.0 109.66 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.9 -42.41 21.46 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.112 0.482 . . . . 25.0 109.871 177.493 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.1 mtm -60.78 -30.52 70.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.873 0.368 . . . . 25.0 110.785 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 30.6 p -78.11 -13.88 59.7 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.512 -0.475 . . . . 25.0 112.173 -176.489 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -107.33 -26.87 10.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.742 0.275 . . . . 25.0 111.742 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -78.4 -39.94 37.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 118.41 0.55 . . . . 25.0 110.206 175.182 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -76.8 -11.66 85.22 Favored Glycine 0 C--O 1.221 -0.679 0 N-CA-C 115.167 0.827 . . . . 25.0 115.167 -176.128 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -90.53 2.13 56.05 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 117.625 0.713 . . . . 25.0 111.586 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.12 130.33 35.39 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -145.72 41.73 1.01 Allowed Glycine 0 C--O 1.223 -0.544 0 CA-C-O 122.418 1.01 . . . . 25.0 112.288 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 C--O 1.211 -0.933 0 CA-C-O 123.314 1.53 . . . . 25.0 112.413 -178.233 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 411' ' ' GLY . . . . . 0.461 ' N ' HH21 ' A' ' 413' ' ' ARG . . . . . . . . 0 N--CA 1.501 3.019 0 CA-C-O 122.219 0.9 . . . . 25.0 112.724 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 20.7 m -64.24 135.95 56.74 Favored 'General case' 0 C--O 1.226 -0.147 0 O-C-N 121.017 -1.284 . . . . 25.0 109.531 178.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.461 HH21 ' N ' ' A' ' 411' ' ' GLY . 0.2 OUTLIER -128.59 -39.6 1.64 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.416 -0.356 . . . . 25.0 111.353 -179.253 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 10.6 m 66.6 -48.66 0.45 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 116.324 1.972 . . . . 25.0 116.324 178.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -158.84 164.97 35.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.408 ' HB2' ' HG2' ' A' ' 419' ' ' GLU . 71.6 m -93.69 127.19 39.27 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 176.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.11 -28.04 69.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.653 -1.158 . . . . 25.0 112.719 -175.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.0 -40.81 98.57 Favored Glycine 0 C--O 1.219 -0.84 0 C-N-CA 120.783 -0.722 . . . . 25.0 112.128 179.683 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 416' ' ' SER . 6.7 mm-40 -62.9 -40.4 97.46 Favored 'General case' 0 C--O 1.206 -1.231 0 CA-C-N 117.319 0.559 . . . . 25.0 110.15 -177.917 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.84 -32.7 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 120.961 0.41 . . . . 25.0 110.254 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -66.24 -40.57 90.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 178.149 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -74.64 -31.29 61.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.473 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 23.8 ttm -61.62 -36.05 79.64 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.304 0.573 . . . . 25.0 110.866 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.06 75.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.637 179.357 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.1 69.81 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 178.662 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.56 -47.67 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.72 -46.04 91.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.852 0.358 . . . . 25.0 110.693 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.82 92.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.992 -0.442 . . . . 25.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.65 72.0 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 116.06 -0.518 . . . . 25.0 111.728 -178.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -69.85 -31.73 69.74 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.864 -0.734 . . . . 25.0 111.036 -177.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.43 -42.99 98.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 177.559 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -75.31 -32.4 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.114 -1.034 . . . . 25.0 112.405 176.009 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.8 tpp -59.81 -33.67 72.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.468 -0.568 . . . . 25.0 109.468 176.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 57.3 m -58.29 -33.87 69.93 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.102 0.477 . . . . 25.0 110.705 178.188 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -69.63 -47.95 61.65 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.117 -1.068 . . . . 25.0 108.117 178.651 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 -177.591 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.45 -33.08 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.2 -20.88 60.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.363 -0.381 . . . . 25.0 111.946 178.351 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -94.15 -5.58 46.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.789 0.328 . . . . 25.0 110.418 176.782 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -104.31 167.41 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.065 0.46 . . . . 25.0 109.853 -178.546 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -78.45 -31.13 47.09 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.566 -0.826 . . . . 25.0 113.118 179.565 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -160.58 103.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.88 0.34 . . . . 25.0 110.612 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 56.06 -160.6 0.2 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.194 0.597 . . . . 25.0 111.156 177.041 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -129.68 63.61 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.551 -0.907 . . . . 25.0 108.551 179.007 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 9.7 t0 54.7 15.04 0.97 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.073 1.508 . . . . 25.0 115.073 177.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.5 t0 60.75 30.63 19.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.369 -1.287 . . . . 25.0 112.118 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -85.6 50.49 1.97 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.725 -1.125 . . . . 25.0 108.83 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.95 155.77 70.46 Favored Pre-proline 0 CA--C 1.556 1.21 0 CA-C-N 114.197 -1.365 . . . . 25.0 111.918 179.489 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -79.87 -13.67 12.85 Favored 'Trans proline' 0 C--N 1.35 0.619 0 N-CA-C 117.701 2.154 . . . . 25.0 117.701 -173.209 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -87.6 7.58 80.48 Favored Glycine 0 CA--C 1.506 -0.518 0 CA-C-O 122.795 1.219 . . . . 25.0 113.079 -177.058 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.1 -17.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 113.245 -1.478 . . . . 25.0 112.371 -179.425 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 22.9 t -149.92 -46.49 0.13 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.506 1.298 . . . . 25.0 114.506 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 80.01 -63.1 4.13 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.317 -0.713 . . . . 25.0 111.317 -176.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 52.25 39.66 27.49 Favored 'General case' 0 CA--C 1.543 0.712 0 N-CA-C 114.601 1.334 . . . . 25.0 114.601 177.175 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.7 m -54.23 139.69 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.258 0.551 . . . . 25.0 110.456 178.621 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -132.92 155.35 49.25 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -172.642 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -105.71 -62.2 1.4 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.651 0.739 . . . . 25.0 110.168 171.7 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -61.95 -28.91 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -65.05 -33.91 88.41 Favored Glycine 0 C--O 1.225 -0.415 0 N-CA-C 110.85 -0.9 . . . . 25.0 110.85 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -68.06 -39.79 82.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.86 -0.792 . . . . 25.0 108.86 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -66.26 -34.42 77.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.616 -0.434 . . . . 25.0 109.844 178.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.71 90.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.349 -0.387 . . . . 25.0 110.484 178.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -35.38 80.43 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.588 -0.523 . . . . 25.0 109.588 179.379 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.18 -35.83 76.24 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.407 0.623 . . . . 25.0 109.991 176.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.91 -46.26 68.07 Favored Glycine 0 C--O 1.219 -0.803 0 N-CA-C 108.908 -1.677 . . . . 25.0 108.908 177.555 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.83 -39.6 65.72 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.617 0.367 . . . . 25.0 111.758 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -65.36 -44.73 86.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.237 0.542 . . . . 25.0 111.282 179.02 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.81 -44.2 74.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 25.0 111.534 -177.64 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.8 m -68.29 -26.64 34.4 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 116.582 -0.281 . . . . 25.0 110.757 -178.542 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -54.65 -34.02 61.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.71 0.232 . . . . 25.0 111.588 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.0 89.03 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.918 0.389 . . . . 25.0 110.417 177.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -37.05 67.81 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 177.051 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.452 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.9 mm-40 -65.7 -46.55 78.56 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.595 0.591 . . . . 25.0 112.595 -178.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -62.5 -27.77 69.37 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -52.58 10.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.915 177.397 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.6 p -63.64 -36.35 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 118.785 0.72 . . . . 25.0 109.875 -174.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -62.69 -36.17 82.06 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.09 178.347 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.88 91.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.344 -178.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.03 -33.82 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.173 -0.611 . . . . 25.0 109.98 -178.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.67 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.439 0.638 . . . . 25.0 109.44 179.387 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.49 -42.84 42.07 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 121.391 0.615 . . . . 25.0 110.124 178.228 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.2 mtm -63.76 -27.21 69.04 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 120.688 -0.405 . . . . 25.0 111.97 -179.376 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.5 p -83.17 -34.6 25.94 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.903 -0.719 . . . . 25.0 109.745 -176.543 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -79.58 -26.05 41.41 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.036 -0.666 . . . . 25.0 110.712 177.257 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.58 -17.15 45.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 O-C-N 121.71 -0.619 . . . . 25.0 111.476 176.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 70.21 27.65 72.56 Favored Glycine 0 C--O 1.226 -0.397 0 N-CA-C 111.015 -0.834 . . . . 25.0 111.015 -176.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -121.94 35.95 4.75 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 122.389 -0.477 . . . . 25.0 111.686 -175.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.13 64.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.946 -0.57 . . . . 25.0 111.123 177.881 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 80.98 -60.43 4.67 Favored Glycine 0 C--O 1.225 -0.437 0 N-CA-C 111.343 -0.703 . . . . 25.0 111.343 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 10.1 m . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 124.433 2.063 . . . . 25.0 111.503 178.374 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.5 0 CA-C-O 123.727 1.737 . . . . 25.0 113.228 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 93.3 p -129.77 163.94 25.11 Favored 'General case' 0 CA--C 1.521 -0.136 0 O-C-N 120.941 -1.329 . . . . 25.0 109.643 -179.47 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -60.55 -36.19 77.87 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.265 0.555 . . . . 25.0 110.57 178.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 1.8 p -165.71 148.21 7.51 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 101.288 -3.597 . . . . 25.0 101.288 176.368 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -71.83 -29.96 64.96 Favored 'General case' 0 C--O 1.205 -1.262 0 C-N-CA 120.285 -0.566 . . . . 25.0 111.847 -177.124 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 18.8 m 27.42 127.64 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.187 1 N-CA-C 122.324 4.194 . . . . 25.0 122.324 178.27 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -53.57 -33.02 53.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.344 -1.298 . . . . 25.0 114.298 -176.049 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.92 -41.98 80.08 Favored Glycine 0 C--O 1.22 -0.757 0 C-N-CA 120.26 -0.971 . . . . 25.0 110.937 177.466 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -65.06 -37.98 89.32 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.84 -34.8 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-O 120.843 0.354 . . . . 25.0 110.525 178.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 42.5 m -66.64 -39.87 88.45 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.542 -0.463 . . . . 25.0 109.795 179.451 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -75.81 -27.5 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.947 0.404 . . . . 25.0 110.539 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 40.5 ttm -58.6 -33.01 69.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.208 0.603 . . . . 25.0 111.364 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.48 77.48 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.22 0.533 . . . . 25.0 110.597 178.353 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.94 -34.81 59.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 178.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.98 -47.03 92.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 N-CA-C 108.763 -0.829 . . . . 25.0 108.763 178.406 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.8 -43.24 90.5 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.932 -0.307 . . . . 25.0 110.499 179.413 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.07 95.76 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.957 -0.297 . . . . 25.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.68 73.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.316 -0.402 . . . . 25.0 111.049 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.18 -44.62 96.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.563 0.697 . . . . 25.0 109.488 -179.456 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.0 -42.8 95.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.511 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.81 -34.8 64.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.167 -1.013 . . . . 25.0 112.37 178.736 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 73.1 mtm -64.28 -37.3 87.0 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 178.085 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 40.2 m -59.87 -39.19 84.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.003 0.43 . . . . 25.0 110.471 177.544 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -64.71 -47.63 77.6 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 178.647 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.42 -43.8 92.98 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.7 -1.136 . . . . 25.0 113.403 -178.019 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.3 m -69.99 -35.05 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 112.493 0.553 . . . . 25.0 112.493 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.8 mt -71.48 -19.13 62.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.855 0.359 . . . . 25.0 111.526 177.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -91.39 -2.8 57.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.771 0.32 . . . . 25.0 110.342 177.185 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -103.78 164.83 11.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.528 . . . . 25.0 110.051 -179.045 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -84.17 115.05 4.0 Favored Glycine 0 N--CA 1.453 -0.192 0 N-CA-C 109.547 -1.421 . . . . 25.0 109.547 177.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -142.18 175.35 9.82 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 106.638 -1.616 . . . . 25.0 106.638 -178.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -79.39 158.38 27.4 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.275 -1.33 . . . . 25.0 109.217 -178.876 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -113.31 49.18 0.98 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.199 -1.037 . . . . 25.0 108.199 178.314 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.34 -34.51 63.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.543 -0.753 . . . . 25.0 110.039 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.42 -62.84 1.23 Allowed 'General case' 0 CA--C 1.499 -1.017 0 CA-C-O 124.592 2.139 . . . . 25.0 112.131 -176.2 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 42.32 44.77 3.48 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 108.839 -3.801 . . . . 25.0 113.53 178.42 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.87 147.37 99.09 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-O 121.142 0.496 . . . . 25.0 112.131 -177.516 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -80.07 153.84 22.13 Favored 'Trans proline' 0 C--N 1.347 0.473 0 CA-C-O 121.717 0.632 . . . . 25.0 113.106 179.579 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -152.53 136.08 5.23 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.944 -1.262 . . . . 25.0 109.944 178.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.58 136.76 25.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.467 -1.309 . . . . 25.0 107.467 178.802 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 69.4 m -134.72 164.41 27.6 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.021 -0.363 . . . . 25.0 110.021 -176.275 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 175.83 -38.21 0.1 Allowed Glycine 0 C--O 1.228 -0.25 0 C-N-CA 121.208 -0.52 . . . . 25.0 112.005 -179.542 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 54.19 19.85 2.33 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.693 1.368 . . . . 25.0 114.693 177.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 55.0 p -153.44 161.6 42.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 -178.37 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -156.6 142.28 17.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -105.74 -67.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.451 0.643 . . . . 25.0 109.773 174.022 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -62.43 -30.21 71.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.326 0.584 . . . . 25.0 111.561 -179.449 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.53 -32.35 77.71 Favored Glycine 0 C--O 1.221 -0.689 0 CA-C-N 115.595 -0.729 . . . . 25.0 111.91 178.237 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.66 -40.05 92.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.166 -0.608 . . . . 25.0 109.639 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -68.85 -36.85 78.64 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.499 -0.556 . . . . 25.0 109.499 -179.304 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.03 92.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.148 -0.478 . . . . 25.0 110.219 177.657 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -35.48 80.67 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 120.795 -0.362 . . . . 25.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -56.89 -37.13 70.97 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.764 0.711 . . . . 25.0 110.128 175.737 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.84 -47.91 52.16 Favored Glycine 0 C--O 1.218 -0.851 0 N-CA-C 109.392 -1.483 . . . . 25.0 109.392 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.41 -39.26 64.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.49 -42.71 82.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.189 0.519 . . . . 25.0 111.131 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.66 -44.3 74.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 25.0 110.963 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 20.9 m -68.81 -26.52 32.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-N 116.614 -0.266 . . . . 25.0 110.774 -178.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.46 65.25 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 117.836 0.289 . . . . 25.0 111.047 179.405 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.29 78.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.618 0.247 . . . . 25.0 110.593 178.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -76.85 -36.57 56.71 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 120.56 0.219 . . . . 25.0 110.613 175.488 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.447 ' HA ' HG12 ' A' ' 476' ' ' VAL . 52.5 mm-40 -66.35 -46.08 78.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 -178.143 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -61.19 -28.71 69.33 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.133 -0.691 . . . . 25.0 109.133 178.565 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -50.68 13.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.7 p -63.43 -35.57 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 -176.562 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.84 -36.17 82.36 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.022 -0.536 . . . . 25.0 110.474 178.353 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.53 98.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.317 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -72.75 -31.78 38.07 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.53 65.98 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.288 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.6 mt -77.38 -45.28 26.48 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 177.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.5 mtm -62.12 -28.81 69.89 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.121 0.486 . . . . 25.0 111.393 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 28.2 p -85.87 -17.79 34.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.28 -0.568 . . . . 25.0 111.664 -176.626 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -93.38 -23.58 18.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 173.436 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.94 -36.67 62.11 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 173.587 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -79.49 41.97 2.36 Favored Glycine 0 C--O 1.225 -0.444 0 N-CA-C 115.175 0.83 . . . . 25.0 115.175 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -105.02 31.84 4.58 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.43 0.615 . . . . 25.0 110.376 179.379 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -76.35 58.57 1.31 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.07 -0.514 . . . . 25.0 112.288 -179.269 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -116.66 43.65 1.61 Allowed Glycine 0 C--O 1.226 -0.402 0 N-CA-C 111.181 -0.768 . . . . 25.0 111.181 -179.411 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.21 -1.004 0 CA-C-O 123.554 1.645 . . . . 25.0 110.952 -177.643 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.849 0 CA-C-O 124.611 2.228 . . . . 25.0 111.014 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 26.2 p -67.21 151.55 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 112.328 -1.936 . . . . 25.0 110.087 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -138.77 158.28 44.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.117 -1.808 . . . . 25.0 106.117 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 5.3 t 61.56 -152.5 0.37 Allowed 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.259 0.975 . . . . 25.0 109.36 -177.742 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -125.16 154.25 41.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -177.892 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.64 139.51 32.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.156 0.979 . . . . 25.0 109.148 178.048 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.32 -12.64 60.02 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.012 -0.995 . . . . 25.0 110.607 -177.372 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.04 -41.11 93.18 Favored Glycine 0 C--O 1.223 -0.556 0 N-CA-C 110.001 -1.24 . . . . 25.0 110.001 177.724 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.04 -38.84 89.37 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.35 -31.04 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.654 -0.703 . . . . 25.0 110.653 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -67.19 -40.74 86.57 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.883 -0.511 . . . . 25.0 110.533 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -75.77 -30.69 59.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.465 0.65 . . . . 25.0 109.744 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 45.6 ttp -63.32 -41.48 98.91 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 177.334 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.51 72.49 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.048 0.451 . . . . 25.0 110.769 177.702 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.49 68.22 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.131 -0.356 . . . . 25.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.22 -32.62 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 122.339 -0.226 . . . . 25.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.46 -46.32 86.83 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 174.414 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.87 85.23 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.86 -0.525 . . . . 25.0 110.166 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.87 -46.45 78.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.588 -179.358 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.8 -31.13 70.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.544 -0.723 . . . . 25.0 110.661 -178.558 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 38.7 mt -62.67 -42.04 99.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.128 -0.357 . . . . 25.0 110.086 177.593 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -74.99 -32.22 61.61 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.462 -0.895 . . . . 25.0 111.545 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 7.2 tpp -62.79 -33.41 75.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.817 0.342 . . . . 25.0 110.596 178.401 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.3 m -57.84 -36.55 72.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.471 0.653 . . . . 25.0 109.898 177.357 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -66.61 -41.0 89.08 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.87 -44.85 91.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.428 -0.806 . . . . 25.0 111.535 -178.326 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.0 m -68.38 -33.25 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 112.4 0.519 . . . . 25.0 112.4 -177.468 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.27 -47.84 82.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.249 -0.649 . . . . 25.0 109.249 177.253 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -69.13 -27.91 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 179.649 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -68.24 -28.91 67.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 178.78 17.01 0.03 OUTLIER Glycine 0 C--O 1.237 0.281 0 N-CA-C 119.978 2.751 . . . . 25.0 119.978 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -85.29 96.44 9.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 119.607 1.704 . . . . 25.0 109.872 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -67.98 -33.67 75.08 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 178.027 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 58.48 28.99 17.71 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.653 1.353 . . . . 25.0 114.653 174.312 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.33 -41.88 76.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.293 0.568 . . . . 25.0 112.322 -177.314 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -137.73 51.44 1.91 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.255 -0.884 . . . . 25.0 108.641 -178.655 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -133.75 53.96 1.98 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.099 0.476 . . . . 25.0 112.144 -177.867 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -69.26 153.81 95.57 Favored Pre-proline 0 CA--C 1.545 0.786 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 176.908 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -80.98 3.59 7.68 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 120.403 0.735 . . . . 25.0 113.997 179.402 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 125.74 160.28 10.6 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 108.957 -1.657 . . . . 25.0 108.957 -178.166 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 11.9 p -51.31 136.43 10.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -176.243 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 12.3 t -152.91 -174.12 4.82 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 103.111 -2.922 . . . . 25.0 103.111 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -168.56 -52.44 0.03 OUTLIER Glycine 0 C--O 1.221 -0.666 0 C-N-CA 119.682 -1.246 . . . . 25.0 115.361 178.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -148.86 -48.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 179.437 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.4 p -76.15 152.75 36.62 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 174.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -76.23 66.07 2.28 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 119.215 -0.421 . . . . 25.0 110.512 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -44.95 -52.69 8.47 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.959 0.725 . . . . 25.0 112.959 -176.808 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 458' ' ' TRP . . . . . 0.471 ' CE3' ' HA ' ' A' ' 458' ' ' TRP . 75.0 m95 -66.5 -34.66 78.42 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -177.616 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -70.61 -31.51 67.88 Favored Glycine 0 C--N 1.311 -0.844 0 CA-C-N 114.415 -1.266 . . . . 25.0 111.235 179.233 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -65.62 -35.97 82.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.145 -0.621 . . . . 25.0 109.518 177.682 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -64.3 -35.12 79.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 178.358 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.03 35.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.915 -0.584 . . . . 25.0 110.223 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 -31.99 72.4 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -176.742 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -67.09 -28.24 68.01 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.786 -0.766 . . . . 25.0 110.502 177.671 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -74.02 -38.15 48.58 Favored Glycine 0 C--O 1.225 -0.466 0 N-CA-C 107.739 -2.144 . . . . 25.0 107.739 174.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.42 -32.89 63.06 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 120.808 0.337 . . . . 25.0 111.344 178.672 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -72.59 -39.31 67.46 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.027 -0.42 . . . . 25.0 111.707 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.78 75.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.34 0.591 . . . . 25.0 109.459 -179.04 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.14 -26.58 32.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.364 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.71 -28.87 64.24 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.178 -0.326 . . . . 25.0 111.778 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.86 92.56 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.638 -0.504 . . . . 25.0 109.638 177.228 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -37.64 67.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.837 0.351 . . . . 25.0 110.078 176.495 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.452 ' HA ' HG12 ' A' ' 476' ' ' VAL . 63.6 mm-40 -65.87 -46.41 78.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 -179.062 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.88 -28.08 69.79 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 178.835 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.4 -52.07 15.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.8 -0.637 . . . . 25.0 110.698 177.318 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.7 p -63.18 -35.78 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 118.804 0.729 . . . . 25.0 109.482 -175.932 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -62.25 -36.28 81.56 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.303 178.407 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.38 -43.86 92.85 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.291 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.66 -34.77 53.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.53 -26.95 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.438 0.637 . . . . 25.0 110.018 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.63 -41.99 36.47 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 177.054 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.3 mtm -63.06 -28.2 69.92 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.426 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.2 p -78.41 -34.17 48.19 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.262 -0.975 . . . . 25.0 110.208 -176.129 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -81.49 -31.65 32.8 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.536 -0.466 . . . . 25.0 111.082 176.536 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -71.32 -36.0 71.42 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 177.652 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -84.72 4.06 85.55 Favored Glycine 0 N--CA 1.453 -0.199 0 N-CA-C 111.556 -0.618 . . . . 25.0 111.556 176.877 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 38.45 52.89 1.78 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.902 1.281 . . . . 25.0 112.94 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -66.7 138.76 57.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.58 -1.191 . . . . 25.0 109.56 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -64.78 -27.78 72.49 Favored Glycine 0 C--O 1.226 -0.391 0 CA-C-O 122.476 1.042 . . . . 25.0 112.522 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 37.0 p . . . . . 0 C--O 1.214 -0.783 0 CA-C-O 123.204 1.478 . . . . 25.0 111.642 179.382 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 122.082 0.823 . . . . 25.0 112.683 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 77.3 p 56.76 -153.21 0.37 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.796 1.238 . . . . 25.0 110.056 -178.615 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 56.0 25.53 8.9 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.73 0.812 . . . . 25.0 113.131 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 70.8 m -94.53 159.0 15.29 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 103.903 -2.628 . . . . 25.0 103.903 176.385 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -68.92 -24.95 64.36 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.857 -0.737 . . . . 25.0 111.064 -179.217 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.8 m 40.67 120.94 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 120.918 3.673 . . . . 25.0 120.918 176.21 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.87 -34.81 68.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.636 -1.165 . . . . 25.0 112.459 -178.27 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.69 -36.71 61.87 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 120.232 -0.985 . . . . 25.0 111.926 178.302 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.49 -34.2 69.93 Favored 'General case' 0 C--O 1.21 -0.998 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.58 -37.91 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 122.229 -0.294 . . . . 25.0 110.835 176.642 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.2 m -64.16 -37.5 87.7 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.689 -0.632 . . . . 25.0 110.899 178.467 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -75.82 -31.87 59.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.471 0.653 . . . . 25.0 109.895 179.056 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 37.3 ttm -60.11 -44.79 94.59 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.539 -0.755 . . . . 25.0 109.344 179.009 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.7 78.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.173 0.511 . . . . 25.0 110.924 -178.807 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.4 -46.99 58.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.865 -178.941 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.39 -34.73 59.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 C-N-CA 120.989 -0.284 . . . . 25.0 111.012 -178.083 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -57.55 -46.0 84.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.81 -0.441 . . . . 25.0 109.81 177.15 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.58 96.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.683 0.278 . . . . 25.0 110.681 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.63 86.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.251 -179.359 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.96 -41.76 99.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.419 0.628 . . . . 25.0 109.323 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 40.0 mt -62.4 -43.64 98.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.809 -0.632 . . . . 25.0 112.195 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -73.75 -32.19 63.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.656 -0.818 . . . . 25.0 111.329 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -61.13 -42.09 97.91 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.461 -0.941 . . . . 25.0 108.461 175.174 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 62.6 m -59.42 -33.18 70.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.87 -0.604 . . . . 25.0 110.543 179.098 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -65.7 -44.4 86.25 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.447 -0.783 . . . . 25.0 109.966 179.39 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -64.29 -44.35 91.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.642 -0.873 . . . . 25.0 108.642 -179.413 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.19 -41.5 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 124.281 1.032 . . . . 25.0 113.585 179.449 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.4 -30.03 66.82 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -177.841 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -91.62 -51.76 5.1 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . 39.79 39.74 0.59 Allowed 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.512 1.671 . . . . 25.0 115.512 178.196 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -71.03 -17.27 75.47 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-O 121.464 0.48 . . . . 25.0 112.425 -178.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -155.75 163.37 39.94 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 102.724 -3.065 . . . . 25.0 102.724 176.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -77.16 -22.29 52.74 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -178.254 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 58.41 43.72 19.29 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 124.201 0.938 . . . . 25.0 109.545 -174.844 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -58.59 -42.34 87.85 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.767 0.794 . . . . 25.0 109.747 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -161.77 58.08 0.26 Allowed 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 105.641 -1.985 . . . . 25.0 105.641 178.135 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -124.96 25.11 7.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.568 -0.742 . . . . 25.0 109.162 -176.465 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -113.31 158.61 37.81 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.571 -0.74 . . . . 25.0 110.581 -177.251 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -80.77 12.26 2.68 Favored 'Trans proline' 0 C--N 1.347 0.494 0 N-CA-C 116.598 1.73 . . . . 25.0 116.598 -175.214 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 74.36 41.03 38.79 Favored Glycine 0 C--O 1.236 0.272 0 N-CA-C 110.265 -1.134 . . . . 25.0 110.265 -178.581 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.58 146.09 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 114.802 -0.699 . . . . 25.0 109.867 -177.918 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 19.9 m 54.2 32.99 17.07 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.438 1.273 . . . . 25.0 114.438 178.343 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -71.83 62.82 1.25 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 116.202 1.241 . . . . 25.0 116.202 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -141.01 136.18 31.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 177.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 37.7 t -75.07 113.17 12.09 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.163 0.506 . . . . 25.0 111.156 -178.174 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -58.51 138.63 56.62 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 176.159 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -105.73 -62.9 1.3 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.126 0.488 . . . . 25.0 110.852 178.22 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -63.57 -29.82 71.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.004 0.431 . . . . 25.0 111.034 178.296 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -61.43 -33.18 83.75 Favored Glycine 0 C--O 1.219 -0.836 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.863 178.231 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.88 -32.68 73.34 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.943 -0.739 . . . . 25.0 110.211 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -74.51 -31.14 62.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -71.04 -47.77 56.62 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 175.762 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -35.74 81.8 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 122.197 -0.314 . . . . 25.0 111.843 -178.006 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -64.76 -27.11 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.281 -0.887 . . . . 25.0 110.07 178.265 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -75.15 -44.03 24.34 Favored Glycine 0 C--O 1.222 -0.63 0 N-CA-C 107.851 -2.1 . . . . 25.0 107.851 174.456 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.93 69.15 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 120.966 0.412 . . . . 25.0 111.196 179.613 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -63.02 -44.97 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.21 0.529 . . . . 25.0 111.242 178.677 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.04 73.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.102 0.477 . . . . 25.0 110.975 -177.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.12 -26.58 29.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.918 0 C-N-CA 120.68 -0.408 . . . . 25.0 110.544 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.61 66.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 118.451 0.568 . . . . 25.0 111.078 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.12 -36.5 82.03 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.029 0.443 . . . . 25.0 109.925 177.814 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -33.62 66.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.553 -0.294 . . . . 25.0 110.857 177.097 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.473 ' HA ' HG12 ' A' ' 476' ' ' VAL . 35.1 mm-40 -72.17 -46.11 57.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.16 0.505 . . . . 25.0 111.919 -176.041 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -62.01 -28.03 69.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.609 -0.886 . . . . 25.0 108.609 178.29 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.1 -53.16 9.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.33 177.315 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.7 p -63.21 -35.31 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 121.599 -0.688 . . . . 25.0 109.909 -175.639 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -63.68 -36.76 84.92 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.242 178.287 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.68 89.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 25.0 110.054 -179.685 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -71.2 -35.37 58.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 C-N-CA 120.656 -0.417 . . . . 25.0 109.876 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.97 65.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.138 0.494 . . . . 25.0 109.858 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.76 -44.04 28.89 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 177.332 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -60.67 -29.66 69.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.924 0.392 . . . . 25.0 111.28 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.7 p -77.35 -13.83 59.85 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.241 -0.584 . . . . 25.0 112.337 -175.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -108.7 -34.08 6.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.632 -0.258 . . . . 25.0 110.651 175.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -67.09 -29.37 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.015 -0.428 . . . . 25.0 110.394 178.427 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -64.24 -12.52 50.75 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.239 -0.505 . . . . 25.0 114.014 178.756 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -136.64 26.33 3.09 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.352 0.576 . . . . 25.0 109.951 176.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -82.91 144.64 29.9 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.892 -0.781 . . . . 25.0 108.892 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -83.14 3.21 85.24 Favored Glycine 0 C--O 1.221 -0.672 0 C-N-CA 120.963 -0.637 . . . . 25.0 112.103 177.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.208 -1.088 0 CA-C-O 125.717 2.675 . . . . 25.0 112.723 -179.027 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.768 0 CA-C-O 124.857 2.365 . . . . 25.0 110.856 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 17.5 t -70.48 159.09 34.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 112.725 -1.738 . . . . 25.0 109.877 -179.524 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -32.9 21.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.186 -0.461 . . . . 25.0 109.873 -178.555 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 33.2 p -154.78 162.34 41.15 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.038 -1.838 . . . . 25.0 106.038 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -135.52 -21.05 1.56 Allowed 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 113.286 0.847 . . . . 25.0 113.286 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.7 t 59.43 146.39 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 115.86 1.8 . . . . 25.0 115.86 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.75 -25.12 48.98 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.312 -1.313 . . . . 25.0 111.52 -176.238 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -85.55 -45.81 5.68 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 110.558 -1.017 . . . . 25.0 110.558 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.01 -24.97 68.17 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -177.319 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.53 -33.1 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.963 -0.461 . . . . 25.0 110.713 175.325 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 19.5 m -70.27 -38.85 75.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.645 -0.659 . . . . 25.0 110.388 179.695 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -75.14 -30.89 60.92 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.498 0.666 . . . . 25.0 109.384 -179.146 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 4.1 mtp -62.92 -44.36 96.3 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.432 -0.804 . . . . 25.0 109.056 177.814 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.96 -33.31 75.44 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.344 -178.757 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.47 -45.38 65.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.489 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.63 -32.22 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.99 -0.444 . . . . 25.0 110.743 -178.962 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -58.5 -43.45 89.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 174.727 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.97 -37.39 84.16 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.565 -0.288 . . . . 25.0 110.686 178.297 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.14 95.25 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.695 0.284 . . . . 25.0 110.955 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -60.7 -45.79 92.85 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.036 0.922 . . . . 25.0 109.009 178.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.75 -43.76 98.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.13 -0.941 . . . . 25.0 112.196 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.7 -33.15 64.27 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.482 -0.887 . . . . 25.0 112.16 -179.46 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 65.9 mtm -62.2 -39.66 93.5 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 176.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 59.1 m -55.59 -28.72 56.72 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.203 0.525 . . . . 25.0 111.028 178.659 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -69.17 -43.44 74.25 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.472 -0.767 . . . . 25.0 110.828 -178.206 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -72.35 -40.62 67.2 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.15 -1.056 . . . . 25.0 108.15 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 3.3 t -55.59 -42.15 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.635 -0.711 . . . . 25.0 112.444 -178.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 74.8 mt -74.46 -9.19 58.35 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.627 0.973 . . . . 25.0 113.627 -179.256 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 44.2 m170 -111.67 -6.55 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 25.0 111.184 179.209 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -91.2 145.55 24.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.354 0.597 . . . . 25.0 111.272 -176.637 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -102.07 10.94 57.15 Favored Glycine 0 C--O 1.229 -0.196 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.81 178.111 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -161.34 163.15 30.94 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 104.335 -2.469 . . . . 25.0 104.335 -178.613 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.41 ' HG3' ' H ' ' A' ' 445' ' ' ASP . 13.7 ptm180 -62.47 -32.12 72.95 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 112.609 0.596 . . . . 25.0 112.609 179.379 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 51.62 26.97 3.64 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -178.427 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 445' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 443' ' ' ARG . 30.1 t0 -59.25 -38.56 80.36 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 122.184 0.992 . . . . 25.0 110.212 179.149 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -157.77 30.39 0.27 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 105.902 -1.888 . . . . 25.0 105.902 177.038 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 45.16 45.42 9.3 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.357 -1.292 . . . . 25.0 112.065 -175.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -58.27 144.22 77.76 Favored Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -175.322 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -81.12 166.02 18.85 Favored 'Trans proline' 0 C--N 1.346 0.405 0 CA-C-O 121.59 0.579 . . . . 25.0 112.87 179.223 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -90.73 -139.35 8.02 Favored Glycine 0 C--N 1.323 -0.157 0 N-CA-C 109.316 -1.513 . . . . 25.0 109.316 175.595 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 10.8 p -56.86 136.91 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 177.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 77.2 p -65.64 134.19 52.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.095 -0.378 . . . . 25.0 110.363 -177.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -69.97 -20.3 76.1 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.885 -0.674 . . . . 25.0 114.137 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 46.1 36.69 3.27 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 178.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 73.3 m -126.52 162.73 24.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.409 0.623 . . . . 25.0 111.784 -175.185 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -151.47 162.91 40.12 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 104.979 -2.23 . . . . 25.0 104.979 -179.435 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -105.29 -72.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.308 0.575 . . . . 25.0 111.169 177.588 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -62.96 -30.91 71.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 114.183 1.179 . . . . 25.0 114.183 -176.299 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.87 86.49 Favored Glycine 0 C--N 1.319 -0.416 0 CA-C-N 115.692 -0.685 . . . . 25.0 111.645 177.713 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -68.39 -44.87 74.18 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 179.153 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -63.1 -37.09 85.84 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.536 -0.542 . . . . 25.0 109.536 -178.591 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.9 89.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.103 -0.499 . . . . 25.0 110.184 178.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -38.13 86.16 Favored 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 120.6 -0.44 . . . . 25.0 110.026 179.455 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.86 -35.29 77.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.701 -0.624 . . . . 25.0 110.358 177.799 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.44 -46.0 73.79 Favored Glycine 0 C--O 1.217 -0.962 0 N-CA-C 108.635 -1.786 . . . . 25.0 108.635 176.272 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.84 69.67 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.806 0.303 . . . . 25.0 111.537 179.409 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -67.9 -43.36 79.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.181 0.515 . . . . 25.0 110.88 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.69 -44.68 85.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 25.0 110.498 -178.391 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.75 -26.84 28.87 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.064 0 C-N-CA 120.688 -0.405 . . . . 25.0 110.384 -179.523 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.22 -33.84 69.76 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.501 0.591 . . . . 25.0 110.955 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.78 88.8 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 177.339 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.81 -35.41 67.32 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.666 -0.243 . . . . 25.0 110.523 176.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.452 ' HA ' HG12 ' A' ' 476' ' ' VAL . 59.0 mm-40 -67.46 -46.58 72.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.961 -0.462 . . . . 25.0 112.166 -179.121 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -62.91 -27.0 69.07 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -75.72 -52.92 9.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.536 -0.756 . . . . 25.0 111.087 177.743 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.4 p -63.73 -36.73 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 118.473 0.579 . . . . 25.0 109.876 -175.491 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -64.19 -34.33 77.83 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.212 178.698 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.9 97.75 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.352 -0.539 . . . . 25.0 109.945 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.08 -34.96 56.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 -179.309 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.34 -26.94 61.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.226 0.536 . . . . 25.0 109.714 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.38 -42.72 20.05 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.124 0.488 . . . . 25.0 109.772 177.585 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 49.1 mtm -61.15 -28.9 69.45 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.171 -0.331 . . . . 25.0 111.505 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.9 p -79.74 -15.01 58.31 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.241 -0.583 . . . . 25.0 112.061 -176.078 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -105.5 -33.41 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.2 -0.2 . . . . 25.0 111.171 176.097 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -74.55 -32.58 62.48 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.803 -0.56 . . . . 25.0 109.927 177.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -70.16 -3.46 45.43 Favored Glycine 0 C--O 1.222 -0.627 0 C-N-CA 121.324 -0.465 . . . . 25.0 113.908 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -76.46 -15.94 59.79 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.171 -0.605 . . . . 25.0 110.962 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 47.99 35.63 5.28 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 179.293 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -79.3 63.41 3.92 Favored Glycine 0 C--O 1.228 -0.259 0 C-N-CA 121.219 -0.515 . . . . 25.0 113.814 -176.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.206 -1.216 0 CA-C-O 124.394 2.045 . . . . 25.0 112.048 179.388 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 123.21 1.45 . . . . 25.0 113.191 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 24.8 p -67.02 135.29 53.48 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 178.483 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 36.2 ptt-85 -156.38 165.1 37.31 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -176.109 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 23.7 t -81.26 159.78 24.41 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.491 -1.67 . . . . 25.0 106.491 175.813 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -134.24 169.87 16.54 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 -178.053 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 41.3 p -114.04 157.51 22.43 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 103.99 -2.596 . . . . 25.0 103.99 174.311 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.5 -14.73 61.73 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.722 -0.672 . . . . 25.0 111.489 -174.25 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.2 -42.47 83.52 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 109.595 -1.402 . . . . 25.0 109.595 176.558 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -64.75 -41.59 95.79 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 83.6 t -65.71 -33.83 66.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.038 -178.632 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 67.2 m -65.36 -42.09 93.13 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.646 -0.421 . . . . 25.0 111.167 -179.483 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.73 -33.71 60.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.475 0.655 . . . . 25.0 109.675 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.6 ttp -63.32 -41.85 98.95 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 178.059 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.54 74.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.004 0.43 . . . . 25.0 110.154 179.313 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.98 74.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.611 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.28 -35.56 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.912 -0.315 . . . . 25.0 110.545 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -59.07 -45.46 90.76 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.495 -0.557 . . . . 25.0 109.495 175.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.72 -38.12 88.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.762 0.315 . . . . 25.0 110.421 178.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.89 97.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.443 179.459 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.422 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 2.4 mt-10 -65.14 -43.24 92.51 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.415 0.626 . . . . 25.0 109.751 179.052 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 39.4 mt -57.75 -45.61 85.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.545 -0.752 . . . . 25.0 110.86 -179.254 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -76.15 -38.94 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 177.619 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 433' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 13.9 ptp -64.21 -37.24 86.75 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 121.424 -0.798 . . . . 25.0 112.686 -174.299 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 27.1 m -57.96 -30.17 65.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.579 0.704 . . . . 25.0 111.578 -175.111 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -65.47 -46.2 80.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.21 -0.45 . . . . 25.0 109.871 -178.197 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -72.41 -41.73 65.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.116 0.484 . . . . 25.0 110.178 178.036 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.83 -43.12 73.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 -176.3 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.52 -29.39 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.341 0.497 . . . . 25.0 112.341 -178.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -91.78 -8.54 46.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.281 0.474 . . . . 25.0 112.281 179.335 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -106.06 2.8 27.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.476 -0.329 . . . . 25.0 111.163 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 148.83 -120.78 1.22 Allowed Glycine 0 C--O 1.223 -0.546 0 N-CA-C 110.634 -0.986 . . . . 25.0 110.634 -177.643 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 67.46 160.38 0.16 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 123.455 1.597 . . . . 25.0 113.642 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.91 156.46 19.16 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 104.875 -2.268 . . . . 25.0 104.875 175.549 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -140.54 23.06 2.33 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 -177.659 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.39 -19.75 59.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.215 -1.357 . . . . 25.0 110.642 -178.222 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -150.43 84.8 1.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.845 -1.909 . . . . 25.0 105.845 179.532 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -132.38 37.85 3.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.22 -0.9 . . . . 25.0 111.129 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -85.29 124.95 71.21 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 120.509 -0.476 . . . . 25.0 111.834 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -79.76 111.24 2.73 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 N-CA-C 116.72 1.777 . . . . 25.0 116.72 -177.051 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -80.95 49.79 4.03 Favored Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.493 -0.776 . . . . 25.0 113.946 177.402 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 8.6 p -59.6 -29.34 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -175.903 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 6.8 t 53.9 -141.92 0.83 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 177.057 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 91.19 -87.48 1.35 Allowed Glycine 0 CA--C 1.517 0.18 0 N-CA-C 114.317 0.487 . . . . 25.0 114.317 177.537 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 55.78 -153.19 0.35 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.441 0.696 . . . . 25.0 111.83 -177.774 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.7 m 48.21 32.88 3.31 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.697 1.74 . . . . 25.0 115.697 178.568 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -73.68 119.07 17.39 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -178.215 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -101.54 -76.73 0.56 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.152 -0.931 . . . . 25.0 109.039 174.096 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -66.11 -27.34 67.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.821 0.819 . . . . 25.0 109.652 176.324 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -55.6 -28.95 52.95 Favored Glycine 0 C--O 1.218 -0.881 0 CA-C-N 114.63 -1.168 . . . . 25.0 113.282 178.159 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.28 -36.53 73.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.963 0.881 . . . . 25.0 112.028 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -71.11 -33.27 69.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.11 0.481 . . . . 25.0 110.094 -179.212 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.88 53.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 178.764 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.87 -36.17 81.7 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.501 -0.318 . . . . 25.0 111.153 -177.578 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.22 -27.86 68.97 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.5 -0.88 . . . . 25.0 110.339 178.882 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.74 -43.61 42.07 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 107.938 -2.065 . . . . 25.0 107.938 174.352 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.27 -39.94 67.35 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 120.981 0.419 . . . . 25.0 111.544 179.345 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -66.32 -42.68 87.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.097 0.475 . . . . 25.0 111.391 178.532 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.12 79.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.904 0.383 . . . . 25.0 110.648 -178.149 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.8 m -68.74 -30.99 48.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 120.893 -0.323 . . . . 25.0 110.145 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.93 -32.16 65.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 118.076 0.398 . . . . 25.0 111.258 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.28 90.51 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.843 -0.429 . . . . 25.0 109.843 177.342 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.67 67.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.726 0.298 . . . . 25.0 110.881 176.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -68.49 -43.93 75.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.131 0.491 . . . . 25.0 111.199 -179.288 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -67.24 -26.22 66.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.445 -0.784 . . . . 25.0 109.602 177.678 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -49.98 38.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.266 177.343 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.51 -36.59 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -177.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.55 -36.09 82.65 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.223 177.619 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.4 -45.09 89.04 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.958 -0.464 . . . . 25.0 110.43 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -70.47 -34.4 57.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.173 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.56 -28.1 66.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 178.827 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.78 -43.56 22.27 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 122.022 -0.424 . . . . 25.0 110.155 176.844 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.7 mtm -59.35 -28.61 67.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.087 0.47 . . . . 25.0 111.54 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.0 p -79.82 -14.14 58.9 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.045 -0.662 . . . . 25.0 111.693 -175.197 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -106.02 -36.17 7.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.768 -0.196 . . . . 25.0 110.981 174.317 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -66.6 -35.2 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.855 -0.528 . . . . 25.0 110.622 179.061 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -68.82 -8.42 57.34 Favored Glycine 0 C--O 1.226 -0.393 0 C-N-CA 120.87 -0.681 . . . . 25.0 113.09 178.748 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -122.9 9.32 9.4 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 122.467 -0.431 . . . . 25.0 110.911 178.477 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -67.84 -28.03 67.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.089 0.471 . . . . 25.0 110.747 -178.576 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -91.44 19.63 46.14 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 116.128 -0.487 . . . . 25.0 112.165 178.311 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 50.1 p . . . . . 0 C--O 1.206 -1.193 0 CA-C-O 124.832 2.253 . . . . 25.0 112.087 -177.604 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.004 0 CA-C-O 123.046 1.359 . . . . 25.0 113.152 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 42.0 t -163.3 -53.1 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.857 -0.79 . . . . 25.0 110.138 179.449 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -80.95 -35.09 32.68 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 177.004 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 18.6 m -88.46 147.28 24.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.554 -1.647 . . . . 25.0 106.554 173.791 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -146.57 151.8 37.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.793 -0.817 . . . . 25.0 108.793 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.6 m -89.62 32.14 0.89 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.671 0.989 . . . . 25.0 113.671 -178.016 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 62.7 -53.21 0.17 Allowed 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 117.748 2.499 . . . . 25.0 117.748 176.81 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.55 -25.95 72.79 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 109.939 -1.265 . . . . 25.0 109.939 178.706 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -64.01 -29.11 70.29 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.848 -0.676 . . . . 25.0 111.053 178.151 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.55 -28.71 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.161 0.505 . . . . 25.0 109.713 -178.343 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 45.3 m -67.38 -37.48 83.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.829 -0.545 . . . . 25.0 110.004 177.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -75.68 -32.69 60.23 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 121.829 0.823 . . . . 25.0 109.172 178.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 50.5 ttm -60.45 -35.22 75.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.792 -0.64 . . . . 25.0 110.591 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.94 73.22 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.919 0.39 . . . . 25.0 110.62 178.24 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.22 -36.83 66.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 178.272 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.71 -42.36 94.78 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 177.75 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.35 -44.44 88.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.899 0.381 . . . . 25.0 110.403 178.274 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.06 89.39 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.864 0.364 . . . . 25.0 110.51 178.436 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.61 90.14 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.268 -0.424 . . . . 25.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.34 -40.6 94.86 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.805 0.812 . . . . 25.0 110.65 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 73.1 mt -59.71 -45.64 91.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.284 -0.871 . . . . 25.0 110.822 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.76 -30.86 63.03 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 119.815 -0.754 . . . . 25.0 111.608 177.477 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 9.4 tpp -63.21 -41.98 99.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.805 -0.559 . . . . 25.0 109.656 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 44.6 m -60.37 -44.19 95.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.955 0.407 . . . . 25.0 111.422 -179.438 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -71.38 -22.64 61.86 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.25 -0.98 . . . . 25.0 110.102 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -75.09 -47.97 26.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 175.709 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 25.1 m -64.0 -30.18 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 113.75 1.019 . . . . 25.0 113.75 -176.497 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.32 -18.54 64.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.909 178.099 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -110.27 11.76 23.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.859 0.361 . . . . 25.0 110.703 177.332 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -132.22 38.88 3.45 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 -178.829 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -63.0 154.21 44.19 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 111.439 -0.664 . . . . 25.0 111.439 179.339 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -149.62 -168.99 3.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 -177.013 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 59.21 -177.49 0.09 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 126.125 1.77 . . . . 25.0 115.544 -176.809 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -152.51 26.2 0.59 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.876 -1.527 . . . . 25.0 106.876 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.99 -39.41 89.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.222 -0.899 . . . . 25.0 112.386 -172.135 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -103.5 19.09 20.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.723 -0.672 . . . . 25.0 111.911 -177.285 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -88.09 41.41 1.0 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -174.638 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.98 139.76 80.09 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 177.902 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.63 -1.39 11.44 Favored 'Trans proline' 0 CA--C 1.534 0.518 0 CA-C-O 121.549 0.562 . . . . 25.0 111.613 176.56 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 149.94 127.61 1.52 Allowed Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 106.083 -2.807 . . . . 25.0 106.083 -178.59 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.94 138.15 22.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 121.821 0.819 . . . . 25.0 110.925 -176.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 80.7 p -63.1 137.06 58.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.281 -179.403 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 90.14 -1.0 79.48 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.149 -0.548 . . . . 25.0 114.199 178.508 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -59.75 145.16 46.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 117.294 0.547 . . . . 25.0 110.659 178.503 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.9 m 50.92 33.01 8.05 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.17 1.545 . . . . 25.0 115.17 178.153 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -61.16 125.08 22.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.168 -0.332 . . . . 25.0 110.798 178.765 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 58.4 t-80 -93.66 -68.72 0.79 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 174.529 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -63.46 -26.37 68.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.252 0.548 . . . . 25.0 111.395 178.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.05 -29.83 68.98 Favored Glycine 0 C--O 1.219 -0.801 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.101 178.203 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -62.97 -36.05 82.2 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.201 -0.588 . . . . 25.0 110.913 179.221 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -69.63 -32.93 71.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 -179.51 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.35 -47.79 46.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.769 -0.651 . . . . 25.0 109.811 178.334 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.17 -33.91 75.33 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.632 -0.427 . . . . 25.0 111.835 -176.886 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -67.3 -28.6 68.14 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.076 -0.649 . . . . 25.0 110.645 177.659 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -74.02 -38.01 48.81 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 108.474 -1.85 . . . . 25.0 108.474 176.452 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.03 -37.55 64.23 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 120.942 0.401 . . . . 25.0 111.284 179.423 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -65.44 -43.2 91.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.083 0.468 . . . . 25.0 112.193 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.72 -44.19 70.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.287 0.565 . . . . 25.0 110.618 -177.641 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.4 m -68.85 -26.52 32.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 116.284 -0.417 . . . . 25.0 110.805 -178.763 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.09 -31.74 63.5 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.969 0.359 . . . . 25.0 111.969 -179.105 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.5 91.3 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 177.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.64 -36.87 68.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 176.805 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.432 ' HA ' HG12 ' A' ' 476' ' ' VAL . 67.5 mm-40 -66.02 -46.56 77.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.216 0.45 . . . . 25.0 112.216 -178.776 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.31 -27.78 69.56 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.417 -0.513 . . . . 25.0 109.647 178.727 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.99 -51.71 17.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.932 -0.577 . . . . 25.0 110.751 177.086 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.4 p -63.37 -35.96 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 118.749 0.704 . . . . 25.0 109.495 -176.098 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -62.76 -35.97 81.56 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.349 178.27 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.39 91.83 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.318 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.75 -35.54 61.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.541 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.11 -26.93 65.12 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.412 0.625 . . . . 25.0 109.951 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -78.67 -42.76 27.73 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.3 mtm -61.21 -27.16 68.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.984 0.421 . . . . 25.0 111.485 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.7 p -78.8 -17.93 54.93 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.962 -0.695 . . . . 25.0 111.99 -176.49 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -102.81 -35.02 8.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.778 -0.192 . . . . 25.0 110.808 176.056 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -68.98 -24.65 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 176.039 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -72.93 3.63 27.35 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.516 -0.373 . . . . 25.0 113.057 176.878 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -108.54 4.97 24.69 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 176.377 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 63.34 -70.74 0.06 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.758 1.623 . . . . 25.0 114.836 -179.38 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 78.05 -52.68 3.69 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-O 121.928 0.738 . . . . 25.0 112.579 -178.023 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.211 -0.964 0 CA-C-O 123.634 1.683 . . . . 25.0 113.499 179.313 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 122.607 1.115 . . . . 25.0 113.12 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 16.7 m 52.66 26.97 4.76 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.768 1.395 . . . . 25.0 114.768 178.374 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -89.51 74.28 7.71 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.362 -1.718 . . . . 25.0 106.362 178.084 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 19.6 m 66.46 -177.07 0.19 Allowed 'General case' 0 N--CA 1.469 0.475 0 O-C-N 124.89 1.369 . . . . 25.0 107.92 -173.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -159.79 156.39 27.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.914 -0.402 . . . . 25.0 109.914 -177.024 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 35.7 m -91.68 33.67 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.92 0.488 . . . . 25.0 110.304 178.191 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 64.66 -41.64 0.28 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.902 1.816 . . . . 25.0 115.902 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -63.41 -28.2 71.99 Favored Glycine 0 C--O 1.221 -0.71 0 N-CA-C 111.489 -0.644 . . . . 25.0 111.489 178.545 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -59.99 -40.65 89.87 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 121.423 0.63 . . . . 25.0 109.9 178.731 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 55.2 t -72.43 -36.27 54.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.072 -0.513 . . . . 25.0 109.617 -178.55 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.7 m -65.49 -40.34 92.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.541 -0.3 . . . . 25.0 111.581 179.251 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.23 -35.52 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.461 0.648 . . . . 25.0 109.412 179.675 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 61.5 ttp -63.3 -37.89 89.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.04 179.482 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.4 71.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.037 0.446 . . . . 25.0 110.307 178.266 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.82 71.34 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 178.046 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 64.0 t -66.34 -42.75 91.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 177.663 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.44 -44.83 92.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.305 0.574 . . . . 25.0 109.584 178.021 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.15 89.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.95 -0.469 . . . . 25.0 110.721 179.234 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.2 88.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.306 -0.407 . . . . 25.0 111.953 -178.274 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -68.1 -32.11 72.19 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.372 -0.931 . . . . 25.0 110.254 -178.758 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.18 -44.43 84.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.768 -0.373 . . . . 25.0 110.526 178.429 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -73.69 -32.25 63.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.691 -0.804 . . . . 25.0 111.459 178.905 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 61.5 mtm -64.4 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 177.665 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 73.0 m -61.69 -37.21 83.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 176.719 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -65.87 -46.97 76.47 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.415 -0.803 . . . . 25.0 109.101 177.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -45.94 89.92 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -177.841 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.88 -37.72 78.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 C-N-CA 120.492 -0.483 . . . . 25.0 112.124 -179.708 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.2 mt -68.12 -36.96 80.57 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.82 -0.55 . . . . 25.0 111.474 178.624 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -70.89 -36.84 72.91 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.239 -0.184 . . . . 25.0 111.008 179.649 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.76 -25.1 53.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.953 0.406 . . . . 25.0 111.324 179.512 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 80.11 -160.93 44.91 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 108.582 -1.807 . . . . 25.0 108.582 -176.551 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -148.2 176.07 10.54 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -132.52 159.43 39.46 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.487 -1.688 . . . . 25.0 109.174 -173.786 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -136.62 26.56 3.09 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 179.494 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -17.17 61.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.886 -0.597 . . . . 25.0 110.622 -176.541 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -93.44 18.93 8.98 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.296 0.569 . . . . 25.0 110.92 -179.017 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -90.95 17.14 8.25 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.295 0.85 . . . . 25.0 113.295 -176.365 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -65.74 141.29 97.69 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.769 -0.651 . . . . 25.0 110.599 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.63 135.53 24.14 Favored 'Trans proline' 0 C--N 1.345 0.382 0 N-CA-C 114.516 0.929 . . . . 25.0 114.516 -176.878 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -125.05 39.06 2.16 Favored Glycine 0 C--O 1.225 -0.412 0 CA-C-N 114.906 -1.043 . . . . 25.0 113.898 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.4 -29.74 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 120.785 0.326 . . . . 25.0 111.336 -178.258 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 2.8 t 55.68 -148.5 0.48 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 176.951 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -171.12 176.31 44.5 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 108.456 -1.858 . . . . 25.0 108.456 -179.472 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.37 89.63 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 117.692 0.746 . . . . 25.0 112.355 -178.593 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.7 m -83.77 64.56 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.833 0.349 . . . . 25.0 111.191 -179.283 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -144.74 146.92 32.4 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.628 -0.26 . . . . 25.0 111.265 -177.523 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -105.68 -60.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.604 0.716 . . . . 25.0 109.365 172.267 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -62.96 -30.97 71.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.395 0.617 . . . . 25.0 111.741 -179.092 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -62.92 -31.39 80.38 Favored Glycine 0 C--O 1.221 -0.71 0 CA-C-N 115.738 -0.665 . . . . 25.0 111.866 178.755 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -66.43 -37.53 85.39 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 179.376 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -68.42 -35.9 78.3 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.649 -0.5 . . . . 25.0 109.649 179.11 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.01 93.38 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 177.693 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -37.52 85.52 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 120.651 -0.42 . . . . 25.0 110.277 179.28 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.02 -33.93 72.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 119.008 0.822 . . . . 25.0 110.498 175.439 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.28 -48.66 62.51 Favored Glycine 0 C--O 1.216 -1.029 0 N-CA-C 108.117 -1.993 . . . . 25.0 108.117 176.047 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.09 64.43 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.214 0.45 . . . . 25.0 112.214 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -70.87 -41.23 71.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.052 0.453 . . . . 25.0 110.954 178.838 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.15 78.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.08 0.467 . . . . 25.0 110.56 -178.601 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.8 m -68.94 -26.45 32.5 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 110.204 -0.295 . . . . 25.0 110.204 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.98 -33.38 67.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 118.297 0.498 . . . . 25.0 110.733 179.109 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.76 87.68 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 177.352 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.83 -33.5 66.21 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.651 -0.249 . . . . 25.0 110.639 176.795 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.432 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.5 mm-40 -68.32 -46.03 71.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.016 0.436 . . . . 25.0 111.404 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.22 -26.72 68.63 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 178.021 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.41 -51.2 18.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.049 -0.523 . . . . 25.0 110.633 177.378 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.6 p -63.66 -35.47 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 118.758 0.708 . . . . 25.0 109.155 -176.863 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -62.6 -36.24 82.11 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.847 -0.615 . . . . 25.0 110.382 177.832 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.75 93.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.127 -0.358 . . . . 25.0 110.213 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.67 -34.75 58.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.05 -27.0 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.38 0.61 . . . . 25.0 109.924 179.285 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.04 -42.21 27.04 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.635 -0.506 . . . . 25.0 109.635 177.118 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.4 mtm -62.32 -29.76 70.67 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.877 0.37 . . . . 25.0 111.199 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.8 p -76.45 -34.54 58.72 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.441 -0.904 . . . . 25.0 110.184 -175.425 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -80.75 -32.42 35.6 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.356 -0.538 . . . . 25.0 110.471 175.703 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -66.44 -29.88 70.12 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.758 -0.589 . . . . 25.0 109.671 177.527 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -68.79 -9.06 58.55 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 121.25 -0.5 . . . . 25.0 112.761 177.316 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -116.01 -13.44 11.25 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.477 -0.425 . . . . 25.0 111.196 177.376 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -152.22 85.84 1.28 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 -178.96 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -63.79 -21.32 65.16 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-O 122.252 0.918 . . . . 25.0 113.073 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 C--O 1.211 -0.941 0 CA-C-O 123.916 1.817 . . . . 25.0 109.93 178.901 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.663 0 CA-C-O 123.854 1.808 . . . . 25.0 110.438 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 8.3 t 55.22 33.04 19.76 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 111.543 -2.328 . . . . 25.0 110.523 -179.427 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -143.07 -16.88 0.67 Allowed 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 -177.916 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 15.0 m -89.84 -23.88 21.57 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.009 0.433 . . . . 25.0 110.343 -179.825 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -165.83 156.83 13.54 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 106.352 -1.722 . . . . 25.0 106.352 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.9 m -95.51 35.78 1.31 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.13 0.572 . . . . 25.0 112.406 178.795 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 63.18 -57.34 0.17 Allowed 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 117.632 2.456 . . . . 25.0 117.632 176.865 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.27 -26.45 72.59 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 109.994 -1.242 . . . . 25.0 109.994 179.237 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.17 -32.51 73.13 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-N 114.738 -0.731 . . . . 25.0 110.872 178.027 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 48.5 t -66.0 -34.77 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.216 0.532 . . . . 25.0 109.955 -179.18 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.1 m -70.36 -37.21 74.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.002 -0.436 . . . . 25.0 110.763 178.676 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.23 -33.41 65.32 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 121.598 0.713 . . . . 25.0 109.249 179.43 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.24 -33.2 71.94 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.495 179.729 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.08 -30.44 70.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.271 0.557 . . . . 25.0 110.237 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.62 60.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 177.797 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.39 -44.51 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 177.379 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -55.88 -46.53 78.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.944 0.402 . . . . 25.0 110.35 178.721 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.25 -42.03 99.13 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.986 -0.446 . . . . 25.0 110.954 -179.389 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.7 72.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.937 -178.353 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.25 -31.29 69.74 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.942 -0.703 . . . . 25.0 109.473 -178.337 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.44 -43.45 94.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.429 -0.508 . . . . 25.0 110.702 177.929 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.95 -32.18 67.03 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.122 -1.031 . . . . 25.0 111.358 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.5 mtm -67.13 -37.65 84.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 174.793 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 92.2 m -61.34 -40.89 95.92 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 177.341 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -62.18 -43.15 99.47 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.491 0.662 . . . . 25.0 109.346 178.856 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.65 -46.58 87.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.071 -0.968 . . . . 25.0 113.26 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.9 m -72.04 -32.59 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -177.417 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.8 -17.16 63.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 178.077 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -92.64 -3.32 55.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.74 0.305 . . . . 25.0 110.697 177.326 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -102.12 168.85 9.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -163.03 108.27 0.34 Allowed Glycine 0 C--O 1.228 -0.273 0 C-N-CA 120.354 -0.927 . . . . 25.0 114.055 178.848 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -161.33 -172.12 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.203 -2.147 . . . . 25.0 105.203 177.121 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -133.39 163.7 28.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.389 -1.338 . . . . 25.0 107.389 -178.904 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -136.25 20.11 3.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 177.477 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -67.13 -35.54 79.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.049 -1.432 . . . . 25.0 110.041 -173.927 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -103.58 22.05 15.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.8 -1.091 . . . . 25.0 110.53 -177.458 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -114.61 45.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -172.398 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.16 140.56 97.94 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 176.403 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.31 -24.49 16.59 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 117.811 -0.993 . . . . 25.0 113.728 -178.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 72.33 -60.13 1.51 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 115.722 1.049 . . . . 25.0 115.722 179.25 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.9 127.71 37.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.388 0.613 . . . . 25.0 109.888 -177.768 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 77.8 p -148.21 161.4 41.55 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 104.837 -2.283 . . . . 25.0 104.837 177.24 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -83.56 -61.44 1.88 Allowed Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.202 -0.999 . . . . 25.0 113.663 -178.33 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 52.56 -154.51 0.2 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.057 0.543 . . . . 25.0 110.23 -177.449 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.9 t 37.6 42.09 0.34 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 116.57 2.063 . . . . 25.0 116.57 176.705 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -64.45 154.07 36.89 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 -179.567 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -100.01 -76.86 0.54 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.581 -0.525 . . . . 25.0 109.581 175.404 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -64.52 -26.31 68.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.348 0.594 . . . . 25.0 111.323 178.503 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.68 -29.18 66.6 Favored Glycine 0 C--O 1.222 -0.631 0 CA-C-N 115.544 -0.753 . . . . 25.0 112.438 178.721 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -66.01 -39.89 90.63 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 117.768 0.784 . . . . 25.0 110.534 179.472 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.32 -34.94 77.03 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.98 93.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.086 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -35.22 79.92 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 122.088 -0.382 . . . . 25.0 110.419 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -59.03 -36.4 74.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.721 0.692 . . . . 25.0 110.332 176.58 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.21 -45.65 60.77 Favored Glycine 0 C--O 1.22 -0.728 0 N-CA-C 109.075 -1.61 . . . . 25.0 109.075 176.408 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.38 -39.33 67.09 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 122.555 0.342 . . . . 25.0 111.78 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -65.76 -44.4 85.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.085 0.469 . . . . 25.0 111.21 178.913 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.94 82.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.007 0.432 . . . . 25.0 110.518 -178.167 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.5 m -70.01 -28.86 37.93 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.849 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.974 -179.022 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.3 68.59 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.306 0.503 . . . . 25.0 111.307 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.8 82.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.159 -0.311 . . . . 25.0 110.159 177.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -74.46 -36.47 63.33 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.808 -0.178 . . . . 25.0 110.952 176.652 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -66.98 -46.06 75.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.188 0.518 . . . . 25.0 111.875 -178.741 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -63.41 -28.97 70.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 178.627 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.75 -51.42 22.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.046 177.765 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.29 -36.59 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 118.631 0.651 . . . . 25.0 109.387 -176.364 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.83 -35.98 82.39 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.407 178.119 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.98 90.94 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.611 -0.435 . . . . 25.0 110.501 -179.5 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.05 -35.41 53.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.83 65.5 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.403 0.62 . . . . 25.0 109.965 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.76 -41.64 44.01 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.587 0.708 . . . . 25.0 109.338 177.843 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -63.46 -28.2 69.8 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 122.027 -0.421 . . . . 25.0 111.112 178.937 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.3 p -84.85 -8.5 58.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.142 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -108.82 -28.56 9.11 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.635 -0.257 . . . . 25.0 111.016 174.264 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -82.63 -25.47 33.12 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 118.336 0.516 . . . . 25.0 111.728 176.508 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 71.08 21.8 78.41 Favored Glycine 0 C--O 1.22 -0.744 0 C-N-CA 120.732 -0.747 . . . . 25.0 112.596 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -105.35 28.76 7.05 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 122.389 -0.477 . . . . 25.0 112.198 -176.1 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -78.57 105.31 9.76 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.591 -1.262 . . . . 25.0 107.591 177.419 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -60.91 -36.38 92.01 Favored Glycine 0 C--O 1.223 -0.589 0 CA-C-O 121.787 0.66 . . . . 25.0 113.656 -178.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.207 -1.179 0 CA-C-O 124.127 1.918 . . . . 25.0 112.992 178.762 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.913 0 CA-C-O 125.414 2.674 . . . . 25.0 110.952 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 20.0 m -63.03 139.22 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 113.163 -1.519 . . . . 25.0 109.842 178.856 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 58.77 26.0 14.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.467 1.284 . . . . 25.0 114.467 179.347 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 65.9 p -74.63 140.99 44.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 174.851 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -158.74 163.53 36.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 179.091 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.64 116.26 27.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.276 1.036 . . . . 25.0 111.227 179.395 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.96 -33.22 73.89 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.323 -1.308 . . . . 25.0 112.044 -178.084 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.99 -35.06 88.86 Favored Glycine 0 C--O 1.22 -0.719 0 C-N-CA 120.614 -0.803 . . . . 25.0 112.843 -179.483 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -69.84 -38.6 76.57 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.49 -26.71 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.993 0.425 . . . . 25.0 109.968 178.71 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.3 m -66.26 -38.15 87.15 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.588 -0.695 . . . . 25.0 110.06 177.265 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -75.75 -32.99 60.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.9 0.857 . . . . 25.0 109.105 177.359 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 39.0 ttm -62.32 -33.61 75.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.676 -0.693 . . . . 25.0 109.955 178.87 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.29 70.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.879 178.744 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.24 72.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 177.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.83 -43.72 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 177.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.12 -41.9 93.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.816 -0.439 . . . . 25.0 109.816 178.011 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.33 93.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.376 -0.202 . . . . 25.0 110.736 179.444 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.73 -45.03 84.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.86 0.362 . . . . 25.0 110.299 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.59 -45.49 93.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.75 0.786 . . . . 25.0 109.401 179.502 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 50.7 mt -62.64 -46.35 88.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.41 -0.813 . . . . 25.0 111.783 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.81 -32.18 71.71 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.329 -0.948 . . . . 25.0 111.189 -177.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 63.6 mtm -66.36 -43.9 84.7 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.59 -0.893 . . . . 25.0 108.59 176.534 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 55.7 m -61.34 -40.31 93.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.179 0.514 . . . . 25.0 109.999 178.232 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -67.58 -39.13 84.88 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.955 -1.091 . . . . 25.0 110.081 178.333 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -61.82 -41.82 98.26 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.266 0.469 . . . . 25.0 112.266 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.59 -32.98 30.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 179.646 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.37 -39.04 74.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.625 -0.262 . . . . 25.0 111.535 176.812 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -75.76 -58.72 3.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 178.281 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . 46.57 -155.63 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.909 1.448 . . . . 25.0 114.909 178.748 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -91.55 -174.02 43.06 Favored Glycine 0 C--O 1.226 -0.362 0 N-CA-C 110.531 -1.028 . . . . 25.0 110.531 178.955 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -76.42 14.1 0.83 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? 47.26 -128.25 1.64 Allowed 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.99 0.916 . . . . 25.0 111.229 -178.466 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -118.53 26.01 9.88 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.221 -1.4 . . . . 25.0 107.221 179.4 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 14.4 t0 62.63 -63.96 0.1 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.603 2.361 . . . . 25.0 114.079 -177.741 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -136.66 10.22 3.14 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 122.629 1.204 . . . . 25.0 111.327 178.83 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 54.99 19.28 2.62 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 115.887 1.81 . . . . 25.0 115.887 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -75.92 148.55 81.93 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 116.054 -0.521 . . . . 25.0 109.834 178.629 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -80.87 -6.16 13.2 Favored 'Trans proline' 0 C--N 1.35 0.629 0 N-CA-C 113.515 0.544 . . . . 25.0 113.515 -179.381 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 174.79 169.48 36.78 Favored Glycine 0 N--CA 1.448 -0.564 1 N-CA-C 101.148 -4.781 . . . . 25.0 101.148 -178.789 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.04 106.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 119.256 1.528 . . . . 25.0 111.137 -176.801 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 17.2 m -81.46 -16.58 51.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.33 -0.85 . . . . 25.0 111.952 -177.611 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 131.26 -124.12 4.0 Favored Glycine 0 C--O 1.221 -0.671 0 N-CA-C 110.129 -1.188 . . . . 25.0 110.129 -178.284 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 56.95 18.14 3.75 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.3 p 62.96 178.87 0.15 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.827 1.251 . . . . 25.0 111.722 -177.022 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -78.51 87.33 4.49 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.552 -0.718 . . . . 25.0 111.179 -178.488 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -91.69 -76.75 0.44 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 107.828 -1.175 . . . . 25.0 107.828 172.774 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -60.69 -30.91 70.23 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 122.362 1.077 . . . . 25.0 109.41 175.179 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -52.49 -28.88 30.03 Favored Glycine 0 C--O 1.221 -0.658 0 CA-C-N 113.972 -1.467 . . . . 25.0 114.078 178.053 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.12 -39.9 91.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.317 1.058 . . . . 25.0 111.589 -179.805 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -68.03 -38.64 82.76 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 -178.156 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.92 86.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.432 -0.804 . . . . 25.0 110.892 179.128 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -35.2 80.18 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 122.152 -0.342 . . . . 25.0 110.689 -178.73 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -59.47 -36.14 75.41 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.633 -0.827 . . . . 25.0 110.816 175.869 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.38 -47.15 64.91 Favored Glycine 0 C--O 1.219 -0.816 0 N-CA-C 108.072 -2.011 . . . . 25.0 108.072 175.855 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.09 -37.6 64.44 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 112.363 0.505 . . . . 25.0 112.363 179.442 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -72.06 -40.55 68.24 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.834 -0.541 . . . . 25.0 111.249 178.653 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.06 85.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.184 0.516 . . . . 25.0 109.791 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.7 m -69.65 -28.37 37.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.98 -29.24 65.07 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.97 0.35 . . . . 25.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.11 86.18 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 177.213 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -74.77 -34.35 62.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.692 0.282 . . . . 25.0 110.694 175.838 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.429 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.7 mm-40 -69.94 -45.13 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.118 0.485 . . . . 25.0 111.732 -177.534 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -63.19 -28.29 69.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 178.292 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.09 -51.72 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.589 -0.732 . . . . 25.0 110.783 178.509 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.5 p -63.17 -36.36 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 118.632 0.651 . . . . 25.0 109.447 -176.739 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -63.06 -36.37 83.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.856 -0.611 . . . . 25.0 110.427 177.945 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.36 93.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.597 -0.441 . . . . 25.0 110.354 -179.338 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.12 -34.68 55.76 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 -179.12 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.93 65.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.328 0.585 . . . . 25.0 109.744 179.492 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.98 -42.08 24.62 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 121.276 0.56 . . . . 25.0 109.861 177.041 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.3 mtm -62.25 -27.18 68.83 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 116.347 -0.388 . . . . 25.0 111.842 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.7 p -79.25 -36.06 40.53 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 119.152 -1.019 . . . . 25.0 110.014 -176.401 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -79.93 -29.05 39.66 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.416 -0.514 . . . . 25.0 111.009 177.76 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -79.23 -31.7 43.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 118.42 0.555 . . . . 25.0 110.885 177.869 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -71.77 -19.52 78.12 Favored Glycine 0 C--O 1.228 -0.273 0 N-CA-C 111.959 -0.457 . . . . 25.0 111.959 178.647 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 49.6 33.82 6.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.62 1.168 . . . . 25.0 113.457 177.012 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -141.1 153.45 45.44 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -178.506 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 79.19 -60.45 4.24 Favored Glycine 0 C--O 1.226 -0.386 0 N-CA-C 111.621 -0.592 . . . . 25.0 111.621 -178.762 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.209 -1.055 0 CA-C-O 123.903 1.811 . . . . 25.0 111.203 -179.393 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.849 0 CA-C-O 123.921 1.845 . . . . 25.0 111.209 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 41.7 p -70.77 14.66 0.13 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 112.752 -1.724 . . . . 25.0 114.447 -176.457 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -149.36 32.74 0.72 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 177.732 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 20.4 m -146.19 -179.16 6.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.231 -0.895 . . . . 25.0 110.068 -177.747 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.4 52.23 0.76 Allowed 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.773 1.027 . . . . 25.0 113.773 -178.674 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.5 t -85.85 25.59 1.09 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.724 -0.61 . . . . 25.0 111.838 -178.865 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 63.37 -46.79 0.23 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 116.908 2.188 . . . . 25.0 116.908 178.118 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.53 95.4 Favored Glycine 0 C--O 1.222 -0.617 0 N-CA-C 109.584 -1.406 . . . . 25.0 109.584 177.721 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.32 -37.67 84.1 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 121.867 0.842 . . . . 25.0 110.206 179.035 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 17.3 t -69.6 -34.23 60.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.593 -0.731 . . . . 25.0 109.913 -178.128 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.2 m -69.59 -37.1 76.78 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 178.707 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.35 -32.04 68.07 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 178.448 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 3.0 tpp -59.74 -33.62 71.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.948 0.404 . . . . 25.0 110.534 178.482 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.54 -31.69 71.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.915 0.388 . . . . 25.0 110.337 178.321 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.22 -36.74 66.54 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 178.082 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.84 -44.39 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 177.404 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.59 -46.12 87.64 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.958 0.408 . . . . 25.0 109.942 178.0 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.13 88.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.231 -0.293 . . . . 25.0 110.723 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.67 -44.4 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.691 179.593 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.36 -43.45 98.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.84 0.829 . . . . 25.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.09 -42.59 98.79 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.361 -0.836 . . . . 25.0 111.086 178.588 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -72.83 -32.23 65.35 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.815 -0.754 . . . . 25.0 111.079 179.051 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 3.1 tpp -62.89 -46.23 88.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 177.028 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 32.2 m -59.16 -44.83 92.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 -177.564 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -67.3 -31.1 71.16 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.23 -0.919 . . . . 25.0 109.787 179.376 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -72.34 -44.42 62.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 178.981 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.78 -32.61 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 113.407 0.892 . . . . 25.0 113.407 -177.065 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.15 -23.47 63.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 179.159 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -97.45 -6.56 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -110.63 165.17 12.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -173.169 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 91.48 -176.44 39.98 Favored Glycine 0 C--O 1.227 -0.288 0 CA-C-N 114.959 -1.018 . . . . 25.0 112.66 177.845 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -140.47 84.5 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.248 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.56 151.02 38.0 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.647 -1.242 . . . . 25.0 107.647 179.512 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -135.29 26.96 3.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.92 0.391 . . . . 25.0 111.369 -177.634 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.79 -30.98 64.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.324 -178.05 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -120.36 18.96 12.16 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.735 0.779 . . . . 25.0 110.357 -178.797 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -119.77 46.37 1.95 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.721 -0.672 . . . . 25.0 111.555 -173.672 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.18 136.62 95.52 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 176.237 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -76.2 -5.89 16.69 Favored 'Trans proline' 0 C--N 1.345 0.359 0 CA-C-O 121.009 0.337 . . . . 25.0 112.884 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -159.86 77.52 0.18 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 109.683 -1.367 . . . . 25.0 109.683 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 81.8 t -55.91 127.58 15.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 -179.343 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 69.9 m -124.7 171.92 9.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.793 -0.64 . . . . 25.0 111.594 -174.953 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 88.07 -52.9 4.17 Favored Glycine 0 C--O 1.229 -0.212 0 CA-C-N 116.195 -0.457 . . . . 25.0 112.332 179.281 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -144.67 135.6 24.93 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.792 -0.448 . . . . 25.0 109.792 178.655 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.9 m -85.94 -0.84 56.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 179.29 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 64.28 160.36 0.1 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.051 1.34 . . . . 25.0 113.572 -178.361 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 62.9 t-80 -105.72 -76.74 0.6 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.186 0.517 . . . . 25.0 109.875 174.779 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -68.69 -25.69 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.479 0.657 . . . . 25.0 111.074 177.677 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.51 -31.58 63.48 Favored Glycine 0 C--O 1.218 -0.884 0 CA-C-N 115.196 -0.911 . . . . 25.0 112.432 178.759 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.14 -34.48 76.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.156 -0.614 . . . . 25.0 111.444 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -76.21 -35.62 58.98 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.642 -0.662 . . . . 25.0 109.461 178.187 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.54 95.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.515 178.704 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -34.31 77.79 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 122.138 -0.351 . . . . 25.0 110.441 179.422 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.6 -31.38 71.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.443 -0.786 . . . . 25.0 110.422 176.68 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.55 46.93 Favored Glycine 0 C--O 1.217 -0.952 0 N-CA-C 108.303 -1.919 . . . . 25.0 108.303 175.089 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.55 -39.51 67.79 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 120.966 0.412 . . . . 25.0 111.358 179.161 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -65.65 -43.17 90.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.197 0.523 . . . . 25.0 111.247 178.462 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.27 79.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.964 0.412 . . . . 25.0 110.612 -178.251 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.5 m -69.71 -29.71 42.09 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.149 -179.562 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.93 65.48 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.127 0.421 . . . . 25.0 111.632 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.24 90.32 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 177.318 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -34.55 67.25 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 120.638 0.256 . . . . 25.0 110.512 176.548 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.445 ' HA ' HG12 ' A' ' 476' ' ' VAL . 4.2 mm100 -67.93 -47.21 69.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.864 0.364 . . . . 25.0 111.966 -179.2 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.15 -26.31 68.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 178.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -52.2 13.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 25.0 110.732 177.108 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.6 p -63.94 -38.71 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 118.788 0.722 . . . . 25.0 110.034 -175.658 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -64.71 -30.62 71.64 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.099 179.097 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.9 96.64 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.287 -0.565 . . . . 25.0 110.077 179.875 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.15 -32.92 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -178.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.98 65.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 178.656 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.19 -43.11 19.79 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.081 0.467 . . . . 25.0 110.493 176.696 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.0 mtm -61.66 -24.96 67.08 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -179.095 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 19.0 p -79.89 -36.4 36.56 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.306 -0.958 . . . . 25.0 110.01 -176.148 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -79.87 -31.48 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.587 -0.445 . . . . 25.0 110.787 176.786 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -77.85 -23.55 48.86 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.881 -0.512 . . . . 25.0 110.82 178.34 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -74.68 -12.17 82.82 Favored Glycine 0 C--O 1.227 -0.287 0 C-N-CA 121.448 -0.406 . . . . 25.0 112.535 178.654 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 43.94 45.59 6.53 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.457 1.103 . . . . 25.0 113.195 177.38 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -64.5 158.73 23.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.43 -0.805 . . . . 25.0 111.185 -178.235 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 145.75 -35.1 1.43 Allowed Glycine 0 C--O 1.223 -0.533 0 N-CA-C 109.2 -1.56 . . . . 25.0 109.2 -178.887 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.211 -0.961 0 CA-C-O 124.71 2.195 . . . . 25.0 111.389 177.501 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.915 0 CA-C-O 124.654 2.252 . . . . 25.0 111.191 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 32.8 t -146.67 157.28 43.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 112.931 -1.634 . . . . 25.0 108.467 -179.424 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -148.07 154.69 40.56 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 107.252 -1.388 . . . . 25.0 107.252 -178.78 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 6.5 t 53.76 43.73 30.62 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.996 0.81 . . . . 25.0 112.848 179.381 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -112.08 -5.6 14.25 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.259 -0.428 . . . . 25.0 111.797 -179.407 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 6.9 t 50.49 -157.87 0.09 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.572 0.749 . . . . 25.0 112.996 179.286 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -129.77 -31.61 1.96 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 -179.358 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.54 -43.42 61.1 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 108.558 -1.817 . . . . 25.0 108.558 176.114 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.16 -25.34 68.04 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 120.731 0.301 . . . . 25.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 85.2 t -67.69 -31.87 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 121.688 -0.633 . . . . 25.0 109.496 177.447 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.3 m -70.73 -36.06 73.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 178.261 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -72.97 -30.51 63.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 178.889 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.2 tpp -61.08 -31.56 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.399 -0.364 . . . . 25.0 110.999 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.71 -32.11 73.64 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.069 0.462 . . . . 25.0 110.295 178.754 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.92 -35.72 67.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 178.244 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.72 -42.53 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.174 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.18 -45.84 79.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.811 -0.441 . . . . 25.0 109.811 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.26 85.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.648 -0.251 . . . . 25.0 111.306 179.666 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.54 93.82 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.412 -0.358 . . . . 25.0 111.03 -178.605 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.61 -41.61 98.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.757 0.789 . . . . 25.0 110.298 -179.323 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 67.7 mt -60.94 -44.18 97.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.417 -0.81 . . . . 25.0 111.411 178.884 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -73.57 -31.8 63.81 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.703 -0.799 . . . . 25.0 110.962 178.002 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 7.4 tpp -60.63 -42.15 96.31 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 177.263 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 38.5 m -61.81 -37.37 84.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.068 178.704 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -67.97 -44.44 76.7 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 119.534 -0.866 . . . . 25.0 109.555 177.193 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.06 -40.66 94.49 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -178.334 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.7 m -67.7 -33.33 61.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.352 -0.539 . . . . 25.0 111.365 178.62 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.82 -23.34 52.77 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 177.225 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -80.0 -15.25 57.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 25.0 109.866 177.474 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -106.9 168.07 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 -178.598 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 143.72 -131.92 4.69 Favored Glycine 0 CA--C 1.509 -0.298 0 C-N-CA 120.235 -0.983 . . . . 25.0 113.85 177.723 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -136.16 -112.17 0.19 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.258 1.028 . . . . 25.0 108.87 -178.068 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 443' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' A' ' 445' ' ' ASP . 67.7 mtp180 -62.39 107.61 0.95 Allowed 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.148 -1.387 . . . . 25.0 110.562 176.555 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -85.01 23.84 1.16 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 172.744 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 445' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 443' ' ' ARG . 8.6 t0 -72.4 -21.01 61.34 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 113.988 -1.46 . . . . 25.0 111.812 -175.142 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -133.02 41.24 3.16 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 107.158 -1.423 . . . . 25.0 107.158 -178.736 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -117.03 53.87 0.89 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.601 -1.259 . . . . 25.0 107.601 -176.112 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.08 132.5 59.45 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-N 115.176 -0.92 . . . . 25.0 110.88 179.781 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -76.91 119.15 5.0 Favored 'Trans proline' 0 C--N 1.347 0.484 0 N-CA-C 115.583 1.34 . . . . 25.0 115.583 -175.644 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -174.27 63.14 0.12 Allowed Glycine 0 C--O 1.22 -0.724 0 CA-C-N 115.443 -0.799 . . . . 25.0 111.836 179.099 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 40.5 t -51.5 -46.9 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -175.606 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 5.1 m 47.61 32.48 2.5 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.386 1.624 . . . . 25.0 115.386 176.46 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -76.2 165.25 53.94 Favored Glycine 0 CA--C 1.516 0.152 0 N-CA-C 115.195 0.838 . . . . 25.0 115.195 -175.808 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -138.95 -179.97 6.14 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.223 -1.769 . . . . 25.0 106.223 179.391 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.6 t -146.66 176.88 9.51 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 -179.631 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -57.89 133.58 55.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.163 0.506 . . . . 25.0 111.749 -177.983 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -103.69 -54.41 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 174.875 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -66.74 -31.73 72.56 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -178.103 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.55 -33.8 88.23 Favored Glycine 0 C--O 1.222 -0.631 0 N-CA-C 110.837 -0.905 . . . . 25.0 110.837 176.863 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -69.46 -40.3 77.23 Favored 'General case' 0 C--O 1.22 -0.468 0 O-C-N 121.855 -0.791 . . . . 25.0 109.561 178.804 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -64.41 -35.4 80.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 178.21 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.7 86.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.514 178.318 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 -34.55 78.54 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.513 -0.475 . . . . 25.0 110.236 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.38 -34.17 72.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.732 -0.605 . . . . 25.0 110.97 176.757 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.97 -42.77 36.29 Favored Glycine 0 C--O 1.223 -0.536 0 N-CA-C 108.935 -1.666 . . . . 25.0 108.935 176.243 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.17 -39.11 69.15 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 120.896 0.379 . . . . 25.0 111.307 179.671 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -63.67 -45.59 89.4 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.196 0.522 . . . . 25.0 111.295 178.427 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.69 82.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.429 . . . . 25.0 110.731 -177.891 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.69 -31.3 48.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.514 -178.969 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.48 -34.63 69.24 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.266 0.484 . . . . 25.0 111.492 -179.358 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.64 88.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.903 -0.406 . . . . 25.0 109.903 177.904 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.8 67.24 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.361 -0.212 . . . . 25.0 110.649 177.11 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.431 ' HA ' HG12 ' A' ' 476' ' ' VAL . 41.0 mm-40 -68.9 -45.05 71.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.959 -0.463 . . . . 25.0 112.035 -178.439 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.06 -26.76 68.7 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 178.896 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -52.7 10.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.41 -0.814 . . . . 25.0 111.147 178.046 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.4 p -63.07 -36.69 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 118.57 0.623 . . . . 25.0 110.146 -175.235 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -63.36 -35.18 79.53 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.149 -0.478 . . . . 25.0 110.282 178.549 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.84 95.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.239 -179.353 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -70.69 -35.08 59.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 C-N-CA 120.61 -0.436 . . . . 25.0 109.848 -178.874 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.11 -26.92 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.31 0.576 . . . . 25.0 109.922 179.459 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.35 -43.89 18.4 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-O 120.931 0.396 . . . . 25.0 110.018 177.117 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.2 mtm -59.76 -29.01 67.88 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 120.842 0.353 . . . . 25.0 111.61 -179.3 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.5 p -76.36 -37.19 57.61 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 119.093 -1.043 . . . . 25.0 109.765 -175.999 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -86.13 -19.07 30.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.488 0.921 . . . . 25.0 113.488 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -87.63 -36.41 17.5 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 118.302 0.501 . . . . 25.0 111.185 175.403 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -85.18 -37.31 10.01 Favored Glycine 0 C--O 1.223 -0.541 0 C-N-CA 120.894 -0.669 . . . . 25.0 113.096 -176.631 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 53.53 8.08 0.12 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 117.057 2.243 . . . . 25.0 117.057 177.871 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.86 55.46 2.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.545 0.738 . . . . 25.0 110.828 179.021 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -81.42 59.65 4.79 Favored Glycine 0 C--O 1.223 -0.568 0 CA-C-N 116.535 -0.302 . . . . 25.0 112.734 -178.17 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.209 -1.04 0 CA-C-O 123.139 1.447 . . . . 25.0 111.501 -178.597 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 411' ' ' GLY . . . . . 0.647 ' N ' ' HG ' ' A' ' 416' ' ' SER . . . . . . . . 0 N--CA 1.492 2.406 0 CA-C-O 122.717 1.176 . . . . 25.0 112.38 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 32.0 t -68.39 -9.75 50.4 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.003 -1.292 . . . . 25.0 112.077 179.407 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -155.85 160.75 40.46 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 104.341 -2.466 . . . . 25.0 104.341 178.024 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 5.3 p 48.28 -113.13 0.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 O-C-N 124.075 0.86 . . . . 25.0 110.89 -179.341 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -157.21 169.55 24.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 -179.56 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.647 ' HG ' ' N ' ' A' ' 411' ' ' GLY . 49.7 m -128.59 143.77 51.02 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 105.326 -2.101 . . . . 25.0 105.326 176.007 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.25 -33.62 72.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 114.958 1.466 . . . . 25.0 114.958 -169.948 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.18 -41.5 96.9 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.056 -1.069 . . . . 25.0 110.571 178.113 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.85 -37.98 76.31 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 110.199 -0.297 . . . . 25.0 110.199 -179.21 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.46 -35.48 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.001 0.429 . . . . 25.0 110.396 178.092 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.3 m -64.65 -40.48 95.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.953 -0.467 . . . . 25.0 110.717 179.773 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -75.74 -30.39 59.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.401 0.62 . . . . 25.0 110.263 178.796 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.7 ttp -62.73 -42.71 99.8 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 178.484 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.11 -33.06 75.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.243 0.544 . . . . 25.0 110.472 178.82 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.82 -44.69 66.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 25.0 111.09 -179.423 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.64 -33.31 48.53 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 O-C-N 122.32 -0.237 . . . . 25.0 110.564 -179.34 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -57.83 -43.86 86.09 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 175.377 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.16 82.48 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.756 0.312 . . . . 25.0 110.864 178.562 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.58 87.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.699 0.285 . . . . 25.0 110.305 179.265 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.8 -44.07 97.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 178.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.02 -43.28 95.37 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.989 -0.55 . . . . 25.0 112.188 179.339 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -73.41 -32.11 64.25 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.202 -0.999 . . . . 25.0 110.856 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 68.9 mtm -67.93 -32.05 72.23 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.524 -0.735 . . . . 25.0 110.697 175.918 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.8 m -56.16 -41.89 76.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.362 0.265 . . . . 25.0 111.344 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -27.0 64.95 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 118.872 -1.131 . . . . 25.0 111.07 -178.675 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -72.66 -44.99 61.14 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.21 179.295 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.82 -31.71 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 -176.042 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 76.4 mt -69.27 -12.62 61.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.152 0.427 . . . . 25.0 112.152 176.691 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -109.42 -3.34 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.971 0.415 . . . . 25.0 110.571 178.599 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.9 145.02 38.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.087 0.47 . . . . 25.0 109.993 -178.309 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -171.33 -179.01 42.16 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 110.257 -1.137 . . . . 25.0 110.257 -179.44 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -95.92 -165.77 1.33 Allowed 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 106.803 -1.554 . . . . 25.0 106.803 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 64.72 -45.65 0.32 Allowed 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 117.492 2.404 . . . . 25.0 117.492 179.571 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 55.36 36.29 26.78 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.016 0.926 . . . . 25.0 111.73 179.024 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -32.16 73.39 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.666 -0.697 . . . . 25.0 111.238 -179.452 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -157.85 89.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.819 -1.919 . . . . 25.0 105.819 -178.446 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -132.93 42.58 3.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.163 -0.926 . . . . 25.0 109.772 177.814 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -73.02 142.56 82.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -75.95 150.46 34.21 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 CA-C-O 122.052 0.772 . . . . 25.0 112.746 -179.314 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -140.12 129.42 4.24 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 109.525 -1.43 . . . . 25.0 109.525 179.378 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.0 119.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 122.01 0.91 . . . . 25.0 108.662 179.886 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 20.8 m -104.22 40.12 1.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.561 -0.745 . . . . 25.0 111.613 -176.718 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 88.33 0.15 82.83 Favored Glycine 0 C--O 1.226 -0.376 0 C-N-CA 121.272 -0.49 . . . . 25.0 112.528 -178.016 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 65.53 -177.03 0.18 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.722 1.209 . . . . 25.0 112.408 -179.424 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 m -99.02 172.62 7.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.662 -0.699 . . . . 25.0 110.937 -177.712 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -61.16 157.24 16.45 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.701 -0.851 . . . . 25.0 108.701 175.912 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -105.23 -75.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.081 0.467 . . . . 25.0 111.716 178.291 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -61.27 -30.67 70.61 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.892 -0.505 . . . . 25.0 112.136 -177.455 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -62.45 -33.73 87.23 Favored Glycine 0 C--O 1.221 -0.697 0 CA-C-N 115.87 -0.605 . . . . 25.0 112.047 179.359 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.85 -43.97 78.21 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 117.509 0.655 . . . . 25.0 109.768 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -63.47 -35.48 80.59 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.471 -0.566 . . . . 25.0 109.471 -178.85 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.54 -48.31 67.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.149 -0.478 . . . . 25.0 111.31 177.268 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.36 -37.27 84.93 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 117.962 0.347 . . . . 25.0 111.335 -178.321 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -60.68 -33.66 73.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.65 -0.656 . . . . 25.0 110.068 176.888 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.45 -47.99 32.41 Favored Glycine 0 C--O 1.215 -1.047 0 N-CA-C 109.035 -1.626 . . . . 25.0 109.035 176.124 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.79 -38.96 65.04 Favored 'General case' 0 C--O 1.209 -1.058 0 C-N-CA 123.037 0.535 . . . . 25.0 112.417 -178.317 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -72.88 -40.13 65.87 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 122.603 1.192 . . . . 25.0 113.648 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.5 92.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 115.119 -0.946 . . . . 25.0 110.153 178.038 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -73.69 -26.58 21.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 CA-C-O 119.339 -0.363 . . . . 25.0 110.51 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.58 -35.66 66.01 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.519 0.6 . . . . 25.0 111.115 -179.419 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.19 89.82 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.809 0.337 . . . . 25.0 110.278 177.025 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.67 -34.44 67.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.677 0.275 . . . . 25.0 110.915 176.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.415 ' HA ' HG12 ' A' ' 476' ' ' VAL . 70.7 mm-40 -68.34 -47.62 66.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.009 -0.432 . . . . 25.0 111.695 -179.745 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 8.4 ptm85 -64.37 -26.13 68.33 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.193 -0.603 . . . . 25.0 109.855 178.186 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -50.33 32.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.151 176.736 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.2 p -64.14 -35.31 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 -177.741 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -62.73 -36.9 84.51 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.518 -0.765 . . . . 25.0 109.697 178.05 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.79 92.58 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.113 -0.367 . . . . 25.0 110.678 179.377 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -69.8 -34.23 59.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 O-C-N 121.981 -0.449 . . . . 25.0 109.842 -179.02 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.09 -27.12 65.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.436 0.636 . . . . 25.0 109.337 178.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.31 -41.16 22.52 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.202 0.525 . . . . 25.0 110.428 176.829 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.8 mtm -61.55 -28.08 69.08 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 116.286 -0.415 . . . . 25.0 111.539 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.9 p -79.08 -34.7 43.37 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.439 -0.904 . . . . 25.0 110.592 -175.997 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -81.04 -24.17 38.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.803 176.629 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -85.73 -10.95 54.81 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.307 0.575 . . . . 25.0 111.83 176.136 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 85.11 -42.84 3.18 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 110.256 -1.138 . . . . 25.0 110.256 -176.936 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 90.5 mtm-85 -141.07 -68.62 0.39 Allowed 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 122.762 1.267 . . . . 25.0 110.044 176.772 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -160.45 168.09 25.88 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 112.878 -1.965 . . . . 25.0 106.207 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -173.95 -43.61 0.05 OUTLIER Glycine 0 C--O 1.225 -0.453 0 CA-C-O 121.977 0.765 . . . . 25.0 112.167 178.756 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--O 1.212 -0.883 0 CA-C-O 123.316 1.532 . . . . 25.0 111.745 177.914 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 CA-C-O 123.068 1.371 . . . . 25.0 112.91 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 45.4 m -93.21 142.03 27.76 Favored 'General case' 0 N--CA 1.462 0.135 0 O-C-N 121.223 -1.163 . . . . 25.0 109.831 179.362 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 44.3 mtt85 65.12 -173.9 0.18 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.541 1.136 . . . . 25.0 110.588 -178.025 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 8.0 p -148.21 -42.47 0.16 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 179.004 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -156.0 172.78 17.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 177.068 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 68.3 m -114.11 152.48 31.03 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 106.163 -1.792 . . . . 25.0 106.163 176.243 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.47 -23.48 61.82 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.824 -0.625 . . . . 25.0 112.267 -173.526 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.14 -36.91 91.01 Favored Glycine 0 C--O 1.226 -0.376 0 C-N-CA 120.29 -0.957 . . . . 25.0 110.765 178.229 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.18 -36.68 83.71 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-O 121.24 0.543 . . . . 25.0 109.656 -178.941 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.24 -35.13 74.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.068 -0.515 . . . . 25.0 110.641 179.684 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 49.3 m -66.03 -38.71 89.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.823 -0.548 . . . . 25.0 110.334 177.803 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.74 -30.14 59.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.411 0.624 . . . . 25.0 109.91 179.382 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 49.1 ttm -60.49 -40.69 92.21 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 109.079 -0.712 . . . . 25.0 109.079 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.96 -33.92 76.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.932 0.396 . . . . 25.0 110.854 178.77 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.69 -46.78 57.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.808 0.337 . . . . 25.0 111.07 -179.061 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.84 -34.17 63.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 N-CA-C 110.376 -0.231 . . . . 25.0 110.376 -178.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -57.37 -44.55 84.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 175.62 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.25 90.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.18 -0.325 . . . . 25.0 110.661 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.23 88.72 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.392 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -62.74 -46.09 89.67 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 178.854 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 51.1 mt -58.42 -41.92 86.06 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 179.435 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -74.78 -32.8 62.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 119.82 -0.752 . . . . 25.0 111.948 176.358 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 60.8 mtm -68.14 -34.37 76.23 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.763 -0.586 . . . . 25.0 110.228 177.748 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.0 m -54.54 -32.7 58.75 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.46 0.648 . . . . 25.0 110.343 178.328 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -66.48 -42.79 86.95 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.746 -0.596 . . . . 25.0 109.884 -178.792 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -72.33 -38.05 68.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.609 -0.885 . . . . 25.0 108.609 -179.313 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.47 -41.62 85.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.161 178.967 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 55.5 mt -64.62 -37.11 86.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.865 0.364 . . . . 25.0 110.913 178.489 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -74.69 -16.31 60.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.667 0.27 . . . . 25.0 111.341 179.387 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -103.95 17.74 23.47 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.993 0.517 . . . . 25.0 110.269 179.44 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -82.87 -161.43 30.45 Favored Glycine 0 CA--C 1.519 0.293 0 CA-C-O 121.556 0.531 . . . . 25.0 112.903 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -143.5 153.44 42.62 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 105.105 -2.183 . . . . 25.0 105.105 -179.739 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -65.57 149.68 49.66 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.0 -1.0 . . . . 25.0 110.5 -178.776 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -97.75 35.74 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 177.572 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 8.3 t0 54.78 22.18 4.01 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.335 1.454 . . . . 25.0 114.35 -179.788 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 65.18 27.39 12.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.05 -1.887 . . . . 25.0 111.486 177.629 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -77.56 35.73 0.19 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.622 0.769 . . . . 25.0 110.85 177.261 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -75.24 155.86 85.9 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.223 -177.976 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.88 174.47 11.85 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 CA-C-O 121.987 0.745 . . . . 25.0 113.942 -178.314 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.24 -23.88 6.38 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 118.941 2.337 . . . . 25.0 118.941 -176.316 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 8.9 p -59.99 -28.5 41.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 C-N-CA 122.433 0.293 . . . . 25.0 111.11 178.907 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 15.8 m -86.17 5.28 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.302 0.573 . . . . 25.0 111.76 179.796 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 96.53 -5.91 65.01 Favored Glycine 0 C--O 1.239 0.437 0 CA-C-N 116.253 -0.43 . . . . 25.0 113.081 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -58.95 113.92 2.31 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.603 0.361 . . . . 25.0 110.694 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 27.6 m 56.25 8.6 0.42 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.622 1.342 . . . . 25.0 114.622 -177.766 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -81.92 56.85 3.24 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 122.933 0.493 . . . . 25.0 111.81 -177.223 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -42.84 -54.56 4.09 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.975 1.102 . . . . 25.0 113.975 -176.501 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -65.04 -32.22 73.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.704 -0.623 . . . . 25.0 112.678 179.617 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -69.9 -33.76 70.74 Favored Glycine 0 C--O 1.223 -0.534 0 N-CA-C 110.485 -1.046 . . . . 25.0 110.485 178.121 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 460' ' ' GLN . . . . . 0.465 ' HA ' HD23 ' A' ' 463' ' ' LEU . 81.7 mt-30 -64.46 -34.9 79.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.946 -0.738 . . . . 25.0 109.229 177.622 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -67.19 -33.03 74.51 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.15 -0.62 . . . . 25.0 109.652 178.629 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -69.57 -37.26 76.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.264 176.923 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.3 OUTLIER -67.71 -33.88 75.76 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.483 -0.562 . . . . 25.0 109.483 178.985 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.53 -34.76 73.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.139 -0.624 . . . . 25.0 109.912 174.791 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.27 -44.84 73.42 Favored Glycine 0 C--O 1.218 -0.883 0 N-CA-C 108.697 -1.761 . . . . 25.0 108.697 176.091 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.32 65.88 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.767 0.427 . . . . 25.0 111.586 179.39 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -67.86 -42.13 81.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.037 0.446 . . . . 25.0 111.515 178.426 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.22 79.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.157 0.503 . . . . 25.0 110.574 -178.606 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.27 -26.46 31.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 CA-C-N 116.411 -0.359 . . . . 25.0 110.488 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.14 -32.8 64.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 117.946 0.339 . . . . 25.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.98 89.43 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 177.312 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -34.31 67.08 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 120.571 0.225 . . . . 25.0 110.509 176.623 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.459 ' HA ' HG12 ' A' ' 476' ' ' VAL . 60.7 mm-40 -67.9 -46.52 71.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.092 0.472 . . . . 25.0 112.049 -179.307 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.18 -27.19 69.2 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 178.111 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.27 -51.64 14.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.856 -0.611 . . . . 25.0 111.056 177.333 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.0 p -62.94 -35.71 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 118.8 0.727 . . . . 25.0 109.808 -175.753 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -62.13 -35.79 79.83 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.211 178.693 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.74 95.79 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.25 -33.11 49.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 121.957 -0.464 . . . . 25.0 109.87 -179.296 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.96 65.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 178.567 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -78.97 -44.35 22.6 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 121.022 0.439 . . . . 25.0 109.975 177.59 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.9 mtm -60.68 -31.07 70.33 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 121.301 0.572 . . . . 25.0 111.328 -179.462 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.0 p -77.04 -31.58 56.36 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.785 -0.766 . . . . 25.0 110.614 -174.574 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -85.05 -30.32 24.21 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.36 -0.536 . . . . 25.0 110.992 174.992 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.24 -42.48 83.9 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.697 -0.627 . . . . 25.0 109.504 178.367 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -89.07 0.86 82.38 Favored Glycine 0 C--O 1.224 -0.531 0 N-CA-C 111.759 -0.536 . . . . 25.0 111.759 179.098 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.08 13.27 1.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.775 1.398 . . . . 25.0 114.775 -178.823 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.43 -23.37 64.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.909 0.385 . . . . 25.0 110.297 179.078 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -86.23 15.07 51.69 Favored Glycine 0 C--O 1.225 -0.444 0 CA-C-O 121.575 0.542 . . . . 25.0 111.78 178.209 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 36.0 p . . . . . 0 C--O 1.211 -0.958 0 CA-C-O 124.74 2.21 . . . . 25.0 111.428 -179.207 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 121.83 0.683 . . . . 25.0 112.695 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 18.1 m 54.08 30.61 12.26 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.975 1.102 . . . . 25.0 113.975 178.429 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 60.73 110.83 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.023 1.49 . . . . 25.0 115.023 -178.698 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 63.3 m -86.23 176.37 7.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.734 0.778 . . . . 25.0 110.63 179.812 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.86 50.32 0.85 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.565 0.95 . . . . 25.0 113.565 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.4 m -85.07 25.8 0.93 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.764 0.426 . . . . 25.0 111.571 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 61.98 -64.55 0.08 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.958 1.703 . . . . 25.0 115.143 179.193 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.02 -35.06 91.52 Favored Glycine 0 C--O 1.223 -0.535 0 N-CA-C 111.399 -0.68 . . . . 25.0 111.399 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.76 -34.79 78.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 178.251 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 26.0 t -74.12 -41.07 51.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.491 -179.369 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.0 m -64.26 -38.37 90.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.043 0.449 . . . . 25.0 110.268 179.183 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -74.72 -24.99 58.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.239 -0.437 . . . . 25.0 110.548 178.403 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 25.9 ttm -64.29 -46.69 82.51 Favored 'General case' 0 C--O 1.215 -0.751 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 177.35 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.12 76.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.981 0.42 . . . . 25.0 110.603 -179.333 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.25 -48.2 68.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 25.0 111.448 -179.829 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.14 -35.48 58.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 C-N-CA 121.1 -0.24 . . . . 25.0 110.614 -178.447 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.76 -47.62 84.03 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 176.759 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.28 93.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.929 0.395 . . . . 25.0 110.211 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.74 75.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.506 -179.1 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.13 -31.08 69.52 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.677 -0.64 . . . . 25.0 110.486 -178.161 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.86 -43.69 95.35 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.002 -0.436 . . . . 25.0 110.728 177.045 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.91 -32.26 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.263 -0.975 . . . . 25.0 109.909 178.244 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.0 tpp -61.79 -40.76 96.34 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 177.317 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 63.4 m -63.91 -37.58 87.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.483 . . . . 25.0 110.081 178.534 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -65.99 -46.76 76.85 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.401 -0.812 . . . . 25.0 109.315 177.471 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.96 -44.23 82.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.115 -178.323 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.2 -35.59 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 113.282 0.845 . . . . 25.0 113.282 179.522 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 70.4 mt -71.13 -35.83 71.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 178.649 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -79.37 -15.19 58.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.539 0.209 . . . . 25.0 111.377 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -68.46 132.97 47.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.552 0.692 . . . . 25.0 110.898 -178.222 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 149.45 176.53 22.74 Favored Glycine 0 C--O 1.224 -0.517 0 N-CA-C 110.809 -0.916 . . . . 25.0 110.809 178.909 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -86.56 25.05 1.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.497 0.554 . . . . 25.0 112.497 -178.398 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -66.9 -52.57 41.65 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.712 0.634 . . . . 25.0 112.712 -177.708 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 53.17 27.48 5.97 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.951 1.463 . . . . 25.0 114.951 178.151 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -71.62 -32.58 68.13 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.285 0.564 . . . . 25.0 112.387 -177.182 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -125.46 19.86 8.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.52 -0.763 . . . . 25.0 112.689 -172.955 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -90.42 44.28 1.19 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.927 -175.94 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.48 145.59 93.05 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.063 0.458 . . . . 25.0 110.27 178.612 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -77.52 162.93 30.09 Favored 'Trans proline' 0 C--N 1.345 0.386 0 CA-C-O 121.812 0.672 . . . . 25.0 113.316 -178.845 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -76.35 47.85 2.41 Favored Glycine 0 C--O 1.223 -0.545 0 CA-C-N 115.307 -0.86 . . . . 25.0 114.898 -179.633 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 9.3 p -81.23 -13.39 12.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 122.03 0.919 . . . . 25.0 109.606 179.395 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 26.5 m -63.93 150.07 45.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.996 -179.51 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 113.13 -35.02 4.77 Favored Glycine 0 C--O 1.223 -0.578 0 N-CA-C 111.217 -0.753 . . . . 25.0 111.217 179.55 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -84.57 10.09 11.93 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.536 0.684 . . . . 25.0 110.329 177.665 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.97 110.77 5.23 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 -176.717 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -148.74 151.43 34.84 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 106.743 -1.577 . . . . 25.0 106.743 176.305 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -105.61 -76.7 0.6 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.249 0.547 . . . . 25.0 111.602 177.138 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -59.55 -28.92 67.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -178.037 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.8 88.23 Favored Glycine 0 C--O 1.225 -0.448 0 C-N-CA 120.901 -0.666 . . . . 25.0 111.483 178.302 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -67.15 -45.47 76.95 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 179.049 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -64.29 -37.21 86.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.287 -177.879 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.16 91.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.013 -0.54 . . . . 25.0 109.998 177.867 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -37.47 85.92 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 120.796 -0.361 . . . . 25.0 110.806 -179.349 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -57.53 -38.5 74.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.761 0.709 . . . . 25.0 110.958 177.354 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.25 44.38 Favored Glycine 0 C--O 1.222 -0.655 0 N-CA-C 109.543 -1.423 . . . . 25.0 109.543 176.857 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.26 -38.98 63.52 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -65.3 -47.83 75.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.199 0.523 . . . . 25.0 111.201 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.5 87.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.739 -177.587 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.3 m -70.13 -31.36 47.22 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.039 0 C-N-CA 120.323 -0.551 . . . . 25.0 110.734 -178.57 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.94 71.64 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.582 0.628 . . . . 25.0 111.417 -178.67 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.21 86.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 178.07 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.14 68.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.756 -0.202 . . . . 25.0 110.999 177.604 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.422 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.9 mm-40 -66.22 -46.15 78.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.884 -0.51 . . . . 25.0 111.886 -179.29 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.92 -27.55 69.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -52.57 12.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 25.0 110.867 177.184 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 473' ' ' GLN . 15.0 p -63.02 -36.09 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 118.725 0.693 . . . . 25.0 109.904 -175.293 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -62.88 -35.31 79.57 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.246 178.762 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.37 89.83 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.567 -0.453 . . . . 25.0 110.088 -179.463 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.44 -35.34 66.43 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 N-CA-C 109.803 -0.443 . . . . 25.0 109.803 -178.624 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.41 -26.8 63.66 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.4 mt -81.37 -42.87 19.83 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.996 0.426 . . . . 25.0 110.754 176.291 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 41.5 mtm -59.55 -24.09 63.41 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 115.816 -0.629 . . . . 25.0 111.745 -178.069 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 40.7 p -80.52 -24.23 39.49 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 119.739 -0.784 . . . . 25.0 110.616 -177.859 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.89 -37.16 20.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.797 0.808 . . . . 25.0 108.925 177.875 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.53 -25.32 66.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 173.717 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -90.03 12.5 67.45 Favored Glycine 0 C--O 1.221 -0.717 0 CA-C-N 115.526 -0.761 . . . . 25.0 113.946 -177.365 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -76.42 -7.14 54.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 117.249 0.524 . . . . 25.0 110.157 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 52.8 46.13 27.35 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.976 0.894 . . . . 25.0 111.779 177.568 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 82.61 -43.49 3.07 Favored Glycine 0 C--O 1.225 -0.44 0 CA-C-N 115.434 -0.803 . . . . 25.0 111.645 -177.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 124.126 1.917 . . . . 25.0 112.322 -179.397 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.002 0 CA-C-O 124.852 2.362 . . . . 25.0 112.583 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 38.3 m -64.78 123.16 18.63 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 121.169 -1.194 . . . . 25.0 108.521 179.41 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 59.17 42.21 19.06 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.841 -0.618 . . . . 25.0 110.395 -177.25 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 2.8 t 72.23 -158.64 0.1 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.007 1.323 . . . . 25.0 113.13 176.962 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -61.93 144.14 55.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.828 0.823 . . . . 25.0 112.641 -175.601 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 56.1 m -115.36 50.42 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.248 -0.887 . . . . 25.0 110.495 -179.897 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 62.26 -56.83 0.13 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 117.695 2.48 . . . . 25.0 117.695 177.064 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.94 -31.75 80.51 Favored Glycine 0 C--O 1.226 -0.389 0 N-CA-C 108.994 -1.642 . . . . 25.0 108.994 178.902 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -56.01 -33.21 64.68 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 114.571 -0.814 . . . . 25.0 111.508 178.611 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.2 -34.4 69.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.664 0.269 . . . . 25.0 110.901 -176.34 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 39.4 m -68.4 -42.44 79.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.066 0.46 . . . . 25.0 110.649 -179.573 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -75.55 -30.29 59.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.079 -0.51 . . . . 25.0 109.654 -179.339 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 64.0 ttp -64.0 -40.67 96.88 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 176.375 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.77 -34.27 77.94 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.94 -0.475 . . . . 25.0 110.536 178.434 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.13 -45.54 66.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.632 0.253 . . . . 25.0 111.378 179.901 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.08 -32.56 48.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.559 -179.21 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.28 -43.63 88.08 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 174.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.86 88.96 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.992 -0.443 . . . . 25.0 110.326 179.33 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.75 -42.82 85.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.285 178.799 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.19 -45.24 95.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.85 -43.62 98.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.25 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -73.75 -33.09 64.15 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.426 -0.909 . . . . 25.0 111.924 178.619 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 70.1 mtm -65.2 -38.0 89.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 108.732 -0.84 . . . . 25.0 108.732 176.077 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 87.9 m -59.27 -38.51 80.29 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.379 -0.601 . . . . 25.0 109.379 176.891 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -65.36 -42.24 93.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.365 -0.835 . . . . 25.0 109.404 179.392 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.91 -44.85 88.21 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.11 0.781 . . . . 25.0 113.11 -178.842 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.58 -33.03 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 120.399 -0.521 . . . . 25.0 111.052 -179.675 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 68.7 mt -73.6 -5.3 39.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 176.187 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -109.92 -6.83 15.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.166 -0.334 . . . . 25.0 110.501 174.776 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -90.97 170.2 10.25 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.74 -1.578 . . . . 25.0 106.74 178.779 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -76.04 143.34 29.69 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 107.863 -2.095 . . . . 25.0 107.863 176.095 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -90.55 -151.74 0.25 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 178.722 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -66.78 155.79 37.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.256 -1.016 . . . . 25.0 108.256 176.617 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -102.47 20.61 16.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.406 0.622 . . . . 25.0 110.292 178.768 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.24 -40.58 77.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.147 -0.933 . . . . 25.0 112.069 -174.843 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -118.87 20.29 12.84 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.78 0.8 . . . . 25.0 110.546 -177.271 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -120.56 52.25 1.18 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.807 0.813 . . . . 25.0 109.64 -175.629 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.51 145.53 59.16 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-N 114.952 -1.022 . . . . 25.0 110.085 178.865 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.34 67.43 7.02 Favored 'Trans proline' 0 C--N 1.349 0.577 0 N-CA-C 114.628 0.972 . . . . 25.0 114.628 -178.29 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 154.86 69.35 0.01 OUTLIER Glycine 0 C--N 1.319 -0.392 0 CA-C-N 115.004 -0.998 . . . . 25.0 113.886 178.835 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 47.0 t -107.99 100.5 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 178.479 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 82.5 p -161.08 172.63 16.47 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 179.192 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -78.81 -0.47 81.19 Favored Glycine 0 C--O 1.225 -0.455 0 C-N-CA 120.615 -0.802 . . . . 25.0 113.219 178.288 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -118.63 3.76 11.7 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.99 0.395 . . . . 25.0 111.963 -178.04 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 55.8 p -105.81 166.91 10.14 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 -178.618 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 65.99 165.16 0.18 Allowed 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 125.047 1.339 . . . . 25.0 112.041 -177.668 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -110.45 -67.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.857 0.837 . . . . 25.0 111.165 173.777 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -58.84 -42.15 88.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.274 1.035 . . . . 25.0 112.749 -177.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -58.66 -33.83 74.08 Favored Glycine 0 C--O 1.223 -0.549 0 CA-C-N 113.831 -1.532 . . . . 25.0 113.611 179.17 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.03 -45.49 92.06 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 118.028 0.914 . . . . 25.0 109.709 179.731 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -67.01 -33.97 76.73 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.408 -0.517 . . . . 25.0 110.295 -178.92 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.28 -47.05 78.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 177.595 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -39.98 92.12 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 122.219 -0.3 . . . . 25.0 110.218 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.26 -30.13 71.33 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.556 -0.715 . . . . 25.0 110.905 178.169 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.94 -48.22 55.68 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 108.124 -1.99 . . . . 25.0 108.124 175.566 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.81 -38.49 70.04 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.826 0.313 . . . . 25.0 111.45 179.029 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -66.92 -44.98 79.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 25.0 110.617 178.665 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.15 89.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.137 -0.483 . . . . 25.0 110.828 -178.019 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -70.0 -31.44 47.83 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 C-N-CA 120.291 -0.563 . . . . 25.0 109.844 -179.475 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.85 -35.49 73.01 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.643 0.656 . . . . 25.0 111.007 -179.684 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.26 86.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 177.769 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -37.69 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.517 0.199 . . . . 25.0 110.721 177.035 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.407 ' HA ' HG12 ' A' ' 476' ' ' VAL . 42.7 mm-40 -66.02 -45.44 81.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.97 -0.456 . . . . 25.0 111.714 -178.576 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.47 -27.12 68.77 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.393 -0.523 . . . . 25.0 109.63 179.526 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.96 -52.68 12.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.414 177.529 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.4 p -63.58 -36.54 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 118.449 0.568 . . . . 25.0 109.771 -175.629 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -64.67 -32.37 74.01 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.198 -0.456 . . . . 25.0 110.756 178.416 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.73 99.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.585 -0.446 . . . . 25.0 110.085 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.7 -34.27 51.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 N-CA-C 109.392 -0.595 . . . . 25.0 109.392 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.26 -26.83 65.26 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.4 0.619 . . . . 25.0 110.118 179.459 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.0 mt -77.03 -41.82 41.0 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 176.933 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.4 mtm -63.86 -28.37 69.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 41.3 p -78.72 -34.94 45.53 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 119.282 -0.967 . . . . 25.0 110.008 -177.042 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -78.12 -32.84 50.66 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.893 -0.723 . . . . 25.0 110.335 177.086 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -72.18 -33.33 67.59 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.832 -0.543 . . . . 25.0 109.735 178.312 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -82.64 10.51 55.91 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 112.063 -0.415 . . . . 25.0 112.063 176.434 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 49.79 34.64 7.83 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.799 1.24 . . . . 25.0 113.881 179.381 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -111.15 8.85 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.812 -0.631 . . . . 25.0 109.637 -179.29 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -77.8 71.23 2.39 Favored Glycine 0 C--O 1.225 -0.411 0 CA-C-O 121.566 0.537 . . . . 25.0 111.915 178.899 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.208 -1.106 0 CA-C-O 123.801 1.762 . . . . 25.0 112.82 179.83 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.122 0 CA-C-O 124.39 2.105 . . . . 25.0 112.968 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 43.2 p -85.22 151.51 24.03 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.407 -1.055 . . . . 25.0 110.109 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -125.34 155.4 40.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 178.112 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 66.7 m -137.34 157.4 46.7 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 104.925 -2.25 . . . . 25.0 104.925 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -159.35 -23.23 0.07 Allowed 'General case' 0 C--O 1.2 -1.54 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 -178.127 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 28.2 t 65.48 135.52 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 123.429 1.585 . . . . 25.0 113.57 -176.491 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.91 -34.72 78.77 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 113.919 -1.491 . . . . 25.0 113.809 -175.36 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.45 -40.96 38.25 Favored Glycine 0 C--O 1.219 -0.815 0 C-N-CA 120.164 -1.017 . . . . 25.0 110.963 -179.405 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.97 -32.96 74.69 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 122.744 0.417 . . . . 25.0 110.545 -177.656 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.2 -30.05 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 122.032 -0.417 . . . . 25.0 110.825 178.644 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 37.7 m -66.01 -40.69 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.452 -0.78 . . . . 25.0 110.028 179.395 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -75.93 -32.21 59.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.304 0.574 . . . . 25.0 109.622 178.413 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 39.5 ttm -61.8 -37.71 85.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.221 179.229 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -61.78 -31.87 72.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.14 0.495 . . . . 25.0 111.123 179.298 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.48 -36.08 71.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 178.225 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.39 -43.97 87.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 178.349 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -58.63 -45.16 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.627 -0.509 . . . . 25.0 109.627 178.874 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.09 98.94 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.878 -0.514 . . . . 25.0 111.04 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.19 81.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.192 0.441 . . . . 25.0 112.192 -178.371 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.439 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 26.0 pt-20 -70.36 -32.36 70.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.636 -0.826 . . . . 25.0 109.788 -178.631 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.54 -46.07 90.06 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.558 -0.457 . . . . 25.0 109.975 177.802 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -73.62 -36.12 65.41 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.013 -1.075 . . . . 25.0 112.999 -178.262 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 433' ' ' MET . . . . . 0.439 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 21.6 ptp -64.92 -35.89 82.62 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 119.485 -0.886 . . . . 25.0 110.249 -179.812 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 37.7 m -67.48 -37.43 82.88 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -64.73 -43.76 92.36 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.411 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -46.96 87.46 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.544 -0.753 . . . . 25.0 112.351 -179.093 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.8 m -69.53 -38.26 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 120.307 -0.557 . . . . 25.0 111.382 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.32 -43.89 89.59 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 121.23 -0.188 . . . . 25.0 111.414 179.312 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -62.83 -35.49 80.12 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.728 -0.607 . . . . 25.0 111.51 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.34 71.92 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -178.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -119.76 24.08 8.09 Favored Glycine 0 C--O 1.225 -0.442 0 CA-C-O 119.625 -0.542 . . . . 25.0 112.996 -178.338 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 71.46 121.06 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.419 1.487 . . . . 25.0 110.312 -174.172 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -62.78 151.26 39.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 114.481 1.289 . . . . 25.0 114.481 -174.483 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -119.34 24.23 10.82 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 114.606 -1.179 . . . . 25.0 108.621 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.28 -33.66 71.34 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.568 -1.197 . . . . 25.0 110.516 -179.446 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -159.52 94.17 1.15 Allowed 'General case' 0 C--O 1.239 0.552 0 N-CA-C 104.234 -2.506 . . . . 25.0 104.234 177.556 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -142.98 34.02 1.37 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.354 -0.839 . . . . 25.0 109.986 178.135 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -68.67 132.24 91.02 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -177.213 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -80.97 147.79 16.89 Favored 'Trans proline' 0 C--N 1.348 0.55 0 CA-C-O 121.526 0.553 . . . . 25.0 112.935 179.093 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 149.22 177.91 23.77 Favored Glycine 0 N--CA 1.437 -1.24 0 N-CA-C 109.27 -1.532 . . . . 25.0 109.27 177.84 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.06 139.15 46.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 105.686 -1.968 . . . . 25.0 105.686 176.492 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 21.1 m -116.99 165.9 12.81 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.869 -0.419 . . . . 25.0 109.869 -176.716 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -81.01 48.58 3.8 Favored Glycine 0 C--O 1.224 -0.498 0 N-CA-C 112.138 -0.385 . . . . 25.0 112.138 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -150.05 172.48 15.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 -177.276 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.5 p -67.79 147.26 52.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 177.636 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -64.71 137.26 57.7 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 178.047 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -104.31 -57.71 1.99 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.359 177.286 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -60.52 -36.39 78.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.637 0.732 . . . . 25.0 112.28 179.839 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -61.11 -31.8 78.1 Favored Glycine 0 C--O 1.226 -0.399 0 CA-C-N 115.48 -0.782 . . . . 25.0 112.881 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -71.55 -39.79 70.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 179.063 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -64.54 -35.2 80.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.601 -0.888 . . . . 25.0 108.601 178.412 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.59 -37.31 82.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.209 178.445 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -31.55 72.55 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 121.771 -0.58 . . . . 25.0 110.214 -179.591 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -59.99 -34.94 73.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.901 -0.5 . . . . 25.0 110.161 176.359 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.21 -40.02 56.67 Favored Glycine 0 C--O 1.22 -0.721 0 N-CA-C 109.471 -1.451 . . . . 25.0 109.471 176.526 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.0 71.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.786 0.326 . . . . 25.0 110.939 179.285 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -64.54 -44.22 91.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.179 0.514 . . . . 25.0 111.161 178.355 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.27 -45.33 80.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.354 -178.13 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.2 m -69.8 -28.01 35.4 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.767 -178.691 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.14 70.41 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.807 -0.558 . . . . 25.0 110.879 179.531 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.76 84.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 177.549 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.73 -36.45 67.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.576 0.227 . . . . 25.0 110.917 177.335 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.57 -45.73 78.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.142 0.496 . . . . 25.0 111.659 -179.643 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -65.12 -27.02 68.45 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 119.84 -0.744 . . . . 25.0 109.501 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.75 -49.83 28.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.033 177.06 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.64 -36.73 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 118.707 0.685 . . . . 25.0 109.259 -177.079 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -64.25 -33.6 76.18 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.652 178.382 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.46 99.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.857 -0.527 . . . . 25.0 110.209 179.335 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.61 -34.46 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 179.814 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.68 -25.41 64.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 179.043 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.99 -41.82 22.13 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 121.02 0.438 . . . . 25.0 110.092 176.203 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.0 mtm -60.85 -28.19 68.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.909 0.385 . . . . 25.0 111.737 -179.924 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 37.0 p -76.77 -36.25 57.15 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.635 -0.826 . . . . 25.0 110.756 -176.845 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.8 -29.37 40.28 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.472 -0.491 . . . . 25.0 110.153 176.679 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -66.14 -36.06 82.14 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 175.781 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -79.72 7.34 55.09 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 116.105 -0.498 . . . . 25.0 113.317 177.787 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 48.22 45.33 19.99 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.905 0.882 . . . . 25.0 112.931 178.172 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -60.28 123.63 17.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.323 -0.399 . . . . 25.0 110.694 -179.469 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -87.24 36.27 3.34 Favored Glycine 0 C--O 1.224 -0.494 0 CA-C-O 121.641 0.578 . . . . 25.0 112.295 179.267 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.211 -0.969 0 CA-C-O 123.285 1.517 . . . . 25.0 110.706 -178.547 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.916 0 CA-C-O 125.667 2.815 . . . . 25.0 110.501 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 67.7 m -79.78 115.55 19.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 112.501 -1.85 . . . . 25.0 108.909 179.194 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -58.71 -38.15 77.69 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.729 -0.214 . . . . 25.0 111.306 -179.406 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 11.0 m 68.22 -34.16 0.25 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.99 1.478 . . . . 25.0 114.99 -178.794 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -160.27 172.55 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 103.781 -2.674 . . . . 25.0 103.781 175.977 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 30.9 m -105.92 150.81 25.3 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.145 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.65 -21.22 15.94 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.763 1.394 . . . . 25.0 114.763 -173.875 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.53 -47.71 55.22 Favored Glycine 0 C--O 1.218 -0.893 0 N-CA-C 110.085 -1.206 . . . . 25.0 110.085 -178.457 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.73 -36.51 79.04 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.127 -0.537 . . . . 25.0 110.675 179.428 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.63 -33.07 57.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.72 0.295 . . . . 25.0 110.473 177.72 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.8 m -66.82 -39.0 87.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.785 -0.572 . . . . 25.0 110.156 179.03 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -73.79 -33.44 64.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.46 0.648 . . . . 25.0 109.32 178.205 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 63.5 ttp -65.35 -33.35 75.77 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 115.968 -0.56 . . . . 25.0 110.365 179.873 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.59 70.64 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.027 0.441 . . . . 25.0 110.867 178.687 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.04 70.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.843 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.99 -42.66 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 178.322 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.41 -44.19 88.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.323 0.582 . . . . 25.0 109.671 178.433 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.0 94.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.808 -0.558 . . . . 25.0 111.059 179.215 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.66 -44.88 80.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.613 -178.516 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -69.76 -31.02 68.74 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.71 -0.796 . . . . 25.0 109.99 -179.108 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.95 -44.19 93.58 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.938 -0.477 . . . . 25.0 111.333 177.695 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.46 -32.22 68.07 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.412 -0.915 . . . . 25.0 110.724 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.4 mtm -67.73 -39.71 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.725 -0.472 . . . . 25.0 109.725 176.565 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.4 m -60.18 -40.58 90.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.078 -0.342 . . . . 25.0 110.078 178.457 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.79 -47.47 84.99 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.591 0.71 . . . . 25.0 109.198 178.357 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.29 -43.69 96.05 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.087 -0.961 . . . . 25.0 113.062 -177.81 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.98 -37.16 66.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 C-N-CA 120.391 -0.523 . . . . 25.0 112.296 -179.151 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.28 -42.3 93.29 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.914 -0.314 . . . . 25.0 110.676 178.309 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -67.4 -30.57 70.37 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.744 -0.382 . . . . 25.0 111.471 178.667 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -77.14 -18.21 58.05 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.759 0.314 . . . . 25.0 110.951 177.488 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 101.66 113.54 3.7 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 109.738 -1.345 . . . . 25.0 109.738 -177.218 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -142.27 142.24 32.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.651 -1.241 . . . . 25.0 107.651 -178.369 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 46.57 -135.1 0.89 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.926 -1.034 . . . . 25.0 111.155 178.808 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -117.96 52.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 103.585 -2.746 . . . . 25.0 103.585 172.965 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 29.4 t0 66.92 -65.92 0.2 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.892 2.077 . . . . 25.0 113.702 -179.119 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -129.73 38.51 3.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 122.933 1.349 . . . . 25.0 112.299 -175.368 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -107.57 57.52 0.63 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.01 -1.478 . . . . 25.0 107.01 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.86 154.84 55.39 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 115.601 1.704 . . . . 25.0 115.601 -175.775 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -78.98 0.44 10.02 Favored 'Trans proline' 0 C--N 1.352 0.754 0 N-CA-C 115.524 1.317 . . . . 25.0 115.524 -177.466 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -75.85 64.01 2.7 Favored Glycine 0 C--O 1.222 -0.605 0 CA-C-O 121.197 0.331 . . . . 25.0 112.461 177.151 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . 0.269 95.5 t 49.05 30.48 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 125.857 1.663 . . . . 25.0 112.249 179.271 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 23.0 t -93.49 -157.92 0.58 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.569 -0.742 . . . . 25.0 109.724 177.5 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -61.76 -15.96 49.79 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.979 1.152 . . . . 25.0 115.979 -177.356 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -83.51 10.13 9.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 117.86 0.83 . . . . 25.0 111.597 178.64 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 66.3 m -74.75 161.84 29.25 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.626 1.343 . . . . 25.0 114.626 -178.178 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -64.38 159.48 21.1 Favored 'General case' 0 C--O 1.207 -1.144 0 CA-C-N 114.038 -1.437 . . . . 25.0 109.066 175.05 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -100.66 -68.46 0.81 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.309 0.576 . . . . 25.0 111.181 173.894 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -62.88 -28.89 70.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.517 -0.739 . . . . 25.0 112.503 -178.751 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -62.25 -28.99 71.75 Favored Glycine 0 C--O 1.222 -0.603 0 CA-C-N 115.986 -0.552 . . . . 25.0 112.021 178.717 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 460' ' ' GLN . . . . . 0.41 ' HA ' HD23 ' A' ' 463' ' ' LEU . 92.4 mt-30 -65.42 -36.93 85.42 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 122.182 -0.599 . . . . 25.0 110.563 -179.405 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -63.02 -36.64 84.24 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -178.871 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.53 68.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.602 -0.726 . . . . 25.0 110.71 177.631 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.3 OUTLIER -65.27 -35.06 79.85 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 122.109 -0.37 . . . . 25.0 111.121 -178.987 . . . . . . . . 3 3 . 1 . 041 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -56.04 -38.06 70.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.336 0.588 . . . . 25.0 110.481 175.865 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.06 -44.54 35.67 Favored Glycine 0 C--O 1.22 -0.734 0 N-CA-C 109.373 -1.491 . . . . 25.0 109.373 177.209 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.13 -39.6 66.62 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 122.443 0.297 . . . . 25.0 111.729 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -65.88 -44.23 85.97 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.007 0.432 . . . . 25.0 111.586 178.836 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.23 85.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.147 0.498 . . . . 25.0 110.36 -178.341 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.57 -27.08 27.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.933 -0.307 . . . . 25.0 110.89 -179.223 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.23 -33.06 67.16 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.989 0.359 . . . . 25.0 111.656 -179.199 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.19 93.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 177.627 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.67 -33.69 66.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.704 0.288 . . . . 25.0 110.588 177.479 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.42 ' HA ' HG12 ' A' ' 476' ' ' VAL . 58.7 mm-40 -70.28 -45.71 65.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.021 -0.425 . . . . 25.0 111.634 -179.17 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -64.46 -27.26 68.87 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 178.604 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.55 -52.39 18.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.821 -0.627 . . . . 25.0 110.567 177.021 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -63.76 -36.75 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 118.63 0.65 . . . . 25.0 109.274 -176.646 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.95 -36.04 82.64 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.018 177.873 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.49 90.35 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.22 -179.445 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.68 -35.77 62.29 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 -179.152 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.95 65.34 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.606 0.717 . . . . 25.0 109.743 179.54 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.55 -41.79 23.5 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 177.479 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 43.4 mtm -61.24 -30.17 70.28 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 120.787 0.327 . . . . 25.0 111.074 179.318 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 28.0 p -75.77 -33.97 60.22 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.445 -0.902 . . . . 25.0 110.277 -175.875 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -83.8 -30.32 26.66 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.353 -0.539 . . . . 25.0 111.769 177.278 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.78 -23.87 49.07 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 121.65 -0.656 . . . . 25.0 111.836 179.036 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -65.97 -25.34 72.0 Favored Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.994 -0.622 . . . . 25.0 112.483 178.929 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 44.39 37.62 2.12 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.338 1.236 . . . . 25.0 114.338 176.885 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -75.9 171.92 13.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.891 -0.595 . . . . 25.0 110.612 -178.494 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 150.35 -39.07 0.87 Allowed Glycine 0 C--O 1.224 -0.493 0 CA-C-O 122.051 0.806 . . . . 25.0 112.182 179.292 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.212 -0.905 0 CA-C-O 123.534 1.635 . . . . 25.0 114.67 -179.768 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.551 0 CA-C-O 122.481 1.045 . . . . 25.0 112.418 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 42.6 t -64.43 141.47 58.76 Favored 'General case' 0 C--N 1.34 0.178 0 O-C-N 121.09 -1.241 . . . . 25.0 109.959 178.883 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 33.5 mtp-105 -69.81 -23.93 63.39 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.675 0.62 . . . . 25.0 112.675 -177.62 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 33.6 p -159.86 143.2 14.11 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.244 -1.391 . . . . 25.0 107.244 179.302 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -162.74 168.9 20.82 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 -178.459 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.1 m -126.29 152.3 46.35 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 101.524 -3.51 . . . . 25.0 101.524 173.457 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -33.71 71.17 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.873 1.435 . . . . 25.0 114.873 -171.01 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.1 -37.77 91.89 Favored Glycine 0 C--O 1.226 -0.347 0 C-N-CA 120.115 -1.04 . . . . 25.0 111.592 178.026 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -64.71 -31.83 73.23 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 122.591 0.356 . . . . 25.0 110.813 -178.315 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.77 -27.58 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.846 0.355 . . . . 25.0 110.322 -178.329 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.2 m -67.96 -41.23 82.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.896 -0.503 . . . . 25.0 110.324 179.388 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.78 -34.08 60.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.456 0.646 . . . . 25.0 109.363 178.767 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 48.2 ttm -59.22 -44.22 92.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.633 -0.712 . . . . 25.0 109.26 178.674 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.45 80.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.07 0.462 . . . . 25.0 110.283 -179.725 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.81 -46.27 66.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.422 -0.354 . . . . 25.0 111.262 -178.808 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.61 -37.2 68.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 121.018 -0.273 . . . . 25.0 110.6 -178.859 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.77 -43.2 99.31 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.495 -0.557 . . . . 25.0 109.495 177.207 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.6 91.68 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.182 -0.324 . . . . 25.0 110.577 179.011 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.53 86.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.428 179.919 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.95 -47.08 86.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.468 0.651 . . . . 25.0 109.427 179.738 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.64 -41.61 81.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.546 -0.752 . . . . 25.0 112.348 -179.494 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.72 -37.17 56.5 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.232 -0.987 . . . . 25.0 112.858 178.355 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.4 mtm -64.49 -37.84 88.94 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 118.505 0.593 . . . . 25.0 110.535 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 89.8 m -53.85 -32.38 52.79 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 121.221 0.534 . . . . 25.0 111.345 179.803 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -68.23 -43.99 76.69 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.446 -0.784 . . . . 25.0 111.29 -178.836 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -72.15 -32.83 67.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 179.683 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.11 -40.66 88.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.506 -0.77 . . . . 25.0 109.976 176.256 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 53.2 mt -73.35 -14.84 61.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.996 0.369 . . . . 25.0 111.996 178.662 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -94.15 0.37 55.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.798 0.332 . . . . 25.0 110.393 177.392 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -97.79 101.84 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 -179.249 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -116.41 -165.94 14.28 Favored Glycine 0 CA--C 1.517 0.207 0 CA-C-O 122.007 0.782 . . . . 25.0 114.769 -178.25 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -158.79 171.48 20.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 102.302 -3.221 . . . . 25.0 102.302 179.854 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 54.3 mmm-85 53.14 -127.74 2.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.125 0.57 . . . . 25.0 110.209 -177.354 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.99 27.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -178.94 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -77.51 -30.59 53.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.358 1.075 . . . . 25.0 109.243 -175.802 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -103.42 19.28 20.02 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.061 -1.427 . . . . 25.0 111.057 -178.215 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -100.67 22.41 11.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -174.475 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -70.54 136.83 85.95 Favored Pre-proline 0 C--N 1.321 -0.655 0 C-N-CA 120.546 -0.461 . . . . 25.0 110.33 178.944 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.75 -11.46 16.82 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 N-CA-C 113.754 0.636 . . . . 25.0 113.754 179.493 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 84.3 148.56 9.24 Favored Glycine 0 C--O 1.222 -0.634 0 N-CA-C 111.024 -0.83 . . . . 25.0 111.024 -177.236 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.28 -46.03 39.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 122.168 -0.607 . . . . 25.0 110.672 -179.767 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 51.7 m -156.27 76.97 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -177.19 -152.09 9.64 Favored Glycine 0 C--O 1.224 -0.517 0 C-N-CA 120.564 -0.827 . . . . 25.0 111.333 -177.589 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 61.31 -9.74 0.07 Allowed 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 117.695 2.48 . . . . 25.0 117.695 177.963 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.2 p -71.89 -55.95 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.995 1.109 . . . . 25.0 113.995 -179.38 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 61.66 121.01 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -178.603 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.88 -69.68 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.602 0.715 . . . . 25.0 111.806 178.101 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -64.58 -28.13 69.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.062 0.458 . . . . 25.0 111.18 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -64.08 -33.68 87.9 Favored Glycine 0 C--O 1.224 -0.506 0 N-CA-C 111.694 -0.563 . . . . 25.0 111.694 178.088 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -64.78 -41.18 96.05 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 178.867 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -69.13 -35.09 76.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.211 -0.45 . . . . 25.0 110.099 -178.56 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.81 97.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 177.421 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -35.75 79.2 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.001 -0.437 . . . . 25.0 109.941 179.168 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.35 -31.37 72.51 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.257 -0.902 . . . . 25.0 110.411 176.477 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.64 79.21 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 108.295 -1.922 . . . . 25.0 108.295 175.174 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.47 -40.09 74.3 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 120.736 0.303 . . . . 25.0 111.138 178.121 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -66.03 -41.59 90.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.408 0.623 . . . . 25.0 110.643 178.634 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.09 83.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 25.0 110.64 -178.717 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.4 m -71.22 -27.64 30.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 C-N-CA 120.605 -0.438 . . . . 25.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.24 69.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.297 0.499 . . . . 25.0 110.374 179.45 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.19 83.07 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 176.718 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -75.99 -35.81 59.45 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.714 -0.221 . . . . 25.0 110.782 176.944 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.422 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.0 mm-40 -67.76 -46.32 72.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.911 -0.493 . . . . 25.0 111.822 -179.482 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -63.25 -27.6 69.45 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.165 -0.68 . . . . 25.0 109.165 178.316 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -51.93 16.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.777 177.39 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.0 p -64.12 -38.46 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 118.669 0.668 . . . . 25.0 109.412 -176.044 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -65.51 -34.87 79.28 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.517 -0.31 . . . . 25.0 110.221 178.125 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.76 86.99 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.664 -179.433 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.44 -36.26 60.13 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.563 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 -179.444 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.32 -35.65 72.2 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -179.654 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.4 mt -70.32 -40.35 74.21 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 121.357 0.598 . . . . 25.0 109.451 178.997 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 35.7 mtm -63.72 -23.74 67.49 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.399 -0.52 . . . . 25.0 112.074 179.089 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 81.3 p -82.82 -35.37 26.44 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.642 -0.823 . . . . 25.0 110.664 -178.757 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -78.08 -29.76 49.27 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.323 177.099 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -81.64 -17.6 47.57 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.931 -0.481 . . . . 25.0 111.888 178.013 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 66.3 18.64 67.59 Favored Glycine 0 C--O 1.225 -0.444 0 C-N-CA 121.073 -0.584 . . . . 25.0 112.497 -178.759 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -81.92 -9.31 59.62 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 -174.55 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 50.42 -128.42 2.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 124.11 0.881 . . . . 25.0 110.778 179.274 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 86.44 7.84 78.61 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.177 -0.535 . . . . 25.0 114.414 178.769 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.207 -1.164 0 CA-C-O 124.209 1.957 . . . . 25.0 111.177 177.825 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 122.647 1.137 . . . . 25.0 112.578 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 48.5 t -66.47 144.78 56.28 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 121.467 -1.019 . . . . 25.0 109.764 179.4 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -128.06 65.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.072 -1.084 . . . . 25.0 108.072 -178.91 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 14.8 m 69.51 177.02 0.27 Allowed 'General case' 0 N--CA 1.474 0.727 0 O-C-N 125.052 1.47 . . . . 25.0 110.161 -176.154 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -84.74 153.79 22.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.064 0.459 . . . . 25.0 110.183 -178.841 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.6 m -83.88 145.69 28.48 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 107.121 -1.436 . . . . 25.0 107.121 175.186 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.96 -20.05 61.8 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.755 -0.657 . . . . 25.0 111.12 -176.142 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.04 -34.33 81.29 Favored Glycine 0 C--O 1.213 -1.208 0 N-CA-C 109.94 -1.264 . . . . 25.0 109.94 176.137 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.73 -35.63 81.29 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 -178.86 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.53 -36.15 69.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 178.668 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.4 m -67.92 -39.82 83.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.335 -0.393 . . . . 25.0 110.369 179.354 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -71.0 -33.1 70.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.531 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 3.0 mtm -64.19 -35.8 81.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 178.278 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.23 72.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.935 0.398 . . . . 25.0 109.994 179.301 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.23 -37.5 75.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 177.427 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.29 -45.6 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 177.178 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.83 -43.37 85.78 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 110.247 -0.279 . . . . 25.0 110.247 179.392 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.55 89.73 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.269 -0.269 . . . . 25.0 111.078 179.499 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.03 -41.96 90.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.833 0.349 . . . . 25.0 110.786 179.665 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 430' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 49.5 mt-10 -67.11 -42.96 83.66 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 122.421 1.105 . . . . 25.0 109.994 179.312 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 28.5 mt -58.06 -46.92 84.6 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.35 -1.296 . . . . 25.0 110.32 -179.651 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -73.74 -34.46 64.76 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 179.323 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 433' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 20.5 ptp -66.44 -32.27 73.54 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 118.829 0.74 . . . . 25.0 110.216 -179.594 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 31.3 m -66.98 -33.98 76.76 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.357 -0.537 . . . . 25.0 109.571 -179.185 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -67.93 -41.07 83.16 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 178.387 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -61.0 -45.03 96.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.874 -178.442 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.11 -36.32 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -178.991 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.38 -30.49 70.28 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 179.41 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -92.51 -2.8 55.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.554 0.575 . . . . 25.0 112.554 179.775 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -80.39 34.14 0.31 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.588 0.959 . . . . 25.0 113.588 -178.41 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -160.13 156.54 27.79 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.923 -0.656 . . . . 25.0 112.163 179.408 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -162.25 -177.3 5.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 104.133 -2.543 . . . . 25.0 104.133 -179.028 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -65.39 134.9 54.51 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 177.081 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.92 59.48 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.896 -1.89 . . . . 25.0 105.896 171.772 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 33.7 t0 58.74 -67.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 127.938 2.495 . . . . 25.0 115.501 -177.258 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -130.62 11.76 5.3 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 115.372 1.619 . . . . 25.0 115.372 -172.015 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -85.25 44.94 1.13 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.865 -1.061 . . . . 25.0 110.806 -176.987 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -78.47 157.47 77.48 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 115.155 -0.929 . . . . 25.0 109.914 179.996 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -78.6 2.59 8.0 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 120.569 0.846 . . . . 25.0 114.167 -179.665 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -122.64 -161.26 11.18 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 108.256 -1.938 . . . . 25.0 108.256 179.119 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.72 116.2 24.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 23.3 t -149.84 -59.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 179.452 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -75.82 64.7 2.62 Favored Glycine 0 C--O 1.224 -0.475 0 CA-C-N 116.158 -0.474 . . . . 25.0 113.821 177.726 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -63.29 -29.43 70.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.019 -0.695 . . . . 25.0 111.351 -179.636 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 51.4 p -104.02 11.67 35.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.628 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -61.84 127.85 33.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.754 0.787 . . . . 25.0 111.81 -177.238 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -105.76 -76.65 0.6 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 176.012 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -66.24 -26.28 67.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.267 0.556 . . . . 25.0 110.018 176.463 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.51 -32.52 64.78 Favored Glycine 0 C--O 1.217 -0.968 0 CA-C-N 115.274 -0.875 . . . . 25.0 111.795 177.17 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.93 -42.96 99.19 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 118.177 0.988 . . . . 25.0 110.821 178.724 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -70.98 -34.24 71.21 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.319 -0.552 . . . . 25.0 109.541 -179.31 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.21 94.59 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.716 -0.476 . . . . 25.0 109.716 177.165 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -37.42 86.47 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 122.26 -0.275 . . . . 25.0 110.412 179.703 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -60.24 -36.78 78.54 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.4 -0.812 . . . . 25.0 110.419 176.464 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.29 -44.86 73.09 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 109.076 -1.61 . . . . 25.0 109.076 176.028 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.43 -40.03 64.84 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 123.062 0.545 . . . . 25.0 111.848 -179.472 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -65.4 -43.86 89.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.09 0.471 . . . . 25.0 111.5 179.558 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.82 73.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.194 0.521 . . . . 25.0 110.643 -177.966 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.21 -26.49 29.53 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 CA-C-N 116.312 -0.404 . . . . 25.0 110.795 -178.971 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.7 65.68 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.432 0.56 . . . . 25.0 111.224 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.76 86.97 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.644 -0.502 . . . . 25.0 109.644 177.569 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -34.01 66.92 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 116.696 -0.229 . . . . 25.0 110.81 177.149 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.489 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.0 mm-40 -69.43 -46.51 66.63 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 -179.558 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -63.11 -26.53 68.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 178.366 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.23 -52.25 11.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.445 -0.798 . . . . 25.0 111.661 176.621 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.4 p -62.54 -36.01 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 118.86 0.755 . . . . 25.0 110.119 -175.748 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -62.26 -35.5 79.16 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.168 178.458 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.04 97.74 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.678 -0.409 . . . . 25.0 110.091 -179.843 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.2 -34.11 53.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.28 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.591 0.71 . . . . 25.0 109.452 179.477 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.6 mt -78.99 -43.19 24.93 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 176.627 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.4 mtm -61.81 -27.21 68.6 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 116.488 -0.324 . . . . 25.0 111.606 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 32.6 p -78.69 -35.49 44.99 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.655 -0.818 . . . . 25.0 110.394 -176.811 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -79.77 -30.44 40.69 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.275 -0.57 . . . . 25.0 110.277 176.386 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -70.86 -25.78 62.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 175.791 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -74.77 0.85 55.91 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.059 177.073 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -111.02 28.0 9.14 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 105.532 -2.025 . . . . 25.0 105.532 176.791 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 59.78 32.62 21.45 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.399 -1.273 . . . . 25.0 111.89 -178.511 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -77.79 59.19 3.83 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-O 122.414 1.008 . . . . 25.0 111.983 178.646 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.213 -0.858 0 CA-C-O 123.573 1.654 . . . . 25.0 113.153 -178.275 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 122.803 1.224 . . . . 25.0 112.731 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 98.3 p -152.43 178.88 9.08 Favored 'General case' 0 CA--C 1.521 -0.17 0 O-C-N 121.213 -1.169 . . . . 25.0 108.376 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -127.16 73.0 1.39 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.283 -1.377 . . . . 25.0 107.283 177.322 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 46.0 p -147.9 159.89 43.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 -177.549 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -143.44 163.64 32.54 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 -178.592 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 83.6 p -100.96 162.23 13.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.457 -1.312 . . . . 25.0 107.457 174.449 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.97 -14.2 61.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.883 -0.599 . . . . 25.0 111.329 -176.535 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.99 -41.81 80.33 Favored Glycine 0 C--O 1.216 -0.972 0 N-CA-C 108.614 -1.794 . . . . 25.0 108.614 176.211 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -63.71 -35.27 80.02 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.04 -35.3 63.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.079 0.466 . . . . 25.0 109.936 178.948 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.5 m -67.84 -38.38 83.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.873 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -72.76 -29.6 63.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.562 . . . . 25.0 110.276 178.909 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 48.4 ttm -59.62 -35.64 74.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.598 0.359 . . . . 25.0 111.369 -179.339 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.68 72.3 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.129 0.49 . . . . 25.0 110.792 178.435 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -74.64 -34.97 62.86 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.778 -0.452 . . . . 25.0 109.778 178.64 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.68 -42.05 91.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 178.48 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.82 -44.44 90.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.042 0.449 . . . . 25.0 110.062 178.31 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.19 90.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.851 0.358 . . . . 25.0 110.566 179.177 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.41 94.77 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.525 179.864 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.35 -44.74 96.66 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 121.718 0.771 . . . . 25.0 109.906 179.406 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.96 -46.63 82.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.208 -0.906 . . . . 25.0 111.647 179.528 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.08 -34.46 64.0 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.012 0.824 . . . . 25.0 113.014 177.386 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 63.0 mtm -65.4 -35.93 82.44 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 121.681 -0.637 . . . . 25.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 92.9 m -53.5 -34.05 56.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.333 0.587 . . . . 25.0 110.841 178.941 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -67.93 -42.34 81.18 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.839 -0.538 . . . . 25.0 110.105 -178.255 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -71.13 -37.76 72.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 -179.826 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.94 -36.96 75.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.79 -1.095 . . . . 25.0 111.848 -179.748 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 50.3 mt -68.19 -14.38 62.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 179.143 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -114.72 18.78 16.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.9 0.381 . . . . 25.0 110.093 178.203 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -148.07 -158.44 0.91 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.165 0.507 . . . . 25.0 110.14 -178.59 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 146.43 -175.86 25.65 Favored Glycine 0 C--O 1.226 -0.405 0 N-CA-C 107.257 -2.337 . . . . 25.0 107.257 179.852 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 49.95 64.64 1.69 Allowed 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.797 1.036 . . . . 25.0 113.797 177.851 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -100.97 143.56 30.97 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 176.583 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -162.83 24.92 0.09 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 104.935 -2.246 . . . . 25.0 104.935 178.934 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.88 -25.5 61.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.196 -1.366 . . . . 25.0 110.438 -172.3 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -116.94 11.87 14.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.586 -1.188 . . . . 25.0 107.859 178.68 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 49.84 46.85 23.78 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.403 -1.726 . . . . 25.0 112.604 -174.835 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -52.58 150.68 8.88 Favored Pre-proline 0 C--O 1.246 0.877 0 CA-C-O 121.613 0.721 . . . . 25.0 112.503 179.39 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -73.86 170.39 20.18 Favored 'Trans proline' 0 C--N 1.346 0.446 0 N-CA-C 114.97 1.104 . . . . 25.0 114.97 -175.89 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 178.48 -39.91 0.08 OUTLIER Glycine 0 C--O 1.219 -0.836 0 N-CA-C 110.422 -1.071 . . . . 25.0 110.422 179.46 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.72 -32.29 56.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.992 -0.744 . . . . 25.0 108.992 177.873 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -23.42 63.52 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -179.424 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 171.81 164.46 27.44 Favored Glycine 0 C--O 1.223 -0.562 0 C-N-CA 120.676 -0.773 . . . . 25.0 112.098 -179.152 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -72.6 -3.61 25.83 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -177.821 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.1 m -79.48 65.89 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.008 0.432 . . . . 25.0 111.356 179.972 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -153.63 157.18 39.25 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.56 -2.015 . . . . 25.0 105.56 -179.376 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -105.66 -76.79 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 118.207 0.458 . . . . 25.0 110.099 178.372 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -78.21 -25.15 46.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 179.398 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -52.98 -28.94 33.85 Favored Glycine 0 C--O 1.222 -0.652 0 CA-C-N 115.011 -0.995 . . . . 25.0 113.659 173.834 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 460' ' ' GLN . . . . . 0.458 ' HA ' HD23 ' A' ' 463' ' ' LEU . 76.6 mt-30 -59.47 -35.32 73.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.625 -0.927 . . . . 25.0 110.265 177.014 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -76.18 -34.97 59.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 179.465 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.22 93.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.997 -0.547 . . . . 25.0 109.76 177.733 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.3 OUTLIER -64.84 -35.78 82.2 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.808 -0.442 . . . . 25.0 109.808 179.571 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -60.5 -37.23 80.41 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.769 -0.582 . . . . 25.0 109.579 178.469 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.27 -47.12 46.0 Favored Glycine 0 C--O 1.22 -0.774 0 N-CA-C 109.557 -1.417 . . . . 25.0 109.557 176.559 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.49 63.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -179.631 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -68.76 -43.53 75.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.221 0.534 . . . . 25.0 110.897 178.831 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.53 -44.15 83.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.047 0.451 . . . . 25.0 110.655 -178.131 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.0 m -69.07 -31.4 50.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 120.863 -0.335 . . . . 25.0 110.198 -179.754 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.87 -33.85 67.24 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.211 0.459 . . . . 25.0 111.346 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.6 88.07 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 177.53 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -36.85 67.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.51 0.195 . . . . 25.0 110.624 176.589 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG12 ' A' ' 476' ' ' VAL . 39.4 mm-40 -65.68 -45.66 82.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.952 0.406 . . . . 25.0 111.847 -179.155 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.45 -27.1 68.75 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.801 -0.562 . . . . 25.0 109.492 178.79 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -51.16 17.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.881 -0.599 . . . . 25.0 110.805 177.428 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.8 p -63.03 -36.31 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 118.836 0.743 . . . . 25.0 109.485 -176.15 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -62.49 -36.43 82.49 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.723 -0.671 . . . . 25.0 110.155 178.376 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.4 89.7 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.773 -0.371 . . . . 25.0 110.351 -179.4 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.51 -35.24 60.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 C-N-CA 120.543 -0.463 . . . . 25.0 109.898 -178.874 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.16 -27.82 66.01 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.412 0.625 . . . . 25.0 109.782 179.671 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -78.43 -43.12 28.08 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.259 0.552 . . . . 25.0 110.096 176.486 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.0 mtm -60.8 -26.94 67.66 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.911 -179.055 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.8 p -77.85 -37.67 47.79 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 118.841 -1.144 . . . . 25.0 109.848 -176.145 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -81.65 -23.83 36.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.758 -0.377 . . . . 25.0 111.338 178.625 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -79.77 -37.85 34.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.767 -0.583 . . . . 25.0 110.061 176.097 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -69.67 -42.93 69.88 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 111.836 -0.505 . . . . 25.0 111.836 179.756 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 38.75 45.21 0.9 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.061 1.504 . . . . 25.0 115.061 176.869 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -139.71 -157.3 0.75 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.796 -1.093 . . . . 25.0 109.095 -177.382 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 84.83 39.95 8.43 Favored Glycine 0 C--O 1.226 -0.406 0 CA-C-O 122.166 0.87 . . . . 25.0 112.611 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 116.096 1.888 . . . . 25.0 116.096 -177.786 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.722 0 CA-C-O 124.887 2.382 . . . . 25.0 110.397 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 14.4 t -70.54 -4.32 22.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 112.286 -1.957 . . . . 25.0 113.154 -178.247 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 67.24 171.53 0.26 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.586 1.154 . . . . 25.0 111.226 -178.568 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 8.0 m 59.21 -160.05 0.29 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.46 -0.791 . . . . 25.0 109.591 -176.965 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -159.9 145.4 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.249 -1.389 . . . . 25.0 107.249 177.506 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.6 m -92.79 36.11 1.03 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 123.355 0.662 . . . . 25.0 111.501 -179.37 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 64.41 -47.81 0.31 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.449 2.018 . . . . 25.0 116.449 178.993 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.33 -31.72 81.35 Favored Glycine 0 C--O 1.221 -0.677 0 N-CA-C 109.472 -1.451 . . . . 25.0 109.472 177.453 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.18 -18.48 64.53 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 112.07 0.396 . . . . 25.0 112.07 179.432 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.14 -35.34 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 177.829 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 40.4 m -70.42 -37.56 74.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 177.649 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.39 -34.78 77.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 178.814 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.59 -38.26 86.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.35 75.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.991 0.425 . . . . 25.0 110.064 179.498 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.41 75.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 178.314 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.95 -45.43 91.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.123 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.31 -44.21 95.65 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.039 -0.356 . . . . 25.0 110.039 179.332 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.87 97.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.786 -0.188 . . . . 25.0 110.748 179.444 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.69 98.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.688 -0.233 . . . . 25.0 110.945 -179.666 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.32 -41.58 89.45 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.749 0.785 . . . . 25.0 110.069 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 52.6 mt -62.58 -45.23 93.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.92 -32.71 59.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.545 0.943 . . . . 25.0 113.545 -179.853 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 16.4 ptp -65.08 -35.11 80.12 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 118.725 0.693 . . . . 25.0 110.372 -177.893 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 26.3 m -66.62 -35.59 80.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.359 0.6 . . . . 25.0 109.835 -178.769 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -69.57 -39.05 77.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 178.18 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -63.56 -41.43 98.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.981 -1.009 . . . . 25.0 113.19 -179.4 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 24.5 m -73.97 -33.39 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.5 -41.78 83.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.52 0.193 . . . . 25.0 111.52 179.366 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -83.03 -54.69 4.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.333 0.587 . . . . 25.0 109.986 179.37 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . 50.65 -156.71 0.11 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.643 -1.162 . . . . 25.0 113.45 -179.768 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 165.71 -154.56 25.3 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 108.266 -1.934 . . . . 25.0 108.266 -178.201 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 48.84 47.45 21.31 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 177.269 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -73.24 133.95 44.13 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.026 -1.472 . . . . 25.0 107.026 178.979 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -110.18 29.63 7.49 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.992 0.901 . . . . 25.0 108.668 -177.507 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.93 -32.5 72.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.913 -1.039 . . . . 25.0 112.903 -175.093 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -105.97 48.4 0.84 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.955 0.883 . . . . 25.0 110.705 -176.529 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -118.99 22.39 11.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.911 179.731 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -75.79 151.56 84.59 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.166 -0.614 . . . . 25.0 110.236 -178.761 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.66 43.72 1.54 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 120.939 1.093 . . . . 25.0 112.571 177.732 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -160.29 -135.55 1.86 Allowed Glycine 0 C--N 1.315 -0.587 0 CA-C-N 114.733 -1.121 . . . . 25.0 113.699 -175.854 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.28 -38.3 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 122.94 0.496 . . . . 25.0 111.648 -178.055 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 5.0 t -167.19 37.4 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 -179.003 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 76.12 -80.54 1.1 Allowed Glycine 0 CA--C 1.516 0.13 0 N-CA-C 110.71 -0.956 . . . . 25.0 110.71 -174.835 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -151.0 143.21 24.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 103.89 -2.633 . . . . 25.0 103.89 177.702 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.7 t 64.54 -174.48 0.17 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.779 0.675 . . . . 25.0 109.751 -175.193 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -116.12 112.04 21.12 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 121.19 0.519 . . . . 25.0 109.852 -179.262 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -100.79 -73.4 0.64 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.765 -1.107 . . . . 25.0 110.03 177.635 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -65.2 -28.87 69.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.629 0.728 . . . . 25.0 110.04 178.641 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -55.89 -28.85 53.94 Favored Glycine 0 C--O 1.224 -0.53 0 CA-C-N 115.062 -0.972 . . . . 25.0 113.343 178.027 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 460' ' ' GLN . . . . . 0.451 ' HA ' HD23 ' A' ' 463' ' ' LEU . 83.2 mt-30 -61.39 -36.67 80.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.687 0.743 . . . . 25.0 111.261 179.479 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -76.28 -34.52 59.1 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 -178.049 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.34 83.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.868 -0.606 . . . . 25.0 110.984 177.956 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.3 OUTLIER -63.83 -33.46 75.74 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 122.079 -0.388 . . . . 25.0 110.092 -179.833 . . . . . . . . 3 3 . 1 . 045 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -62.98 -34.34 77.33 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.322 -0.551 . . . . 25.0 110.12 178.062 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.12 -45.27 62.75 Favored Glycine 0 C--O 1.221 -0.7 0 N-CA-C 108.422 -1.871 . . . . 25.0 108.422 175.814 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.98 67.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.398 0.279 . . . . 25.0 111.646 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.43 -46.06 84.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.135 0.493 . . . . 25.0 111.072 178.425 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.67 -44.69 81.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.34 -0.391 . . . . 25.0 110.994 -177.819 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.1 m -69.47 -28.47 38.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.902 0 C-N-CA 120.658 -0.417 . . . . 25.0 110.63 -178.885 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.7 68.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.487 0.585 . . . . 25.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.49 87.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 177.742 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -35.88 67.58 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.705 -0.225 . . . . 25.0 110.777 177.337 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.41 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.5 mm-40 -66.75 -46.54 75.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.933 -0.479 . . . . 25.0 111.781 -179.912 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -64.73 -27.15 68.71 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.096 -0.641 . . . . 25.0 109.517 178.737 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -51.57 20.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.997 176.552 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -62.75 -35.04 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 118.855 0.752 . . . . 25.0 109.808 -176.327 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -62.42 -34.98 77.82 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.664 178.096 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.39 98.78 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.843 -0.343 . . . . 25.0 110.31 179.195 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.91 -34.66 56.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.99 64.1 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.521 0.677 . . . . 25.0 110.053 179.394 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.49 -42.96 33.8 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 121.317 0.579 . . . . 25.0 109.658 176.001 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.6 mtm -62.1 -28.09 69.38 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.129 -0.357 . . . . 25.0 110.991 -179.549 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.9 p -78.7 -15.27 58.68 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.233 -0.587 . . . . 25.0 112.214 -176.426 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -107.69 -26.41 10.85 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.686 0.254 . . . . 25.0 111.686 176.481 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -84.08 -28.99 27.17 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 121.812 -0.555 . . . . 25.0 112.116 177.349 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -66.2 -31.63 79.76 Favored Glycine 0 C--O 1.225 -0.467 0 C-N-CA 121.078 -0.582 . . . . 25.0 114.103 -178.167 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 46.96 29.38 1.02 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.392 1.627 . . . . 25.0 115.392 176.828 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -85.95 167.42 15.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 97.69 -6.7 62.86 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 121.377 -0.439 . . . . 25.0 114.023 177.752 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.208 -1.106 0 CA-C-O 123.811 1.767 . . . . 25.0 111.868 179.019 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.446 0 CA-C-O 122.537 1.076 . . . . 25.0 112.285 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 17.2 m -69.66 144.11 53.0 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.213 -1.169 . . . . 25.0 109.414 179.314 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -67.84 -24.55 65.28 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 110.857 -0.053 . . . . 25.0 110.857 179.678 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 4.7 t 65.24 -179.65 0.19 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.227 0.954 . . . . 25.0 110.237 -177.073 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -165.19 157.78 15.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 416' ' ' SER . . . . . 0.579 ' H ' ' HG3' ' A' ' 419' ' ' GLU . 16.0 m -103.11 41.07 1.29 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 122.868 0.467 . . . . 25.0 110.583 177.462 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 62.59 -54.96 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 116.861 2.171 . . . . 25.0 116.861 177.963 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.84 -26.23 73.94 Favored Glycine 0 C--O 1.221 -0.707 0 N-CA-C 108.476 -1.85 . . . . 25.0 108.476 177.007 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 419' ' ' GLU . . . . . 0.579 ' HG3' ' H ' ' A' ' 416' ' ' SER . 5.2 mm-40 -63.01 -26.41 68.84 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 114.503 -0.849 . . . . 25.0 110.88 178.678 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.73 -30.86 49.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 -177.746 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.9 m -66.0 -39.44 90.3 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.954 -0.466 . . . . 25.0 110.433 178.649 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -72.84 -37.39 67.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.699 0.761 . . . . 25.0 109.248 179.4 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 30.3 ttm -63.21 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.732 -0.667 . . . . 25.0 109.384 -178.733 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.97 74.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.555 . . . . 25.0 109.878 178.815 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.42 75.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 178.977 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.52 -45.79 91.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.292 0.567 . . . . 25.0 109.514 178.047 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.65 -42.24 96.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 179.019 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.33 87.05 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.163 -0.31 . . . . 25.0 110.163 178.59 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.26 92.79 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.966 0.412 . . . . 25.0 110.098 179.612 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -64.12 -44.49 92.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.48 0.657 . . . . 25.0 109.302 179.438 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.77 -42.7 99.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.76 -0.655 . . . . 25.0 111.613 -179.878 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -73.72 -32.04 63.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 119.155 -1.018 . . . . 25.0 112.389 -178.625 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 61.8 mtm -69.11 -35.47 76.46 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.017 0.371 . . . . 25.0 110.381 176.794 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.4 m -54.17 -30.12 48.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.56 0.695 . . . . 25.0 110.706 178.542 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -63.58 -41.66 98.35 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.9 -0.5 . . . . 25.0 111.889 -179.275 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -74.64 -37.29 62.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.311 0.577 . . . . 25.0 109.57 178.465 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.38 -40.48 81.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.636 178.805 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 42.3 mt -66.21 -19.81 65.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 178.675 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.46 3.54 50.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.858 0.361 . . . . 25.0 111.895 179.82 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -104.4 165.93 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.967 0.413 . . . . 25.0 110.492 -178.097 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -69.29 145.28 42.38 Favored Glycine 0 C--O 1.229 -0.158 0 N-CA-C 108.542 -1.823 . . . . 25.0 108.542 176.399 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -140.93 -169.75 2.89 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.739 0.781 . . . . 25.0 110.258 -177.623 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -91.65 161.56 14.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.499 -1.228 . . . . 25.0 111.525 -177.284 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -105.02 34.72 3.07 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 106.873 -1.529 . . . . 25.0 106.873 176.851 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 3.5 t0 66.47 -42.61 0.4 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.639 1.976 . . . . 25.0 115.164 -177.089 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -81.36 57.27 3.18 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 123.637 1.684 . . . . 25.0 108.689 178.339 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -115.41 51.04 0.95 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 113.239 -1.8 . . . . 25.0 108.405 175.744 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -95.46 162.04 25.83 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 -179.675 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.63 163.14 38.13 Favored 'Trans proline' 0 C--O 1.217 -0.567 0 CA-C-O 121.594 0.581 . . . . 25.0 113.278 -179.597 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -73.83 -3.59 64.17 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 115.539 0.976 . . . . 25.0 115.539 -176.48 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.26 116.8 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 176.608 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 6.0 t 60.64 -175.96 0.11 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.967 -1.015 . . . . 25.0 110.537 -176.105 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -103.84 175.52 23.3 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.571 -1.011 . . . . 25.0 110.571 179.862 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -59.31 143.26 49.91 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 116.984 0.392 . . . . 25.0 110.131 178.415 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.9 m -132.59 144.97 50.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.989 0.423 . . . . 25.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -96.37 147.62 23.62 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 178.218 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -110.23 -79.24 0.58 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -178.94 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -63.35 -29.24 70.58 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -179.848 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.54 84.48 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.495 -0.642 . . . . 25.0 111.495 177.774 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -68.22 -40.2 82.16 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.374 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -63.04 -37.24 86.39 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.322 -0.551 . . . . 25.0 110.238 -178.917 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.67 -46.16 80.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.391 -0.368 . . . . 25.0 110.24 178.289 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -37.22 86.9 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 120.998 -0.281 . . . . 25.0 110.435 -179.831 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -63.69 -32.27 73.71 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.866 -0.521 . . . . 25.0 110.967 178.155 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -64.63 -46.58 89.6 Favored Glycine 0 C--O 1.219 -0.84 0 N-CA-C 107.703 -2.159 . . . . 25.0 107.703 175.741 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.84 71.11 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 120.693 0.283 . . . . 25.0 111.679 178.677 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -66.63 -43.53 84.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.294 0.569 . . . . 25.0 110.989 178.44 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.33 83.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.257 -0.429 . . . . 25.0 110.672 -178.505 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.85 -27.1 31.86 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 CA-C-O 119.049 -0.5 . . . . 25.0 110.531 -179.656 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.79 74.26 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.732 0.696 . . . . 25.0 110.396 179.449 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.44 87.25 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 178.186 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.8 -32.09 65.3 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.033 -0.53 . . . . 25.0 110.809 178.019 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -69.9 -44.68 69.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.195 -0.316 . . . . 25.0 110.936 -179.666 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -65.99 -27.41 68.12 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.041 -0.664 . . . . 25.0 109.804 177.547 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -50.6 31.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.459 176.956 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.86 -36.63 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.854 -0.738 . . . . 25.0 109.787 -178.521 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -63.94 -35.31 80.25 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.69 177.156 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 478' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 481' ' ' LEU . . . -59.96 -42.61 94.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.928 -0.482 . . . . 25.0 110.592 179.487 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.96 -34.97 52.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -179.49 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.56 -25.59 64.67 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.594 0.711 . . . . 25.0 109.943 178.479 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 481' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 478' ' ' ALA . 15.2 mt -78.08 -41.19 36.13 Favored 'General case' 0 C--O 1.21 -1.005 0 O-C-N 121.734 -0.604 . . . . 25.0 109.538 176.244 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.0 mtm -63.81 -30.04 71.17 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.413 -0.515 . . . . 25.0 111.069 -179.836 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 44.4 p -75.72 -36.94 59.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.113 -0.635 . . . . 25.0 110.412 -177.465 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -79.82 -26.55 40.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.193 -0.603 . . . . 25.0 111.388 176.852 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.11 -29.38 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.68 -0.638 . . . . 25.0 110.789 176.449 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -71.24 -18.97 77.09 Favored Glycine 0 C--O 1.225 -0.455 0 C-N-CA 120.669 -0.776 . . . . 25.0 111.59 177.626 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 49.77 31.65 4.64 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 114.266 1.21 . . . . 25.0 114.266 177.325 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.1 78.64 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 121.144 0.497 . . . . 25.0 111.314 -179.592 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -92.04 31.96 5.67 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 116.074 -0.512 . . . . 25.0 112.842 178.521 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.207 -1.171 0 CA-C-O 123.311 1.529 . . . . 25.0 113.094 -178.126 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.038 0 CA-C-O 124.04 1.911 . . . . 25.0 110.984 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 44.9 p 62.27 -177.17 0.13 Allowed 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 111.551 -2.324 . . . . 25.0 112.075 -178.729 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -153.45 146.65 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.687 -1.597 . . . . 25.0 106.687 -179.726 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 48.8 m -77.46 146.77 36.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 105.821 -1.918 . . . . 25.0 105.821 174.46 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -73.39 -23.63 60.2 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.749 -179.943 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.3 m 46.25 121.23 0.0 OUTLIER 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 120.026 3.343 . . . . 25.0 120.026 176.545 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.28 -32.09 68.09 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.618 -1.174 . . . . 25.0 112.353 -178.091 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.53 -42.18 64.3 Favored Glycine 0 C--O 1.216 -0.979 0 C-N-CA 120.383 -0.913 . . . . 25.0 110.915 177.208 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.93 -31.86 71.91 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 122.541 -0.387 . . . . 25.0 110.118 -179.28 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.22 -33.87 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 175.284 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 40.3 m -69.4 -38.59 78.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.664 -0.647 . . . . 25.0 110.289 179.035 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -71.91 -33.2 68.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.004 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.8 mtp -61.96 -44.85 95.9 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 178.587 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.54 -35.77 80.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.122 0.487 . . . . 25.0 110.562 -177.534 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.08 62.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.115 -0.493 . . . . 25.0 111.528 -179.868 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.5 p -70.97 -36.2 62.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 121.02 -0.272 . . . . 25.0 111.155 -177.333 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -59.46 -47.27 86.14 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 177.095 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.1 94.62 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.054 -0.404 . . . . 25.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.72 75.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.083 -0.508 . . . . 25.0 111.738 -179.3 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.38 -31.17 68.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.434 -0.791 . . . . 25.0 110.301 -178.394 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 30.4 mt -62.68 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.577 -0.449 . . . . 25.0 110.145 178.255 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.67 -35.51 65.22 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.965 -0.694 . . . . 25.0 111.767 178.105 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 65.5 mtm -66.28 -32.3 73.63 Favored 'General case' 0 CA--C 1.514 -0.408 0 O-C-N 122.0 -0.437 . . . . 25.0 110.46 178.777 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.8 m -59.86 -36.8 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 176.905 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -66.98 -43.95 81.69 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.969 -1.123 . . . . 25.0 107.969 179.231 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.67 -45.08 95.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -177.702 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.64 -39.75 78.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.127 0.418 . . . . 25.0 112.127 -178.642 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.4 mt -66.37 -35.16 79.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.146 -0.346 . . . . 25.0 111.267 179.463 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -73.86 -26.75 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.84 -0.344 . . . . 25.0 110.469 178.551 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.11 -40.47 52.83 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.75 -0.204 . . . . 25.0 111.324 179.46 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 138.4 -143.01 13.72 Favored Glycine 0 C--O 1.226 -0.381 0 C-N-CA 121.101 -0.571 . . . . 25.0 113.016 179.862 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -153.4 176.05 12.45 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 104.437 -2.431 . . . . 25.0 104.437 179.452 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 24.4 ptt-85 -64.0 154.73 33.28 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.258 -0.883 . . . . 25.0 109.492 178.089 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 20.9 pm0 -81.56 8.54 9.41 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 121.694 0.759 . . . . 25.0 112.16 177.735 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 11.7 t0 63.04 -40.63 0.18 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 128.064 2.546 . . . . 25.0 113.897 -172.08 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -74.48 42.23 0.16 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.716 1.206 . . . . 25.0 109.851 171.268 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -104.74 19.27 20.76 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.651 0.78 . . . . 25.0 111.207 179.939 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.12 144.94 98.64 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.525 -0.762 . . . . 25.0 112.197 -178.505 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -78.48 168.25 21.66 Favored 'Trans proline' 0 C--O 1.221 -0.373 0 CA-C-O 121.414 0.506 . . . . 25.0 111.706 177.8 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 150.29 -38.89 0.88 Allowed Glycine 0 CA--C 1.508 -0.367 0 C-N-CA 120.912 -0.661 . . . . 25.0 111.992 179.19 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 47.4 t -64.35 127.11 24.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.552 -1.277 . . . . 25.0 107.552 177.965 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 9.1 m -62.28 146.09 51.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.654 -178.376 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -91.63 -152.9 29.05 Favored Glycine 0 C--O 1.226 -0.374 0 CA-C-N 116.23 -0.441 . . . . 25.0 112.146 179.032 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 58.1 -109.94 0.49 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.905 0.882 . . . . 25.0 112.001 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.7 m -78.97 76.14 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.022 0.439 . . . . 25.0 110.56 -179.107 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -147.79 169.97 18.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.217 -0.447 . . . . 25.0 111.439 -175.864 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -100.16 -76.32 0.55 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 174.46 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -62.13 -29.69 70.51 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.944 0.878 . . . . 25.0 110.224 177.353 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -55.19 -28.93 51.2 Favored Glycine 0 C--O 1.213 -1.199 0 CA-C-N 114.416 -1.266 . . . . 25.0 113.955 177.664 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -59.18 -35.82 74.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 117.856 0.828 . . . . 25.0 110.905 179.001 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -70.27 -33.36 71.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.511 0.672 . . . . 25.0 109.222 179.358 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.04 -43.87 64.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 179.377 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -36.69 79.76 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.44 -178.704 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -65.9 -29.21 69.6 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.389 -0.924 . . . . 25.0 110.627 179.83 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.79 -44.04 40.02 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 107.878 -2.089 . . . . 25.0 107.878 174.444 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.35 64.62 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 122.756 0.423 . . . . 25.0 111.759 179.689 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -66.63 -41.9 87.59 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 178.482 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.84 -46.44 68.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 25.0 110.355 -178.176 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -65.69 -30.72 50.99 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 179.775 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.27 -27.42 55.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 179.88 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.14 93.32 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 176.843 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.86 65.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.91 0.386 . . . . 25.0 110.577 175.829 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.445 ' HA ' HG12 ' A' ' 476' ' ' VAL . 61.9 mm-40 -72.12 -45.78 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.464 0.649 . . . . 25.0 111.788 -176.378 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -63.64 -27.96 69.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 178.006 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.51 -52.86 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.069 -0.514 . . . . 25.0 110.56 177.414 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.9 p -62.1 -35.72 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 121.442 0.639 . . . . 25.0 109.588 -176.53 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -62.71 -37.06 85.03 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.804 -0.634 . . . . 25.0 110.657 178.216 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.64 91.12 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.897 -0.321 . . . . 25.0 110.358 -179.658 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.45 -34.19 47.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 C-N-CA 120.428 -0.509 . . . . 25.0 109.865 -179.87 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.54 -27.2 67.46 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.387 0.613 . . . . 25.0 109.941 -179.922 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.33 -41.55 48.01 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 177.368 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.2 mtm -63.84 -27.41 69.15 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.801 -0.636 . . . . 25.0 111.932 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.1 p -82.31 -34.35 28.65 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.519 -0.872 . . . . 25.0 109.903 -176.448 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -78.88 -26.47 43.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.141 -0.624 . . . . 25.0 110.432 177.096 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -83.0 -12.15 57.52 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.831 -0.543 . . . . 25.0 111.744 176.21 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 63.46 24.86 68.08 Favored Glycine 0 C--O 1.227 -0.29 0 N-CA-C 110.509 -1.036 . . . . 25.0 110.509 -177.536 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 46.66 28.67 0.82 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.095 1.358 . . . . 25.0 113.861 -173.403 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -72.95 147.92 44.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 178.491 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -85.61 9.88 66.54 Favored Glycine 0 C--O 1.226 -0.369 0 CA-C-O 121.913 0.73 . . . . 25.0 112.428 179.473 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.209 -1.057 0 CA-C-O 123.682 1.706 . . . . 25.0 110.1 -179.605 . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 123.506 1.614 . . . . 25.0 112.907 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 69.7 p -82.91 29.3 0.47 Allowed 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.622 -1.517 . . . . 25.0 113.518 -176.458 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -38.96 89.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 122.17 -0.331 . . . . 25.0 110.701 -178.843 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 19.9 p 59.39 -178.88 0.09 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.326 1.05 . . . . 25.0 111.597 -176.83 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -161.91 157.45 23.87 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.936 -0.765 . . . . 25.0 108.936 179.476 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -120.53 46.65 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 177.83 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 63.8 -55.91 0.22 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 116.598 2.073 . . . . 25.0 116.598 178.56 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.03 -33.73 88.02 Favored Glycine 0 C--O 1.221 -0.675 0 N-CA-C 108.107 -1.997 . . . . 25.0 108.107 176.926 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -53.15 -34.84 58.6 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.403 -0.898 . . . . 25.0 112.042 176.823 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.62 -38.2 75.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 121.966 -0.459 . . . . 25.0 109.84 -179.313 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 90.8 p -74.45 -33.6 62.96 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.89 -0.506 . . . . 25.0 111.402 -179.159 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -69.96 -33.98 72.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.445 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 56.4 ttp -71.42 -34.44 70.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.676 . . . . 25.0 109.818 -178.911 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.69 73.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 178.051 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.2 80.35 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 177.381 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.08 -44.42 91.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 177.828 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -58.29 -43.77 88.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.935 0.398 . . . . 25.0 110.197 179.017 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.6 91.62 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.775 0.321 . . . . 25.0 110.906 179.06 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.15 86.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.461 -0.336 . . . . 25.0 110.637 179.413 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.27 -42.18 99.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.32 0.581 . . . . 25.0 109.452 179.462 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 46.8 mt -60.19 -44.17 95.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.911 -0.586 . . . . 25.0 111.196 179.426 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -74.26 -34.57 63.64 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.331 -0.948 . . . . 25.0 113.018 178.644 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.0 mtm -62.62 -37.58 86.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 178.151 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 54.9 m -59.97 -38.79 83.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.762 0.315 . . . . 25.0 110.719 177.944 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -64.75 -48.32 74.99 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 179.394 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -46.22 89.14 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.741 -1.118 . . . . 25.0 113.016 -177.993 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 30.7 m -67.47 -35.65 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 120.53 -0.468 . . . . 25.0 112.177 -179.546 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.1 -36.78 80.34 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.17 -0.331 . . . . 25.0 111.11 178.134 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -69.07 -36.87 78.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.652 0.263 . . . . 25.0 111.115 178.605 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -79.66 -15.38 57.68 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.89 0.376 . . . . 25.0 111.76 179.44 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -88.94 174.16 42.15 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-O 122.334 0.964 . . . . 25.0 114.929 -176.762 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -140.95 146.16 36.99 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 179.447 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.34 138.57 40.56 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 -179.284 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -123.29 44.02 2.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.325 0.584 . . . . 25.0 109.757 -177.549 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.39 -32.93 74.5 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.837 -179.433 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -142.49 75.98 1.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.025 0.917 . . . . 25.0 108.702 179.714 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -126.53 46.74 2.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.083 -0.962 . . . . 25.0 109.486 -178.137 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -69.36 152.47 96.47 Favored Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 120.778 -0.369 . . . . 25.0 110.623 -179.559 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -79.21 1.85 8.82 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 113.309 0.465 . . . . 25.0 113.309 -179.7 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 82.72 -37.5 2.65 Favored Glycine 0 C--O 1.228 -0.261 0 CA-C-O 121.267 0.371 . . . . 25.0 113.208 -179.832 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 56.3 t -124.78 117.57 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.838 0.351 . . . . 25.0 110.407 -179.818 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 10.0 m 57.28 -152.19 0.4 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 177.228 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 90.04 -167.41 33.11 Favored Glycine 0 C--O 1.224 -0.477 0 N-CA-C 108.961 -1.655 . . . . 25.0 108.961 -177.035 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -101.61 18.65 19.75 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 178.517 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 31.6 m -88.3 169.04 12.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.23 -0.895 . . . . 25.0 112.529 -176.138 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -159.68 159.17 32.67 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 104.99 -2.226 . . . . 25.0 104.99 -179.189 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.29 -76.76 0.6 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 173.494 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -63.04 -26.92 69.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.623 -0.673 . . . . 25.0 112.19 -177.057 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.79 -33.74 88.05 Favored Glycine 0 C--O 1.225 -0.42 0 C-N-CA 120.979 -0.629 . . . . 25.0 111.674 178.63 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.44 -49.56 66.31 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 179.444 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -64.58 -33.84 76.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.288 -0.869 . . . . 25.0 110.076 -175.591 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.2 91.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.435 . . . . 25.0 110.314 175.62 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -33.67 74.31 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 122.004 -0.435 . . . . 25.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -60.75 -35.8 77.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.682 -0.636 . . . . 25.0 109.735 176.11 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.06 -43.66 71.22 Favored Glycine 0 C--O 1.223 -0.584 0 N-CA-C 108.973 -1.651 . . . . 25.0 108.973 175.465 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.34 -39.3 66.97 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 122.681 0.392 . . . . 25.0 111.622 179.706 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -65.2 -44.19 89.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.02 0.438 . . . . 25.0 111.392 178.479 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.77 80.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.232 0.539 . . . . 25.0 110.664 -178.209 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.97 -26.61 30.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.797 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.78 -179.163 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.63 -33.95 66.8 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.137 0.426 . . . . 25.0 111.319 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.14 89.97 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 177.576 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.59 -32.18 65.78 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.703 -0.226 . . . . 25.0 110.771 176.895 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.486 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.0 mm-40 -71.33 -45.53 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.989 -0.445 . . . . 25.0 112.144 -178.525 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.36 -27.08 68.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 178.243 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.27 -52.76 9.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.572 178.122 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.4 p -62.95 -37.06 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 118.57 0.623 . . . . 25.0 110.157 -175.406 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -63.23 -35.85 81.71 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.139 178.465 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.32 -44.74 96.69 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.407 -0.517 . . . . 25.0 109.937 -179.065 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.48 -35.29 61.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.001 -179.068 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.08 62.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.365 0.602 . . . . 25.0 109.601 179.484 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.39 -43.31 19.18 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 121.091 0.472 . . . . 25.0 109.773 177.298 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.3 mtm -60.72 -28.97 69.06 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.935 0.398 . . . . 25.0 111.501 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 25.4 p -77.64 -17.15 58.03 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.231 -0.587 . . . . 25.0 112.266 -175.404 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -103.98 -33.7 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.539 -0.301 . . . . 25.0 110.319 175.999 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -69.37 -36.0 76.38 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.814 -0.554 . . . . 25.0 110.162 177.85 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -75.53 0.45 60.54 Favored Glycine 0 C--O 1.227 -0.33 0 C-N-CA 121.076 -0.583 . . . . 25.0 112.916 178.999 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -136.29 26.76 3.18 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 178.746 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -73.17 131.21 41.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.096 -177.821 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -118.42 33.5 4.8 Favored Glycine 0 C--O 1.227 -0.329 0 N-CA-C 110.359 -1.097 . . . . 25.0 110.359 178.569 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--O 1.211 -0.925 0 CA-C-O 123.453 1.596 . . . . 25.0 112.223 -178.027 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' 411' ' ' GLY . . . . . 0.599 ' N ' ' HG ' ' A' ' 414' ' ' SER . . . . . . . . 0 N--CA 1.492 2.425 0 CA-C-O 123.467 1.593 . . . . 25.0 113.067 . . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 36.6 t -69.87 136.17 50.4 Favored 'General case' 0 C--N 1.334 -0.105 0 O-C-N 120.626 -1.514 . . . . 25.0 108.564 179.196 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.6 21.24 9.83 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 179.319 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 414' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' A' ' 411' ' ' GLY . 47.9 m -81.74 51.94 1.81 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 179.156 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -156.68 163.14 39.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.157 0.503 . . . . 25.0 110.719 -179.131 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.7 m -106.08 151.24 24.93 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.428 -1.693 . . . . 25.0 106.428 175.841 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.07 -27.81 68.37 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.905 -0.589 . . . . 25.0 112.313 -174.624 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.25 -34.19 87.33 Favored Glycine 0 C--O 1.217 -0.959 0 C-N-CA 120.337 -0.935 . . . . 25.0 111.267 177.36 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.18 -27.48 68.04 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 -179.5 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.86 -33.19 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 178.902 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.3 m -70.66 -37.87 73.74 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 177.18 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -68.01 -33.86 75.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.416 -0.586 . . . . 25.0 109.416 178.471 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 40.8 ttm -61.12 -42.92 99.42 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.725 -0.671 . . . . 25.0 109.942 179.25 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.02 77.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.341 0.591 . . . . 25.0 110.521 -178.537 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.31 -46.75 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.063 -0.517 . . . . 25.0 111.154 -179.213 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.4 p -71.01 -36.09 61.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.241 -177.188 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -54.82 -43.28 72.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.901 0.382 . . . . 25.0 111.117 177.888 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.22 90.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.029 0.442 . . . . 25.0 110.607 179.354 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.33 -41.21 73.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.573 179.42 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -60.27 -40.47 90.48 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.267 0.556 . . . . 25.0 109.808 -179.5 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.23 -47.12 87.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.257 179.951 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.74 -32.2 63.74 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.258 -0.977 . . . . 25.0 112.572 178.983 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 72.3 mtm -66.62 -37.69 85.38 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.962 -0.461 . . . . 25.0 109.808 178.408 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 79.0 m -58.03 -37.52 74.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.259 0.552 . . . . 25.0 110.554 178.281 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -65.58 -45.46 83.17 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.952 0.882 . . . . 25.0 109.089 178.59 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -65.19 -43.19 92.42 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.679 1.363 . . . . 25.0 114.679 -178.032 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 16.1 m -67.35 -28.31 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 112.743 0.646 . . . . 25.0 112.743 -178.438 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.06 -8.61 56.53 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.011 -0.541 . . . . 25.0 111.98 177.46 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -109.88 -1.41 17.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.911 0.386 . . . . 25.0 110.213 177.999 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -89.58 170.49 10.44 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -179.301 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -61.52 -34.6 88.98 Favored Glycine 0 N--CA 1.462 0.38 0 N-CA-C 111.615 -0.594 . . . . 25.0 111.615 178.798 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -158.88 163.93 36.15 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 102.975 -2.972 . . . . 25.0 102.975 173.584 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -82.07 -37.9 25.7 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 115.399 1.629 . . . . 25.0 115.399 -174.568 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 57.89 34.47 24.38 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.468 0.707 . . . . 25.0 112.034 179.392 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -59.8 -35.6 75.02 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 116.066 1.876 . . . . 25.0 116.066 -174.682 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -122.45 24.35 9.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 114.854 1.428 . . . . 25.0 114.854 -169.78 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -112.09 48.77 0.95 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.046 0.388 . . . . 25.0 112.046 -176.205 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.38 146.93 96.89 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 120.39 -0.524 . . . . 25.0 109.646 178.505 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -85.12 54.06 3.78 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 121.359 1.373 . . . . 25.0 112.879 176.821 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -155.67 -176.8 28.24 Favored Glycine 0 N--CA 1.432 -1.571 0 N-CA-C 109.279 -1.528 . . . . 25.0 109.279 -177.999 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 5.2 p -104.23 0.55 10.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 113.054 -1.573 . . . . 25.0 108.989 -177.908 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.0 25.29 2.19 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 116.586 2.069 . . . . 25.0 116.586 179.137 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -175.12 -178.13 44.74 Favored Glycine 0 C--O 1.227 -0.307 0 N-CA-C 118.329 2.092 . . . . 25.0 118.329 -178.66 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 67.47 157.48 0.13 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.984 1.714 . . . . 25.0 113.85 -179.202 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.2 t 46.83 42.78 12.47 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.663 0.986 . . . . 25.0 113.663 178.814 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -145.98 160.9 41.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -174.39 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -99.98 -73.95 0.62 Allowed 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 173.703 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -61.07 -31.73 71.39 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.741 0.781 . . . . 25.0 111.318 176.718 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -53.18 -28.91 35.42 Favored Glycine 0 C--O 1.212 -1.237 0 CA-C-N 114.921 -1.036 . . . . 25.0 113.873 176.41 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -57.49 -31.6 66.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.771 -0.84 . . . . 25.0 111.571 179.54 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -69.04 -32.72 72.42 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 178.692 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.3 -47.98 45.78 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 178.949 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -35.74 81.99 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 120.746 -0.381 . . . . 25.0 111.648 -177.304 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.17 -27.86 65.9 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.874 -0.73 . . . . 25.0 110.503 178.106 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.15 -40.81 61.15 Favored Glycine 0 C--O 1.221 -0.709 0 N-CA-C 108.112 -1.995 . . . . 25.0 108.112 174.302 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.87 -31.87 51.24 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.207 0.527 . . . . 25.0 111.747 178.34 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -76.36 -38.46 55.78 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.872 -0.518 . . . . 25.0 111.295 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.48 75.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -178.872 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.1 m -67.43 -31.53 53.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 179.573 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.19 -28.46 64.82 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 122.071 -0.393 . . . . 25.0 111.679 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.07 88.94 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 177.04 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.64 -39.16 67.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.087 -0.338 . . . . 25.0 110.087 176.404 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG12 ' A' ' 476' ' ' VAL . 35.3 mm-40 -64.15 -45.97 86.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -179.314 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.79 -27.17 68.71 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.476 -0.765 . . . . 25.0 109.756 178.888 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -51.57 17.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.379 177.39 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 476' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.3 p -62.67 -36.62 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 118.832 0.742 . . . . 25.0 109.181 -176.41 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -62.46 -36.52 82.72 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.704 -0.68 . . . . 25.0 110.09 178.706 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.82 91.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.504 -179.65 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.2 -33.25 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.446 -0.502 . . . . 25.0 109.894 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.71 67.76 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 179.134 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.37 -44.16 37.55 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.389 0.614 . . . . 25.0 109.958 177.448 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.8 mtm -62.21 -26.58 68.44 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 116.136 -0.484 . . . . 25.0 111.681 -179.388 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 21.6 p -81.96 -34.3 29.82 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 119.217 -0.993 . . . . 25.0 109.813 -176.198 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -78.55 -31.89 47.64 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.906 -0.718 . . . . 25.0 110.246 176.665 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -71.42 -31.11 66.85 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 176.542 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -82.6 8.92 60.55 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-O 119.473 -0.626 . . . . 25.0 112.427 177.063 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 48.46 33.92 4.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.001 1.721 . . . . 25.0 111.309 178.408 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 54.44 26.81 7.47 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 113.109 -1.859 . . . . 25.0 113.948 176.656 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -82.51 57.84 5.01 Favored Glycine 0 C--O 1.227 -0.306 0 N-CA-C 111.953 -0.459 . . . . 25.0 111.953 179.452 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.208 -1.119 0 CA-C-O 125.104 2.383 . . . . 25.0 112.822 -178.16 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 CA-C-O 122.629 1.127 . . . . 25.0 112.633 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 20.1 m -63.87 141.8 58.63 Favored 'General case' 0 C--O 1.226 -0.141 0 O-C-N 121.433 -1.039 . . . . 25.0 110.402 179.387 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -126.85 -11.57 6.01 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 121.081 0.467 . . . . 25.0 111.081 177.503 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 16.4 m -75.08 -21.65 58.83 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 109.53 -0.545 . . . . 25.0 109.53 177.458 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -160.8 150.93 17.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 105.645 -1.983 . . . . 25.0 105.645 178.083 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 12.8 t -100.11 41.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.527 0.679 . . . . 25.0 111.49 179.361 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 63.25 -48.88 0.22 Allowed 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 118.718 2.858 . . . . 25.0 118.718 175.797 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.53 -30.69 76.89 Favored Glycine 0 C--O 1.226 -0.35 0 N-CA-C 109.305 -1.518 . . . . 25.0 109.305 178.223 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -66.78 -20.34 65.93 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 114.361 -0.92 . . . . 25.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 88.5 t -62.75 -27.59 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 179.205 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 5.8 m -66.92 -41.63 86.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.175 0.512 . . . . 25.0 111.431 177.903 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.77 -31.07 59.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.695 0.76 . . . . 25.0 108.985 -179.042 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.2 mtp -60.3 -45.4 93.5 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.34 -0.845 . . . . 25.0 109.203 177.806 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.98 74.29 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.977 0.418 . . . . 25.0 111.11 -179.029 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.21 -47.4 61.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.801 0.334 . . . . 25.0 111.16 -179.621 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.85 -34.2 55.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-O 120.756 0.312 . . . . 25.0 110.793 -178.886 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -59.21 -43.8 92.26 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 175.729 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.38 84.14 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.831 0.348 . . . . 25.0 110.419 178.55 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.03 -42.61 84.59 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 116.454 -0.339 . . . . 25.0 110.465 178.798 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.53 -41.11 98.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.701 0.762 . . . . 25.0 109.874 179.401 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.06 -40.7 94.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.512 -0.767 . . . . 25.0 110.493 178.568 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -33.66 64.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 119.657 -0.817 . . . . 25.0 110.446 178.393 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.4 tpp -63.27 -30.25 71.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 25.0 110.81 179.454 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 59.1 m -52.94 -37.34 60.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.935 -0.575 . . . . 25.0 112.41 -179.037 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 28.2 ptt-85 -65.67 -33.14 75.21 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.185 -0.947 . . . . 25.0 111.354 -178.451 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.74 -48.19 22.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 -178.734 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.8 m -63.29 -29.52 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 115.268 1.581 . . . . 25.0 115.268 -174.595 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.66 -10.84 29.7 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.416 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -118.29 15.13 13.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 179.434 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -124.89 144.37 50.36 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.02 -0.733 . . . . 25.0 109.02 -179.655 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 74.77 4.51 71.29 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 111.426 -0.67 . . . . 25.0 111.426 -178.507 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -159.55 172.03 18.57 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 102.87 -3.011 . . . . 25.0 102.87 -178.023 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 64.91 -29.89 0.11 Allowed 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 116.936 2.199 . . . . 25.0 116.936 179.401 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 69.36 23.84 6.03 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.378 1.471 . . . . 25.0 113.3 177.571 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.82 -26.32 49.43 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 104.881 -2.266 . . . . 25.0 104.881 173.221 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -90.1 14.46 12.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.126 -1.397 . . . . 25.0 112.351 -178.225 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -96.46 15.51 21.22 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.914 -1.039 . . . . 25.0 110.235 -179.555 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 19.27 72.66 0.22 Allowed Pre-proline 0 CA--C 1.56 1.364 0 N-CA-C 117.272 2.323 . . . . 25.0 117.272 -178.193 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.86 -35.71 31.91 Favored 'Trans proline' 0 CA--C 1.53 0.324 1 C-N-CA 128.332 6.021 . . . . 25.0 115.753 -178.827 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 63.11 31.02 79.29 Favored Glycine 0 N--CA 1.46 0.25 0 CA-C-O 122.045 0.803 . . . . 25.0 112.837 -178.228 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 12.3 p -56.27 134.18 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.86 0.838 . . . . 25.0 110.793 -176.873 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 69.1 m -143.98 167.04 23.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -177.615 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 148.49 -14.91 1.25 Allowed Glycine 0 C--O 1.224 -0.51 0 N-CA-C 115.765 1.066 . . . . 25.0 115.765 178.741 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -63.01 130.39 44.49 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 117.689 0.745 . . . . 25.0 110.499 179.438 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.0 m -72.39 142.81 48.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.262 -0.427 . . . . 25.0 110.818 179.739 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 456' ' ' ALA . . . . . 0.401 ' HB1' ' HA3' ' A' ' 459' ' ' GLY . . . -154.58 149.39 26.61 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.276 -0.268 . . . . 25.0 110.276 179.335 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -93.55 -76.29 0.48 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.41 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -68.8 -24.9 64.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 122.13 0.966 . . . . 25.0 109.823 178.398 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 459' ' ' GLY . . . . . 0.401 ' HA3' ' HB1' ' A' ' 456' ' ' ALA . . . -53.69 -28.91 39.6 Favored Glycine 0 C--O 1.207 -1.576 0 CA-C-N 114.082 -1.417 . . . . 25.0 113.623 177.181 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -55.26 -38.6 68.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 118.473 1.136 . . . . 25.0 112.708 179.962 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -69.78 -31.11 68.87 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 121.171 0.51 . . . . 25.0 109.682 179.671 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.3 -48.23 43.86 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 177.061 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -35.47 80.53 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 111.901 0.334 . . . . 25.0 111.901 -175.33 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -60.59 -27.75 67.97 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.831 -0.747 . . . . 25.0 111.518 179.146 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -84.1 -40.92 8.31 Favored Glycine 0 C--O 1.219 -0.783 0 N-CA-C 108.677 -1.769 . . . . 25.0 108.677 174.76 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.1 68.99 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 -179.107 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -64.71 -44.67 89.47 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.211 0.529 . . . . 25.0 111.371 178.605 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.45 83.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.476 -177.854 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.6 m -70.95 -31.28 44.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.408 -179.51 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.55 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.372 0.533 . . . . 25.0 110.885 -179.074 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.64 84.42 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 177.782 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.71 -34.27 67.0 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.557 0.218 . . . . 25.0 111.287 177.872 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -69.44 -42.59 74.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.14 0.495 . . . . 25.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -72.12 -26.17 62.02 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.268 -0.895 . . . . 25.0 109.903 177.519 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -49.8 66.93 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 175.675 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.29 -35.31 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -177.144 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -61.47 -38.38 87.02 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.419 -0.81 . . . . 25.0 109.97 177.689 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.11 93.14 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.14 -0.35 . . . . 25.0 111.062 -179.324 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.3 mp -71.92 -34.05 49.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 120.386 -0.526 . . . . 25.0 109.64 -179.208 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.77 -29.46 66.81 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.524 0.678 . . . . 25.0 109.421 179.644 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.47 -43.26 40.64 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.659 0.742 . . . . 25.0 109.42 177.349 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.5 mtm -62.76 -25.18 68.08 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 116.057 -0.52 . . . . 25.0 112.112 -179.411 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 29.5 p -82.65 -34.16 27.55 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.828 -0.749 . . . . 25.0 110.255 -177.095 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -80.13 -29.52 38.92 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.112 -0.635 . . . . 25.0 110.672 176.404 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -77.88 -28.97 50.04 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 121.618 -0.676 . . . . 25.0 110.607 177.017 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 72.44 24.31 76.49 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.113 -0.565 . . . . 25.0 112.074 -178.044 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -118.38 29.45 7.76 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 122.491 -0.417 . . . . 25.0 111.959 -176.886 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -61.16 124.65 21.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.376 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -84.58 27.15 4.85 Favored Glycine 0 C--O 1.226 -0.385 0 CA-C-O 121.622 0.568 . . . . 25.0 114.214 -178.109 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.206 -1.224 0 CA-C-O 124.36 2.029 . . . . 25.0 111.573 -179.376 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 . . . . . 0 C--O 1.216 -0.661 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 63.8 t -67.25 -33.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.111 0.482 . . . . 25.0 109.981 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 61.2 m -66.27 -39.51 89.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.857 -0.337 . . . . 25.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.65 -36.12 62.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.711 0.767 . . . . 25.0 109.056 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 61.3 ttp -63.04 -37.23 86.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.739 -0.664 . . . . 25.0 109.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.78 71.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.504 -0.316 . . . . 25.0 110.806 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.69 78.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.01 -43.55 92.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.73 -45.76 85.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.353 . . . . 25.0 110.147 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.44 93.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.693 0.282 . . . . 25.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.19 84.39 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.537 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.85 -42.51 99.78 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.635 0.731 . . . . 25.0 110.328 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.27 -43.05 82.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.082 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -76.15 -32.14 58.94 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.454 -0.898 . . . . 25.0 113.274 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.7 tpp -62.88 -35.11 78.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.045 0.45 . . . . 25.0 110.018 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 73.8 m -57.15 -35.36 69.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.365 0.602 . . . . 25.0 110.169 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -67.02 -42.69 84.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.36 -44.97 93.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.378 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 21.8 m -69.08 -33.68 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--N 1.322 -0.605 0 O-C-N 122.295 -0.253 . . . . 25.0 110.6 177.105 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.322 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -36.8 84.36 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 122.179 -0.325 . . . . 25.0 110.611 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -59.29 -34.74 72.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.48 -0.763 . . . . 25.0 111.08 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.65 -48.5 55.87 Favored Glycine 0 C--O 1.22 -0.742 0 N-CA-C 108.02 -2.032 . . . . 25.0 108.02 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.33 63.19 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -69.33 -41.78 76.19 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.061 -0.399 . . . . 25.0 111.7 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.37 79.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.325 0.583 . . . . 25.0 110.32 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -69.72 -26.46 30.67 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 CA-C-N 116.224 -0.443 . . . . 25.0 110.705 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.9 -30.56 61.79 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.63 91.69 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -36.47 67.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.448 ' HA ' HG12 ' A' ' 476' ' ' VAL . 72.4 mm-40 -65.82 -47.23 75.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -62.67 -28.16 69.74 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.471 -0.492 . . . . 25.0 109.683 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -51.84 16.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.993 -0.549 . . . . 25.0 110.793 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.2 p -63.23 -35.51 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 118.786 0.721 . . . . 25.0 109.596 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -62.1 -36.18 80.95 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.509 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.91 91.74 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.785 -0.366 . . . . 25.0 110.451 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.52 -32.9 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.473 -0.491 . . . . 25.0 109.817 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.12 67.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.35 0.595 . . . . 25.0 109.47 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.35 -42.96 43.08 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 121.42 0.629 . . . . 25.0 109.615 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -63.28 -26.89 68.99 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.874 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 20.0 p -83.79 -33.6 24.93 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.902 -0.719 . . . . 25.0 109.947 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.88 -25.78 43.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.048 -0.661 . . . . 25.0 110.204 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 N--CA 1.445 -0.683 0 O-C-N 121.769 -0.582 . . . . 25.0 110.584 175.209 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 . . . . . 0 C--O 1.215 -0.732 0 N-CA-C 110.281 -0.266 . . . . 25.0 110.281 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.35 -34.71 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 122.226 -0.296 . . . . 25.0 110.392 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.1 m -67.8 -40.51 83.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.813 -0.554 . . . . 25.0 109.782 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -70.66 -32.23 69.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.9 mtp -63.52 -40.97 98.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.946 0.403 . . . . 25.0 110.724 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.35 -33.27 73.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.41 0.624 . . . . 25.0 109.969 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.33 -44.76 64.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.312 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.75 -31.54 51.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 C-N-CA 120.908 -0.317 . . . . 25.0 111.032 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -55.55 -44.25 76.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.43 81.46 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 122.202 -0.311 . . . . 25.0 110.925 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.52 93.02 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.673 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -60.65 -46.62 89.63 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.487 0.66 . . . . 25.0 109.433 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 56.7 mt -57.89 -44.66 86.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.444 -0.798 . . . . 25.0 112.046 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -74.76 -32.94 62.2 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 119.404 -0.919 . . . . 25.0 112.398 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 70.2 mtm -67.67 -33.86 75.77 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.491 0.587 . . . . 25.0 110.25 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 89.9 m -56.48 -36.99 69.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -65.4 -40.16 93.08 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 121.565 -0.709 . . . . 25.0 110.412 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -67.81 -44.32 77.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.735 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.78 -32.34 54.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 77.8 mt . . . . . 0 C--N 1.322 -0.63 0 CA-C-O 120.578 0.228 . . . . 25.0 111.482 177.291 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.467 0.175 . . . . 25.0 110.823 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -37.54 87.52 Favored 'General case' 0 C--O 1.211 -0.935 0 C-N-CA 120.796 -0.362 . . . . 25.0 111.39 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.12 -36.56 73.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 118.93 0.786 . . . . 25.0 110.915 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.11 -49.06 42.92 Favored Glycine 0 C--O 1.219 -0.794 0 N-CA-C 108.689 -1.764 . . . . 25.0 108.689 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.26 67.2 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -71.04 -43.82 67.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.103 0.478 . . . . 25.0 110.603 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.33 95.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.12 -33.84 52.68 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.203 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.729 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.34 75.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.06 0.845 . . . . 25.0 111.226 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.85 88.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.78 67.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.798 -0.183 . . . . 25.0 110.562 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.416 ' HA ' HG12 ' A' ' 476' ' ' VAL . 46.1 mm-40 -65.13 -46.47 80.86 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.015 -0.428 . . . . 25.0 111.789 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -64.67 -27.47 68.95 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 109.548 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -53.18 11.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.628 176.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.5 p -63.25 -36.04 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 118.58 0.627 . . . . 25.0 109.906 -175.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -63.76 -33.63 76.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.525 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.13 99.48 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.652 -0.419 . . . . 25.0 109.996 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.73 -34.1 50.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.9 -26.93 64.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.486 0.66 . . . . 25.0 109.843 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.4 mt -78.24 -42.72 30.3 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.4 mtm -62.53 -26.06 68.37 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 111.892 0.33 . . . . 25.0 111.892 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.6 p -79.3 -35.74 40.71 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.413 -0.915 . . . . 25.0 110.467 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -79.94 -32.9 40.0 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.476 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 . . . . . 0 C--N 1.329 -0.32 0 N-CA-C 108.925 -0.768 . . . . 25.0 108.925 177.135 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.218 -0.6 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 52.4 t -72.03 -26.28 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.753 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.7 m -67.48 -39.34 85.26 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.577 -0.702 . . . . 25.0 109.538 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -75.84 -31.88 59.54 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.74 -39.28 88.12 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.768 -0.651 . . . . 25.0 109.464 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.25 -32.36 72.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.864 0.364 . . . . 25.0 111.087 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.6 -46.44 59.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.769 0.318 . . . . 25.0 110.614 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.04 -33.12 57.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 C-N-CA 121.112 -0.235 . . . . 25.0 110.438 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.46 -43.53 79.66 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.958 0.408 . . . . 25.0 110.005 175.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.57 87.99 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 122.093 -0.379 . . . . 25.0 110.601 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.78 -42.29 81.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.395 . . . . 25.0 110.278 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -61.85 -43.21 99.32 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.78 -45.79 85.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.128 -0.487 . . . . 25.0 112.098 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.74 -33.61 64.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 119.357 -0.937 . . . . 25.0 111.92 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 72.5 mtm -66.99 -34.63 78.17 Favored 'General case' 0 C--O 1.221 -0.418 0 O-C-N 121.802 -0.561 . . . . 25.0 109.52 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 85.6 m -61.58 -38.56 88.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.64 -38.31 86.64 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.43 -0.582 . . . . 25.0 109.43 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -65.47 -48.54 72.3 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.44 -36.76 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.323 -0.584 0 O-C-N 122.195 -0.315 . . . . 25.0 111.637 178.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.062 -0.347 . . . . 25.0 110.062 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -36.27 82.26 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.645 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -60.44 -36.4 78.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.834 0.743 . . . . 25.0 110.28 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.09 -44.76 65.14 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 109.198 -1.561 . . . . 25.0 109.198 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.43 -39.91 64.75 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 122.843 0.457 . . . . 25.0 112.027 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -65.27 -44.2 88.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.084 0.469 . . . . 25.0 111.433 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.5 75.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.157 0.503 . . . . 25.0 110.9 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.0 m -69.79 -26.71 31.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 CA-C-N 116.551 -0.295 . . . . 25.0 110.925 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.11 -34.27 65.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.034 0.379 . . . . 25.0 111.342 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.23 90.3 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.22 67.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.581 0.229 . . . . 25.0 110.516 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.423 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.6 mm-40 -67.55 -46.7 71.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.018 -0.426 . . . . 25.0 111.987 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -63.89 -27.91 69.48 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.468 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -52.09 19.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.887 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.8 p -63.24 -35.9 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 118.642 0.656 . . . . 25.0 109.798 -176.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.57 -35.22 79.79 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.937 -0.574 . . . . 25.0 110.34 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.9 94.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.569 -0.453 . . . . 25.0 110.203 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.11 -34.52 59.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.73 -26.91 64.41 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.311 0.576 . . . . 25.0 109.843 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.0 mt -80.7 -42.25 22.28 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.281 0.562 . . . . 25.0 109.922 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.1 mtm -61.82 -27.56 68.86 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.565 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.8 p -77.93 -34.07 51.4 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 119.458 -0.897 . . . . 25.0 110.628 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -82.25 -27.7 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.366 -0.534 . . . . 25.0 111.317 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 . . . . . 0 N--CA 1.452 -0.351 0 O-C-N 121.65 -0.656 . . . . 25.0 110.554 177.058 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 . . . . . 0 C--O 1.213 -0.825 0 N-CA-C 109.49 -0.559 . . . . 25.0 109.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.75 -34.21 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.896 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.4 m -68.0 -41.65 81.95 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.003 -0.436 . . . . 25.0 110.388 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -73.69 -31.19 63.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.024 0.44 . . . . 25.0 110.031 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 51.4 ttp -64.86 -42.47 94.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.73 76.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.127 0.489 . . . . 25.0 110.584 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.37 75.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.201 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.6 p -71.55 -33.25 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.911 -0.316 . . . . 25.0 110.6 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -57.64 -47.37 82.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 175.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.59 94.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 25.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.45 92.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 25.0 111.737 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 20.3 pt-20 -72.68 -31.26 64.91 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.304 -0.959 . . . . 25.0 110.479 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.36 -47.95 79.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.4 -0.52 . . . . 25.0 110.048 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -71.29 -33.75 70.0 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 119.905 -0.718 . . . . 25.0 112.873 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . 0.475 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 21.8 ptp -68.1 -33.14 73.96 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.497 -0.881 . . . . 25.0 109.863 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 79.9 m -65.7 -37.7 87.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.195 0.522 . . . . 25.0 109.668 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -65.15 -37.86 88.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.326 -0.859 . . . . 25.0 109.388 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -66.74 -39.68 88.03 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.2 m -77.02 -24.53 15.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.52 0 N-CA-C 114.127 1.158 . . . . 25.0 114.127 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.5 mt . . . . . 0 C--N 1.315 -0.9 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 175.34 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.246 0 N-CA-C 110.432 -0.211 . . . . 25.0 110.432 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -37.64 87.64 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.916 -0.49 . . . . 25.0 109.798 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -65.77 -32.96 74.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.804 -0.56 . . . . 25.0 110.595 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -64.7 -48.8 68.54 Favored Glycine 0 C--O 1.221 -0.678 0 N-CA-C 107.48 -2.248 . . . . 25.0 107.48 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.78 68.56 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.426 0.291 . . . . 25.0 111.698 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -64.29 -46.39 83.83 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.176 0.512 . . . . 25.0 110.602 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.85 73.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.444 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.79 -26.42 32.79 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.83 0 C-N-CA 120.719 -0.392 . . . . 25.0 110.311 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.44 -31.46 65.93 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.253 0.479 . . . . 25.0 111.254 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.14 87.65 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -37.51 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.151 -0.314 . . . . 25.0 110.151 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.443 ' HA ' HG12 ' A' ' 476' ' ' VAL . 67.0 mm-40 -65.67 -47.04 76.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -63.07 -27.9 69.71 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -51.51 16.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.139 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.7 p -63.48 -36.57 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.777 0.717 . . . . 25.0 109.527 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -62.93 -35.9 81.62 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.274 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.58 95.29 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.597 -0.441 . . . . 25.0 110.242 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -71.54 -34.31 52.4 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 O-C-N 122.027 -0.42 . . . . 25.0 109.932 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.67 -26.96 65.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.545 0.688 . . . . 25.0 109.425 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.18 -42.31 23.61 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.6 mtm -61.39 -27.88 68.84 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 120.583 -0.447 . . . . 25.0 112.114 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.7 p -80.72 -35.27 33.71 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.977 -0.689 . . . . 25.0 110.263 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.59 -24.65 39.01 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.31 -0.556 . . . . 25.0 110.374 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 N--CA 1.451 -0.383 0 O-C-N 121.972 -0.455 . . . . 25.0 110.161 176.355 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 . . . . . 0 C--O 1.216 -0.664 0 CA-C-O 121.038 0.447 . . . . 25.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 28.0 t -74.16 -29.87 25.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 30.5 m -67.95 -36.68 80.52 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.948 -0.47 . . . . 25.0 109.811 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -74.56 -30.55 61.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.605 0.716 . . . . 25.0 109.58 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.34 -28.99 69.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.191 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.86 74.71 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.988 0.423 . . . . 25.0 110.197 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.52 -36.4 65.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 80.5 t -63.09 -44.66 99.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -56.53 -48.06 78.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.072 0.463 . . . . 25.0 110.819 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.09 97.61 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.465 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.6 -48.1 73.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 25.0 111.997 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.9 -33.06 73.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.588 -0.695 . . . . 25.0 110.23 -177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 35.6 mt -64.24 -46.23 84.68 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.092 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -73.69 -32.31 63.87 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.679 -0.809 . . . . 25.0 111.845 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 51.7 mtm -63.65 -41.74 98.18 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.4 m -57.89 -40.18 79.67 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.269 0.557 . . . . 25.0 110.905 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -64.53 -45.11 88.59 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.41 0.624 . . . . 25.0 109.953 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -64.79 -40.65 95.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.406 -0.815 . . . . 25.0 110.598 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.2 -37.19 72.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 123.983 0.913 . . . . 25.0 111.519 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--N 1.326 -0.45 0 O-C-N 122.022 -0.424 . . . . 25.0 111.895 179.563 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 111.441 0.163 . . . . 25.0 111.441 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.63 -34.03 77.33 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.985 -0.447 . . . . 25.0 110.515 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -59.22 -36.29 75.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.164 -0.614 . . . . 25.0 110.017 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.03 -43.07 58.09 Favored Glycine 0 C--O 1.221 -0.683 0 N-CA-C 109.35 -1.5 . . . . 25.0 109.35 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.37 -40.07 64.69 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.85 0.46 . . . . 25.0 111.897 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -64.75 -43.02 94.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.069 0.462 . . . . 25.0 111.97 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.32 68.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.213 0.53 . . . . 25.0 111.009 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.9 m -68.26 -27.28 36.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 116.434 -0.348 . . . . 25.0 110.695 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -54.55 -32.87 59.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 117.739 0.245 . . . . 25.0 111.492 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.61 91.59 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.95 66.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.73 0.3 . . . . 25.0 110.788 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.418 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.3 mm-40 -69.73 -45.65 67.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.085 0.469 . . . . 25.0 111.45 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -64.84 -26.43 68.33 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.96 -0.696 . . . . 25.0 109.392 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -50.63 24.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.582 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 473' ' ' GLN . 9.7 p -63.48 -37.04 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 -177.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -63.37 -36.06 82.45 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.994 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.84 89.51 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.612 -0.435 . . . . 25.0 110.282 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.59 -35.22 65.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.03 -27.71 65.73 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.4 mt -81.23 -43.22 19.55 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.021 0.439 . . . . 25.0 110.568 176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.6 mtm -59.05 -26.43 64.59 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.9 p -77.95 -37.27 47.9 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.062 -1.055 . . . . 25.0 110.038 -176.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -83.71 -24.34 31.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.018 0.377 . . . . 25.0 112.018 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 N--CA 1.45 -0.461 0 CA-C-N 118.213 0.46 . . . . 25.0 111.659 176.889 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--O 1.219 -0.507 0 N-CA-C 107.972 -1.121 . . . . 25.0 107.972 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.96 -32.91 60.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.819 -0.628 . . . . 25.0 110.405 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 69.7 m -63.29 -41.65 99.0 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.028 -0.42 . . . . 25.0 111.216 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -75.76 -35.26 60.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.611 0.719 . . . . 25.0 109.635 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.3 ttp -62.92 -36.18 82.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.557 . . . . 25.0 110.4 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.36 -31.17 72.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.899 0.38 . . . . 25.0 110.661 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.35 75.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.25 -44.75 87.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.36 -44.33 88.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.136 0.493 . . . . 25.0 109.949 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.91 87.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.501 -0.318 . . . . 25.0 110.409 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.15 84.35 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.99 -45.68 92.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.469 0.652 . . . . 25.0 109.685 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.94 -38.44 91.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.481 0.658 . . . . 25.0 110.372 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -33.36 68.0 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.024 -0.535 . . . . 25.0 110.869 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.4 mtm -71.6 -39.18 70.67 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.143 -0.973 . . . . 25.0 109.536 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 62.1 m -59.34 -43.09 92.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.665 0.269 . . . . 25.0 111.706 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -66.12 -31.29 72.06 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 119.621 -0.832 . . . . 25.0 110.159 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -72.37 -44.57 62.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.946 1.091 . . . . 25.0 113.946 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.97 -30.76 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 112.937 0.718 . . . . 25.0 112.937 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.385 178.063 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.341 0.115 . . . . 25.0 110.812 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -36.9 85.47 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 120.713 -0.395 . . . . 25.0 111.075 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -62.0 -34.46 76.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.607 -0.683 . . . . 25.0 110.343 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.8 -48.18 62.8 Favored Glycine 0 C--O 1.218 -0.86 0 N-CA-C 108.106 -1.998 . . . . 25.0 108.106 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.72 65.07 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -67.12 -45.62 76.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.23 0.538 . . . . 25.0 111.092 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.28 84.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.011 0.434 . . . . 25.0 110.92 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.44 -31.33 50.84 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 C-N-CA 120.811 -0.355 . . . . 25.0 110.337 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.22 66.7 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.188 0.449 . . . . 25.0 111.547 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.03 89.61 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.938 0.399 . . . . 25.0 109.972 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.78 -34.01 66.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.325 -0.235 . . . . 25.0 110.596 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.44 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.1 mm-40 -68.66 -45.97 70.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.955 -0.466 . . . . 25.0 111.57 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.4 -27.3 69.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -52.32 13.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.774 -0.648 . . . . 25.0 110.783 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.2 p -63.37 -36.7 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 118.694 0.679 . . . . 25.0 109.551 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -63.36 -35.88 81.87 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.987 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.67 87.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.047 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -69.37 -35.81 69.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.55 -0.46 . . . . 25.0 109.769 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.66 -27.14 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.781 -0.451 . . . . 25.0 109.781 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.38 -43.08 19.52 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.905 0.383 . . . . 25.0 111.164 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.6 mtm -59.22 -24.04 62.81 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 115.972 -0.558 . . . . 25.0 112.06 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.2 p -78.74 -31.22 46.21 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.464 -0.894 . . . . 25.0 109.685 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -79.52 -39.86 30.98 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.818 0.818 . . . . 25.0 109.059 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 114.798 -1.092 . . . . 25.0 109.254 176.009 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 . . . . . 0 C--O 1.216 -0.708 0 CA-C-O 120.829 0.347 . . . . 25.0 110.658 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.5 t -74.25 -35.11 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.3 m -68.87 -36.53 78.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.92 0.391 . . . . 25.0 110.189 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.96 -34.59 75.59 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.338 -0.616 . . . . 25.0 109.338 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 35.0 ttm -60.55 -39.33 87.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.122 0.487 . . . . 25.0 110.366 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.77 -30.07 69.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.562 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.75 -36.81 73.3 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.65 -45.14 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.715 -0.846 . . . . 25.0 108.715 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.84 -44.01 90.86 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.99 91.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.338 -0.226 . . . . 25.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.95 87.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.743 0.306 . . . . 25.0 110.766 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.06 -41.63 97.29 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.556 0.693 . . . . 25.0 109.645 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.47 -47.28 82.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.576 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -69.39 -32.22 71.1 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.642 -0.823 . . . . 25.0 111.328 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 64.7 mtm -64.79 -42.2 95.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 46.0 m -62.76 -39.72 95.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.943 0.402 . . . . 25.0 110.343 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -65.37 -41.03 94.23 Favored 'General case' 0 CA--C 1.511 -0.555 0 O-C-N 121.266 -0.896 . . . . 25.0 110.24 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.49 -47.74 84.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.531 -0.759 . . . . 25.0 112.23 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.81 -37.58 79.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.662 -0.415 . . . . 25.0 112.001 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--N 1.323 -0.548 0 O-C-N 122.249 -0.282 . . . . 25.0 111.438 178.609 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.404 0 CA-C-O 119.996 -0.05 . . . . 25.0 111.076 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -36.45 84.15 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 122.041 -0.412 . . . . 25.0 110.531 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -64.16 -35.27 80.22 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.177 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.36 -43.72 77.48 Favored Glycine 0 C--O 1.216 -1.026 0 N-CA-C 108.783 -1.727 . . . . 25.0 108.783 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.77 -35.83 66.68 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 122.671 0.388 . . . . 25.0 111.561 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -72.42 -41.26 66.42 Favored 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.96 89.29 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.188 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.33 -27.91 36.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 N-CA-C 110.234 -0.284 . . . . 25.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.09 -31.41 67.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.233 0.469 . . . . 25.0 111.507 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.02 89.54 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.97 66.97 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 120.643 0.259 . . . . 25.0 110.351 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.453 ' HA ' HG12 ' A' ' 476' ' ' VAL . 68.6 mm-40 -67.15 -46.13 74.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.37 -27.55 69.15 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.27 -52.32 10.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.596 -0.729 . . . . 25.0 111.219 178.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.3 p -63.44 -36.46 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 118.55 0.614 . . . . 25.0 110.263 -175.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -63.57 -33.73 76.24 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.34 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.9 96.17 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.465 -0.494 . . . . 25.0 109.997 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.06 -32.77 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.72 -27.64 65.09 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.34 -43.78 18.56 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.103 0.478 . . . . 25.0 110.088 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.1 mtm -61.03 -26.87 67.92 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 120.886 0.374 . . . . 25.0 111.753 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.1 p -80.23 -33.69 37.83 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 119.684 -0.806 . . . . 25.0 110.567 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -81.7 -27.14 34.1 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.147 -0.621 . . . . 25.0 111.007 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 N--CA 1.449 -0.479 0 O-C-N 121.811 -0.556 . . . . 25.0 110.936 176.485 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 . . . . . 0 C--O 1.217 -0.626 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 45.1 t -71.55 -30.38 38.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.865 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.8 m -64.66 -41.47 96.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.716 -0.615 . . . . 25.0 109.829 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -74.82 -31.25 61.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.054 -0.521 . . . . 25.0 109.761 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 41.6 ttm -62.12 -44.21 97.13 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.6 -34.58 78.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.021 0.439 . . . . 25.0 110.664 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.17 75.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.511 -0.313 . . . . 25.0 111.223 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.43 -35.49 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.807 0.337 . . . . 25.0 110.516 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -60.36 -42.82 96.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.826 -0.435 . . . . 25.0 109.826 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.79 -37.38 87.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.708 0.29 . . . . 25.0 110.729 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.12 84.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.389 -0.369 . . . . 25.0 110.344 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.47 -42.47 99.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.944 0.878 . . . . 25.0 109.634 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 40.6 mt -59.67 -43.21 94.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.846 . . . . 25.0 111.615 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -73.71 -32.07 63.72 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.611 -0.835 . . . . 25.0 111.932 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.9 tpp -61.66 -38.53 88.07 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 176.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 50.2 m -60.66 -36.77 79.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.303 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -66.39 -44.54 82.77 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.337 -0.986 . . . . 25.0 108.337 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.56 -45.28 92.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.093 -0.958 . . . . 25.0 112.443 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.97 -35.89 66.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 122.188 -0.32 . . . . 25.0 111.366 178.831 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.411 0 N-CA-C 109.901 -0.407 . . . . 25.0 109.901 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -38.44 84.45 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 120.171 -0.612 . . . . 25.0 110.318 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.56 -35.6 76.43 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.737 -0.602 . . . . 25.0 110.131 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.6 -47.37 62.5 Favored Glycine 0 C--O 1.221 -0.657 0 N-CA-C 109.223 -1.551 . . . . 25.0 109.223 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.31 -39.42 64.02 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.845 0.458 . . . . 25.0 112.125 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -66.18 -44.11 84.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.166 0.508 . . . . 25.0 111.057 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.81 69.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.006 0.431 . . . . 25.0 111.601 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 24.0 m -66.49 -26.58 37.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 116.636 -0.256 . . . . 25.0 110.403 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.11 61.17 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.355 -0.215 . . . . 25.0 111.489 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.19 -37.71 84.13 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.88 0.371 . . . . 25.0 110.108 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.77 -31.77 65.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.662 0.268 . . . . 25.0 110.756 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.446 ' HA ' HG12 ' A' ' 476' ' ' VAL . 47.2 mm-40 -72.02 -45.76 59.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.384 0.612 . . . . 25.0 111.772 -176.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -63.22 -27.55 69.43 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.17 -52.71 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.001 -0.545 . . . . 25.0 111.16 177.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.7 p -62.74 -36.21 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 118.735 0.698 . . . . 25.0 109.72 -175.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -62.79 -36.61 83.69 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.884 -0.598 . . . . 25.0 110.408 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.23 91.07 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.699 -0.401 . . . . 25.0 110.479 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -71.54 -35.29 55.87 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 C-N-CA 120.397 -0.521 . . . . 25.0 109.84 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.6 66.29 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.441 0.638 . . . . 25.0 110.054 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.49 -41.8 38.08 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 121.321 0.582 . . . . 25.0 109.867 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.0 mtm -62.91 -28.29 69.95 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 116.189 -0.46 . . . . 25.0 111.601 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.3 p -80.39 -34.76 36.08 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.671 -0.811 . . . . 25.0 110.114 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -81.47 -23.56 37.34 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.977 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 N--CA 1.453 -0.289 0 O-C-N 121.669 -0.644 . . . . 25.0 110.924 176.462 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 . . . . . 0 C--O 1.213 -0.858 0 CA-C-O 121.25 0.547 . . . . 25.0 110.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.8 -36.08 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.9 m -68.67 -40.55 80.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.66 0.267 . . . . 25.0 110.636 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -70.57 -34.67 72.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.5 ttp -66.54 -31.82 72.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.953 0.406 . . . . 25.0 109.939 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.81 69.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.925 -0.484 . . . . 25.0 109.737 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.45 -34.96 70.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.03 -44.03 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.1 -44.9 92.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.689 -0.485 . . . . 25.0 109.689 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.34 91.53 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.181 -0.324 . . . . 25.0 110.46 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.26 -44.77 87.05 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.553 -0.294 . . . . 25.0 110.219 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.86 -45.4 94.66 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 121.606 0.717 . . . . 25.0 109.512 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.5 -44.16 97.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.643 -0.708 . . . . 25.0 111.622 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -75.74 -35.28 60.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.338 -0.945 . . . . 25.0 112.784 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 67.6 mtm -62.48 -38.77 91.13 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 118.34 0.518 . . . . 25.0 110.17 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.0 m -53.03 -35.34 59.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.543 0.687 . . . . 25.0 110.718 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -66.98 -38.34 85.86 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.767 -0.583 . . . . 25.0 112.328 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -76.96 -39.03 52.05 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.55 -40.21 67.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 123.39 0.676 . . . . 25.0 111.599 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 47.4 mt . . . . . 0 C--N 1.323 -0.559 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 179.746 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.912 -0.403 . . . . 25.0 109.912 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -38.57 86.49 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-O 119.116 -0.468 . . . . 25.0 110.906 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -54.97 -39.52 69.07 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.1 0.863 . . . . 25.0 110.44 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.87 -50.02 25.95 Favored Glycine 0 C--O 1.218 -0.883 0 N-CA-C 109.895 -1.282 . . . . 25.0 109.895 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.21 66.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -71.61 -43.18 66.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.05 0.452 . . . . 25.0 110.109 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.26 87.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.939 0.4 . . . . 25.0 110.142 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.2 m -70.44 -28.68 35.9 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.297 0 C-N-CA 120.464 -0.494 . . . . 25.0 110.402 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.26 -36.16 72.82 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.028 0.831 . . . . 25.0 110.693 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.37 87.38 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.78 65.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.631 -0.259 . . . . 25.0 110.96 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.468 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.6 mm-40 -71.1 -45.81 62.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.88 -0.512 . . . . 25.0 111.352 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -63.29 -27.7 69.51 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.26 -52.44 13.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.946 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.8 p -63.4 -35.32 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 O-C-N 121.627 -0.671 . . . . 25.0 109.46 -176.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -62.68 -36.77 83.97 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.233 -0.44 . . . . 25.0 110.553 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.3 96.52 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.571 -0.451 . . . . 25.0 109.821 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.3 mt -72.17 -34.46 49.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.35 -26.98 65.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.364 0.602 . . . . 25.0 109.75 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.8 mt -77.05 -43.1 35.75 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.7 mtm -62.32 -28.93 70.09 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 122.099 -0.376 . . . . 25.0 111.298 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.5 p -80.31 -12.34 59.61 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.296 -0.562 . . . . 25.0 112.074 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -108.97 -33.64 6.85 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 111.768 0.285 . . . . 25.0 111.768 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 . . . . . 0 N--CA 1.45 -0.456 0 O-C-N 121.614 -0.679 . . . . 25.0 110.135 178.163 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 . . . . . 0 C--O 1.212 -0.894 0 CA-C-O 120.474 0.178 . . . . 25.0 111.152 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 63.4 t -72.66 -35.17 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 108.624 -0.88 . . . . 25.0 108.624 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.0 m -68.03 -39.67 83.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -68.14 -37.54 81.18 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 57.7 ttp -65.2 -32.44 74.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.174 -0.466 . . . . 25.0 111.129 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.59 -32.78 74.35 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.208 0.528 . . . . 25.0 110.029 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.81 65.56 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.41 -44.0 97.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.445 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 177.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.86 -43.71 81.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.711 0.291 . . . . 25.0 110.823 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.78 99.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.76 -0.376 . . . . 25.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.18 85.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.785 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.36 -41.95 98.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 32.2 mt -61.22 -43.6 98.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.2 0.445 . . . . 25.0 112.2 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.9 -35.61 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.843 -0.743 . . . . 25.0 111.073 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.3 mtm -64.1 -37.73 88.49 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.827 -0.545 . . . . 25.0 109.706 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 83.7 m -58.23 -37.27 74.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.955 0.407 . . . . 25.0 110.344 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -66.17 -46.29 77.88 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.308 -0.87 . . . . 25.0 109.319 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.24 -42.94 99.27 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.21 -38.06 80.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.554 -0.458 . . . . 25.0 112.115 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--N 1.326 -0.439 0 O-C-N 121.992 -0.442 . . . . 25.0 110.796 178.684 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.271 0 CA-C-O 120.499 0.19 . . . . 25.0 110.502 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -40.37 90.86 Favored 'General case' 0 C--O 1.212 -0.879 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.692 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.0 -33.35 75.54 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.569 -0.707 . . . . 25.0 111.091 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.24 -48.15 66.54 Favored Glycine 0 C--O 1.22 -0.771 0 N-CA-C 107.731 -2.148 . . . . 25.0 107.731 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.73 -38.39 72.3 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 116.613 0.206 . . . . 25.0 111.311 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -66.5 -45.33 79.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.098 0.475 . . . . 25.0 110.672 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.27 87.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.203 0.525 . . . . 25.0 110.409 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.0 m -70.33 -29.06 37.63 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 C-N-CA 120.014 -0.674 . . . . 25.0 110.737 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.84 -35.25 72.61 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.845 0.748 . . . . 25.0 110.471 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.0 89.52 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.26 67.43 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 122.248 -0.283 . . . . 25.0 110.939 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.463 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.7 mm-40 -69.08 -45.55 70.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.615 -0.678 . . . . 25.0 112.673 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 12.4 ptm85 -62.1 -27.82 69.19 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.8 tp -76.25 -52.98 8.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.579 -0.737 . . . . 25.0 111.595 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 473' ' ' GLN . 8.4 p -63.88 -37.97 81.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.827 -0.546 . . . . 25.0 110.006 -175.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -64.34 -35.56 81.29 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.41 97.41 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.695 -0.628 . . . . 25.0 109.886 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.4 -36.56 67.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.18 -27.13 65.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.201 0.524 . . . . 25.0 109.839 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.13 -39.95 28.42 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.0 mtm -62.59 -29.08 70.33 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.698 -0.626 . . . . 25.0 111.294 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.5 p -81.61 -15.72 53.79 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.389 -0.524 . . . . 25.0 112.17 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.21 -26.21 13.07 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.037 -0.265 . . . . 25.0 110.994 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.333 -0.147 0 O-C-N 121.868 -0.52 . . . . 25.0 111.682 177.629 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 . . . . . 0 C--O 1.216 -0.666 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.18 -28.01 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.196 0.522 . . . . 25.0 109.946 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 34.5 m -68.51 -39.7 81.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -75.15 -29.18 60.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.857 -0.423 . . . . 25.0 109.857 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 55.2 ttm -59.91 -40.89 90.36 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.295 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.02 77.42 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.255 0.55 . . . . 25.0 111.131 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.73 -45.41 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.887 0.375 . . . . 25.0 111.134 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.86 -34.54 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.55 -0.296 . . . . 25.0 110.619 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -47.32 75.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.254 0.549 . . . . 25.0 109.929 176.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.58 91.27 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 122.067 -0.395 . . . . 25.0 110.258 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.82 72.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.027 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.8 -33.46 68.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.665 -0.647 . . . . 25.0 110.543 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.84 -42.4 98.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 176.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.01 -32.24 61.57 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 40.9 mtm -63.54 -37.11 86.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 118.336 0.516 . . . . 25.0 110.384 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 57.8 m -56.18 -33.12 64.97 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.917 0.865 . . . . 25.0 110.608 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -70.97 -42.67 69.42 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.707 -0.621 . . . . 25.0 109.813 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -64.95 -39.97 94.3 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.4 t -59.66 -40.2 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.0 -1.0 . . . . 25.0 111.019 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 56.7 mt . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 179.195 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 120.363 0.125 . . . . 25.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -35.19 79.9 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.394 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.28 -32.59 74.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.629 -0.669 . . . . 25.0 110.323 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.33 -44.17 91.2 Favored Glycine 0 C--O 1.22 -0.778 0 N-CA-C 107.935 -2.066 . . . . 25.0 107.935 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.59 -39.42 67.82 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 122.584 0.353 . . . . 25.0 111.589 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -66.72 -43.26 84.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.107 0.48 . . . . 25.0 111.59 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.2 79.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.256 0.551 . . . . 25.0 111.064 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.4 m -68.08 -27.94 39.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.485 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.89 -30.46 61.6 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.598 0.221 . . . . 25.0 111.598 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.93 92.84 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.3 66.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.772 0.32 . . . . 25.0 110.432 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.415 ' HA ' HG12 ' A' ' 476' ' ' VAL . 56.8 mm-40 -68.28 -45.47 72.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.957 0.408 . . . . 25.0 111.779 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -65.02 -26.81 68.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.469 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -51.05 23.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.98 -0.554 . . . . 25.0 110.514 177.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.7 p -63.4 -36.82 77.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.493 0.663 . . . . 25.0 109.327 -176.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -63.54 -35.8 81.68 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.98 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.67 -45.66 88.89 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.328 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -69.6 -35.47 66.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.4 -27.24 65.82 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.4 0.619 . . . . 25.0 109.426 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.39 -42.48 20.39 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-O 120.978 0.418 . . . . 25.0 110.496 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.4 mtm -59.35 -26.95 65.48 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.6 p -77.46 -37.6 51.12 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.083 -1.047 . . . . 25.0 110.042 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -83.19 -24.18 32.55 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.104 -0.239 . . . . 25.0 111.584 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.448 -0.535 0 O-C-N 121.693 -0.63 . . . . 25.0 111.687 177.11 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--O 1.212 -0.878 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 27.7 t -71.88 -33.45 47.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.126 -1.065 . . . . 25.0 108.126 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -69.06 -36.73 78.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -68.12 -36.45 79.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.0 tpp -63.82 -40.1 95.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.198 0.523 . . . . 25.0 109.865 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.78 -32.19 73.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.793 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.15 -37.52 81.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.71 -45.98 86.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.96 -43.58 94.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.963 0.411 . . . . 25.0 110.132 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.53 91.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.243 -0.286 . . . . 25.0 110.722 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.57 97.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.698 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.7 -41.66 87.65 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.59 0.71 . . . . 25.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.86 -44.04 97.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.262 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -78.61 -31.74 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.875 1.806 . . . . 25.0 115.875 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 20.9 ptp -62.33 -31.8 72.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 119.226 0.921 . . . . 25.0 110.206 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 24.5 m -64.66 -31.35 72.54 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.922 -0.581 . . . . 25.0 109.883 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -69.46 -39.65 77.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.423 -0.798 . . . . 25.0 109.071 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -64.21 -44.44 91.9 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.898 -0.321 . . . . 25.0 111.51 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 21.8 m -67.86 -34.23 66.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.526 0.565 . . . . 25.0 112.526 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 82.5 mt . . . . . 0 C--N 1.324 -0.534 0 N-CA-C 112.528 0.566 . . . . 25.0 112.528 179.093 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.582 0.23 . . . . 25.0 111.125 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -33.58 76.14 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 122.219 -0.301 . . . . 25.0 111.151 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -59.29 -36.52 75.72 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.993 -0.683 . . . . 25.0 110.333 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.95 -45.52 50.67 Favored Glycine 0 C--O 1.218 -0.853 0 N-CA-C 108.885 -1.686 . . . . 25.0 108.885 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.1 67.04 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 111.927 0.343 . . . . 25.0 111.927 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -67.3 -43.77 80.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.056 0.455 . . . . 25.0 111.368 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.32 87.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.135 0.493 . . . . 25.0 110.275 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.21 -27.5 29.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 C-N-CA 120.907 -0.317 . . . . 25.0 110.84 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.94 68.44 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.225 0.466 . . . . 25.0 111.277 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.15 90.03 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.77 -35.93 67.55 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 120.621 0.248 . . . . 25.0 110.623 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.423 ' HA ' HG12 ' A' ' 476' ' ' VAL . 58.8 mm-40 -67.53 -46.42 72.88 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -64.0 -27.69 69.3 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.43 -52.58 15.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.108 176.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.5 p -63.36 -36.43 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 118.684 0.675 . . . . 25.0 109.846 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -63.6 -34.96 78.99 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.067 -0.515 . . . . 25.0 110.298 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.34 97.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.216 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.62 -34.62 57.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.33 -27.05 63.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.373 0.606 . . . . 25.0 109.726 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.05 -41.32 22.81 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.25 0.548 . . . . 25.0 110.245 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.5 mtm -62.56 -28.18 69.69 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.475 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 37.9 p -76.8 -37.49 55.68 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 119.167 -1.013 . . . . 25.0 110.073 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -77.89 -28.49 49.89 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.423 -0.511 . . . . 25.0 110.01 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.331 -0.201 0 N-CA-C 108.82 -0.808 . . . . 25.0 108.82 175.039 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 . . . . . 0 C--O 1.211 -0.922 0 CA-C-O 121.099 0.476 . . . . 25.0 110.911 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.29 -33.41 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.052 0.453 . . . . 25.0 110.169 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.7 m -67.26 -39.23 86.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.853 -0.339 . . . . 25.0 110.305 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.4 -34.18 65.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.401 0.619 . . . . 25.0 109.654 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 45.9 ttm -58.83 -34.33 71.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.999 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.95 82.27 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.888 0.375 . . . . 25.0 110.205 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.89 -38.99 66.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.21 -45.83 97.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -62.4 -39.36 92.99 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.056 -0.403 . . . . 25.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.57 91.55 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.51 90.8 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.453 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.34 -43.91 92.7 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 122.235 1.017 . . . . 25.0 109.43 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 67.6 mt -61.25 -44.52 97.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.49 -1.232 . . . . 25.0 112.053 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -73.67 -32.14 63.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.778 0.717 . . . . 25.0 111.803 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 3.9 tpp -63.4 -37.8 88.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 54.9 m -60.45 -36.25 77.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -67.4 -44.25 79.29 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -62.31 -43.27 99.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.23 -38.36 79.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.575 -0.45 . . . . 25.0 111.467 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.0 mt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 122.019 -0.426 . . . . 25.0 110.561 178.571 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.402 0 CA-C-O 120.473 0.177 . . . . 25.0 110.608 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -37.19 84.33 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 120.794 -0.362 . . . . 25.0 110.843 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -59.97 -35.13 74.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.494 0.588 . . . . 25.0 110.422 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.46 -49.48 50.78 Favored Glycine 0 C--O 1.214 -1.113 0 N-CA-C 108.103 -1.999 . . . . 25.0 108.103 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.53 64.41 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -74.13 -43.48 57.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.017 0.437 . . . . 25.0 110.739 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.13 99.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.189 0.519 . . . . 25.0 109.958 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.8 m -70.07 -31.42 47.59 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.322 0 C-N-CA 120.37 -0.532 . . . . 25.0 109.982 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.9 76.44 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.876 0.762 . . . . 25.0 111.019 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.05 85.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -71.98 -31.7 66.51 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.693 -0.23 . . . . 25.0 111.148 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.4 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.6 mm-40 -71.52 -44.76 64.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.924 -0.485 . . . . 25.0 110.676 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -65.47 -28.5 69.25 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.79 -51.91 29.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.158 -0.474 . . . . 25.0 110.635 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.1 p -62.99 -35.52 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.366 0.603 . . . . 25.0 109.51 -176.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -62.84 -37.06 85.31 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.795 -0.639 . . . . 25.0 110.433 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.88 87.91 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.187 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.09 -35.22 67.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.33 -27.52 64.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.11 -43.43 19.44 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 120.984 0.421 . . . . 25.0 110.786 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 40.4 mtm -59.77 -24.63 64.24 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 115.934 -0.575 . . . . 25.0 112.158 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.1 p -78.8 -23.8 44.94 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.268 -0.973 . . . . 25.0 109.978 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -89.84 -43.72 10.43 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.978 -0.556 . . . . 25.0 110.74 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.748 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 . . . . . 0 C--O 1.215 -0.752 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.66 -35.87 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.172 0.511 . . . . 25.0 110.086 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 60.4 m -65.39 -40.78 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.038 -0.414 . . . . 25.0 110.026 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.52 -35.73 73.35 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 49.8 ttm -59.85 -40.6 89.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.924 0.392 . . . . 25.0 110.851 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.2 -33.41 75.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.214 0.53 . . . . 25.0 110.149 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.36 -36.74 71.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 87.8 t -64.54 -45.58 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 178.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -57.87 -47.25 83.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.327 0.584 . . . . 25.0 110.206 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.39 96.21 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 122.128 -0.357 . . . . 25.0 110.571 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.39 79.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.124 -0.489 . . . . 25.0 112.031 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -68.99 -34.78 75.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.758 -0.777 . . . . 25.0 110.333 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.46 -44.67 93.81 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.796 -0.446 . . . . 25.0 109.796 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -73.88 -32.12 63.46 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.186 -1.006 . . . . 25.0 113.259 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 56.5 mtm -65.4 -33.81 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.507 0.594 . . . . 25.0 109.673 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.6 m -59.35 -36.66 76.13 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -67.35 -40.19 85.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.455 -0.778 . . . . 25.0 109.769 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -64.29 -44.13 92.64 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.607 -0.437 . . . . 25.0 111.786 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.97 -32.19 53.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.4 mt . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 111.699 0.259 . . . . 25.0 111.699 177.036 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.272 0 N-CA-C 109.881 -0.414 . . . . 25.0 109.881 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -38.96 92.84 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 110.197 -0.297 . . . . 25.0 110.197 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -59.76 -34.9 73.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 119.175 0.898 . . . . 25.0 110.558 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.89 -49.41 42.11 Favored Glycine 0 C--O 1.215 -1.055 0 N-CA-C 109.441 -1.464 . . . . 25.0 109.441 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.21 -36.74 66.27 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -76.79 -36.95 56.63 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.04 82.26 Favored 'General case' 0 C--N 1.311 -1.073 0 O-C-N 124.505 1.128 . . . . 25.0 110.298 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 24.2 m -69.09 -30.1 45.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.113 -0.494 . . . . 25.0 110.32 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.56 -34.2 64.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.196 0.453 . . . . 25.0 111.414 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.56 87.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.81 0.338 . . . . 25.0 110.221 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.66 -34.56 67.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.65 -0.25 . . . . 25.0 110.785 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.443 ' HA ' HG12 ' A' ' 476' ' ' VAL . 39.0 mm-40 -68.43 -45.77 71.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.008 0.432 . . . . 25.0 111.729 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -63.49 -26.58 68.78 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.76 -51.4 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.726 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.3 p -63.5 -36.93 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 118.718 0.69 . . . . 25.0 109.492 -176.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -63.49 -35.2 79.67 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.848 -0.615 . . . . 25.0 110.091 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.22 92.7 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.519 -0.472 . . . . 25.0 110.183 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.04 -34.87 61.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.91 64.39 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.439 0.637 . . . . 25.0 109.67 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.35 -42.33 20.69 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.361 0.6 . . . . 25.0 110.383 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.3 mtm -61.13 -26.56 67.76 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-N 116.139 -0.482 . . . . 25.0 111.584 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.1 p -77.47 -37.13 52.0 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 119.323 -0.951 . . . . 25.0 110.325 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -79.17 -27.6 42.69 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.475 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 . . . . . 0 N--CA 1.445 -0.685 0 O-C-N 121.746 -0.596 . . . . 25.0 110.083 175.248 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 . . . . . 0 C--O 1.21 -1.003 0 N-CA-C 109.531 -0.544 . . . . 25.0 109.531 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.3 -32.25 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.27 0.557 . . . . 25.0 109.609 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 44.0 m -70.9 -38.7 73.0 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.724 -0.391 . . . . 25.0 110.516 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -72.65 -32.9 66.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.613 0.72 . . . . 25.0 109.613 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.6 mtp -60.44 -41.49 94.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.117 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.33 -32.99 74.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.981 0.419 . . . . 25.0 110.686 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.81 60.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.48 -0.327 . . . . 25.0 110.923 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.07 -35.51 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 121.01 -0.276 . . . . 25.0 110.459 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.13 -43.51 82.44 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.3 88.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.934 -0.306 . . . . 25.0 110.712 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.89 79.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.713 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.13 -44.15 89.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.194 0.521 . . . . 25.0 109.786 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.85 -40.75 96.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.029 -0.532 . . . . 25.0 111.504 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -73.77 -29.24 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.576 -0.85 . . . . 25.0 111.623 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 27.9 mtm -63.49 -37.57 87.79 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.088 -0.383 . . . . 25.0 110.769 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 4.3 m -57.93 -31.88 67.25 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.022 0.915 . . . . 25.0 110.761 176.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -72.01 -36.77 69.81 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.821 -0.549 . . . . 25.0 110.377 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -66.49 -41.62 88.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.92 -40.1 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.905 -1.043 . . . . 25.0 110.965 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 17.2 mt . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 113.041 0.756 . . . . 25.0 113.041 178.485 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 110.163 -0.31 . . . . 25.0 110.163 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -32.04 73.53 Favored 'General case' 0 C--O 1.213 -0.85 0 O-C-N 121.996 -0.44 . . . . 25.0 110.335 179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -61.58 -30.02 70.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.589 -0.694 . . . . 25.0 111.147 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.85 -42.8 37.05 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 107.652 -2.179 . . . . 25.0 107.652 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.6 68.82 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 120.889 0.376 . . . . 25.0 111.165 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.0 -43.11 83.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.038 0.447 . . . . 25.0 111.272 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.25 85.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.875 0.369 . . . . 25.0 110.14 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 14.1 m -68.84 -31.21 49.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.91 67.61 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 118.279 0.491 . . . . 25.0 111.718 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.93 88.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.85 65.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.82 0.343 . . . . 25.0 110.441 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.439 ' HA ' HG12 ' A' ' 476' ' ' VAL . 37.6 mm-40 -68.97 -44.49 72.82 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 -177.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 46.3 ptt85 -64.42 -28.75 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.71 -53.37 11.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.352 -0.84 . . . . 25.0 110.856 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -62.58 -36.73 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 118.599 0.636 . . . . 25.0 109.524 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -63.43 -36.53 84.03 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.175 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.98 91.03 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.506 -0.478 . . . . 25.0 110.198 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.13 -33.26 41.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.374 -0.53 . . . . 25.0 109.914 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.02 -29.53 67.33 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.3 -44.8 35.38 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 109.616 -0.513 . . . . 25.0 109.616 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 41.1 mtm -62.11 -31.37 71.82 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.362 0.601 . . . . 25.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 29.7 p -80.22 -31.33 38.64 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.408 -0.917 . . . . 25.0 110.006 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -79.95 -30.92 39.98 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 119.578 -0.849 . . . . 25.0 110.543 175.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 118.682 0.674 . . . . 25.0 109.633 177.456 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 . . . . . 0 C--O 1.208 -1.127 0 CA-C-O 121.039 0.447 . . . . 25.0 110.053 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 18.3 t -71.8 -36.04 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 57.6 m -65.6 -38.33 89.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.443 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.38 -36.21 68.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.359 0.599 . . . . 25.0 109.461 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 44.1 ttm -60.39 -38.27 83.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.139 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.46 74.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 25.0 110.685 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.14 70.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.89 -42.89 92.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -59.44 -42.93 93.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 25.0 110.205 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.46 94.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.407 -0.22 . . . . 25.0 110.407 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.11 97.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.681 -0.236 . . . . 25.0 110.948 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.1 -44.58 96.34 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.679 0.752 . . . . 25.0 109.511 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.77 -41.48 99.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.684 -0.689 . . . . 25.0 112.41 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -75.8 -32.17 59.75 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 119.631 -0.828 . . . . 25.0 111.627 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 59.0 mtm -65.32 -33.3 75.66 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.103 -0.373 . . . . 25.0 110.167 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.7 m -56.85 -38.21 72.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.335 0.588 . . . . 25.0 109.582 176.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -67.9 -36.2 79.8 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.421 -0.799 . . . . 25.0 110.575 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -66.46 -44.12 83.63 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.796 -0.362 . . . . 25.0 110.779 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 20.6 m -69.33 -31.59 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--N 1.323 -0.567 0 N-CA-C 109.165 -0.68 . . . . 25.0 109.165 177.01 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -39.97 94.08 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.699 -0.401 . . . . 25.0 110.335 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -62.76 -34.43 77.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 118.749 0.704 . . . . 25.0 111.096 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.41 -47.93 67.02 Favored Glycine 0 C--O 1.22 -0.748 0 N-CA-C 108.29 -1.924 . . . . 25.0 108.29 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.26 -39.54 69.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.643 0.258 . . . . 25.0 111.299 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -65.46 -44.71 86.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.999 0.428 . . . . 25.0 110.853 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.91 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.06 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.6 m -70.36 -27.18 30.83 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 C-N-CA 120.444 -0.503 . . . . 25.0 110.695 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.77 70.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.503 0.592 . . . . 25.0 110.359 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.57 84.01 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.1 66.64 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 120.563 0.221 . . . . 25.0 111.028 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.427 ' HA ' HG12 ' A' ' 476' ' ' VAL . 36.8 mm-40 -68.91 -45.23 71.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.884 -0.51 . . . . 25.0 111.722 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.07 -26.7 68.67 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.3 tp -74.57 -51.16 15.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.62 -0.718 . . . . 25.0 111.375 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.3 p -63.26 -36.85 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 118.616 0.643 . . . . 25.0 109.495 -176.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -64.8 -34.69 78.95 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.707 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.7 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.773 -0.58 . . . . 25.0 110.088 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.64 -34.83 58.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.95 -26.56 64.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.349 0.595 . . . . 25.0 109.476 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -80.81 -42.21 22.05 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 109.669 -0.493 . . . . 25.0 109.669 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.6 mtm -60.94 -30.76 70.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.8 0.333 . . . . 25.0 111.458 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 32.8 p -75.33 -36.87 61.0 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.655 -0.818 . . . . 25.0 109.889 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -82.65 -26.46 32.13 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.479 -0.488 . . . . 25.0 111.355 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 C--O 1.222 -0.363 0 CA-C-N 118.901 0.773 . . . . 25.0 110.309 178.192 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 . . . . . 0 C--O 1.215 -0.727 0 CA-C-O 120.575 0.226 . . . . 25.0 111.421 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 48.9 t -74.24 -32.9 33.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.5 m -68.37 -38.44 81.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -70.02 -33.32 71.86 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.252 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 42.0 ttm -62.37 -37.14 84.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.732 0.301 . . . . 25.0 110.601 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.96 -34.05 77.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.44 -36.0 73.7 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.81 -44.33 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -60.78 -43.71 97.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.143 0.497 . . . . 25.0 109.8 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.22 91.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.746 -0.596 . . . . 25.0 110.55 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.73 79.57 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.787 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.66 -31.08 71.53 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.031 -0.668 . . . . 25.0 110.532 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.36 -45.64 83.33 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.057 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -73.7 -30.3 62.77 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.776 -0.77 . . . . 25.0 111.0 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 5.4 tpp -59.41 -44.48 92.82 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 56.6 m -60.16 -40.71 90.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.304 0.574 . . . . 25.0 111.081 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.33 -43.56 98.54 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.474 0.654 . . . . 25.0 109.923 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.48 -43.69 84.72 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.041 -0.981 . . . . 25.0 110.943 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.01 -37.18 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 124.29 1.036 . . . . 25.0 112.797 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -179.521 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 110.19 -0.3 . . . . 25.0 110.19 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -37.65 85.44 Favored 'General case' 0 C--O 1.214 -0.809 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.569 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.54 -36.68 76.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.327 0.512 . . . . 25.0 110.059 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.56 -48.81 54.73 Favored Glycine 0 C--O 1.218 -0.898 0 N-CA-C 108.712 -1.755 . . . . 25.0 108.712 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.83 -37.84 64.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -71.21 -41.79 69.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.07 0.462 . . . . 25.0 110.952 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.03 81.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.167 0.508 . . . . 25.0 110.57 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.17 -26.55 32.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.523 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.64 -33.82 66.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.143 0.429 . . . . 25.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.33 90.56 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.802 -0.444 . . . . 25.0 109.802 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.79 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.65 -0.25 . . . . 25.0 110.719 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.453 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.8 mm-40 -70.79 -46.05 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.974 -0.454 . . . . 25.0 111.693 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.19 -27.66 69.51 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.17 -52.27 14.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.775 -0.648 . . . . 25.0 111.052 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.8 p -63.2 -36.23 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.754 0.706 . . . . 25.0 109.617 -176.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.79 -35.2 79.83 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.277 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.18 97.7 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.539 -0.464 . . . . 25.0 110.129 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.9 -34.26 55.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.93 63.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.407 0.623 . . . . 25.0 109.734 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.3 mt -80.35 -42.34 23.08 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 121.131 0.491 . . . . 25.0 109.931 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.2 mtm -62.44 -27.6 69.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.972 0.415 . . . . 25.0 111.685 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.4 p -77.37 -33.17 55.29 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.441 -0.903 . . . . 25.0 110.556 -175.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.58 -35.33 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.48 -0.488 . . . . 25.0 110.181 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 C--O 1.22 -0.483 0 O-C-N 121.948 -0.47 . . . . 25.0 110.368 178.559 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 . . . . . 0 C--O 1.212 -0.883 0 CA-C-O 120.458 0.17 . . . . 25.0 110.981 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.52 -33.42 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.985 -0.447 . . . . 25.0 109.9 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 36.6 m -69.17 -36.9 77.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.819 -0.551 . . . . 25.0 110.882 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.22 -31.25 60.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 55.0 ttp -63.38 -42.49 98.85 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.2 -32.56 74.31 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.236 0.541 . . . . 25.0 110.726 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.78 -46.23 63.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.743 0.306 . . . . 25.0 111.166 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.95 -33.08 53.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 122.387 -0.195 . . . . 25.0 110.755 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -57.2 -45.68 83.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.35 85.28 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.815 -0.553 . . . . 25.0 110.486 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.81 79.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.081 -0.508 . . . . 25.0 111.823 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.7 -31.61 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.585 -0.697 . . . . 25.0 109.668 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.59 -43.64 98.3 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.641 -0.424 . . . . 25.0 109.858 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -73.7 -32.48 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.219 -0.992 . . . . 25.0 112.474 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 50.5 mtm -66.62 -33.97 76.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.228 0.467 . . . . 25.0 110.315 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.8 m -58.56 -36.68 74.28 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -65.84 -41.39 91.81 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.547 -0.72 . . . . 25.0 109.83 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -63.39 -44.94 93.25 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.726 -0.39 . . . . 25.0 111.555 -178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.2 m -70.29 -34.68 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 73.4 mt . . . . . 0 C--N 1.322 -0.62 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 177.846 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.366 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -37.27 85.84 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.869 -0.333 . . . . 25.0 110.593 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.91 -32.39 72.78 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.725 -0.609 . . . . 25.0 111.004 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.07 -47.04 76.48 Favored Glycine 0 C--O 1.22 -0.726 0 N-CA-C 107.968 -2.053 . . . . 25.0 107.968 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.37 -39.03 63.89 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.994 0.426 . . . . 25.0 112.137 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -67.44 -42.29 83.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.11 0.481 . . . . 25.0 111.893 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.18 72.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.191 0.52 . . . . 25.0 111.265 -177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 23.0 m -67.95 -26.7 35.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 CA-C-N 116.187 -0.46 . . . . 25.0 111.136 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -51.25 -38.07 50.57 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.1 -36.75 85.03 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.955 0.407 . . . . 25.0 110.752 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -31.8 65.3 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.214 -0.304 . . . . 25.0 110.259 176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.459 ' HA ' HG12 ' A' ' 476' ' ' VAL . 60.8 mm-40 -71.23 -46.13 61.75 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 122.178 -0.326 . . . . 25.0 111.682 -177.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -61.32 -29.84 70.13 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -51.37 21.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.492 . . . . 25.0 110.497 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.8 p -64.58 -35.62 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -63.59 -36.81 85.02 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.284 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.56 83.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.41 -34.5 66.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.88 -30.19 68.84 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.73 -42.8 27.28 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 120.811 0.339 . . . . 25.0 110.958 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 30.6 mtm -58.25 -24.95 61.02 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.168 0.509 . . . . 25.0 111.709 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 42.6 p -82.3 -20.17 37.96 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.439 -0.904 . . . . 25.0 110.994 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -89.29 -35.15 16.3 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.324 -0.542 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 173.303 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.22 -0.478 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.29 -34.51 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.9 m -66.48 -43.84 84.32 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.171 -0.33 . . . . 25.0 110.969 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -71.92 -34.24 68.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.03 0.443 . . . . 25.0 109.928 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttp -64.83 -39.14 93.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.115 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -69.74 -35.12 74.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.103 0.478 . . . . 25.0 110.307 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -66.51 -46.49 76.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.268 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.48 -36.79 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 121.002 -0.279 . . . . 25.0 110.473 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -58.1 -47.17 84.04 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.76 90.83 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.183 -0.323 . . . . 25.0 110.905 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.34 72.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.847 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.92 -31.17 67.72 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.75 -0.78 . . . . 25.0 110.412 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.8 -44.67 96.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.083 -0.247 . . . . 25.0 110.415 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -73.74 -37.83 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.558 -0.857 . . . . 25.0 111.596 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 60.3 mtm -61.26 -40.76 95.29 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 121.957 -0.465 . . . . 25.0 111.409 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 64.8 m -56.76 -35.65 68.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.254 0.549 . . . . 25.0 111.504 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -68.63 -47.57 66.28 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.74 -0.6 . . . . 25.0 109.876 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -39.34 94.31 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.37 -49.21 84.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.447 -0.797 . . . . 25.0 110.654 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 62.5 mt . . . . . 0 C--N 1.322 -0.6 0 O-C-N 122.044 -0.41 . . . . 25.0 111.303 -179.666 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 110.201 -0.296 . . . . 25.0 110.201 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -37.21 84.28 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 120.739 -0.384 . . . . 25.0 110.353 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -59.66 -34.76 73.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 118.854 0.752 . . . . 25.0 110.721 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.68 -48.62 54.99 Favored Glycine 0 C--O 1.216 -0.999 0 N-CA-C 108.343 -1.903 . . . . 25.0 108.343 176.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.78 -37.06 65.57 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -71.04 -43.38 67.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.176 0.513 . . . . 25.0 110.812 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.92 92.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 25.0 110.189 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.4 m -69.8 -31.45 48.38 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.171 0 C-N-CA 120.43 -0.508 . . . . 25.0 109.825 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.8 72.34 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.704 0.684 . . . . 25.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.54 84.62 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 177.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.73 67.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.52 0.2 . . . . 25.0 111.404 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -69.53 -44.56 70.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.183 0.516 . . . . 25.0 111.11 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 49.7 ptt85 -65.83 -28.14 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -51.57 27.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.67 -0.695 . . . . 25.0 110.608 177.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 11.8 p -62.83 -35.96 73.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 118.555 0.616 . . . . 25.0 109.432 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -62.87 -35.82 81.25 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.745 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.77 90.84 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.797 -0.361 . . . . 25.0 110.372 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -69.66 -35.3 65.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.97 63.75 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.32 -42.38 20.67 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.028 0.442 . . . . 25.0 111.146 175.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 40.7 mtm -59.36 -24.76 63.67 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.58 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 40.1 p -78.83 -27.38 44.28 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 119.549 -0.86 . . . . 25.0 110.174 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -81.68 -36.66 28.48 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 . . . . . 0 N--CA 1.448 -0.526 0 N-CA-C 107.979 -1.119 . . . . 25.0 107.979 173.535 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 . . . . . 0 C--O 1.218 -0.574 0 N-CA-C 108.463 -0.94 . . . . 25.0 108.463 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.56 -32.65 50.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.773 -0.648 . . . . 25.0 110.284 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.2 m -66.48 -37.65 85.57 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.806 -0.559 . . . . 25.0 111.837 177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.19 -36.48 61.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.08 0.943 . . . . 25.0 108.832 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 19.0 ttp -66.31 -26.7 67.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.642 -0.708 . . . . 25.0 110.279 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.7 71.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.077 -0.39 . . . . 25.0 110.579 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.43 80.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.255 -1.017 . . . . 25.0 108.255 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.48 -45.42 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.78 -44.91 86.57 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.699 0.285 . . . . 25.0 110.335 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.2 91.92 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 121.036 -0.266 . . . . 25.0 110.554 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.23 82.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.87 -42.95 97.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 25.0 109.734 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.35 -41.32 98.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.803 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -74.64 -33.68 62.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.102 -1.039 . . . . 25.0 112.021 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 67.7 mtm -66.4 -33.03 74.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.42 0.555 . . . . 25.0 109.921 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.8 m -57.47 -35.7 70.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -67.22 -43.38 82.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.456 -0.777 . . . . 25.0 109.637 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -64.05 -41.65 97.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 22.1 m -69.1 -31.38 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.536 -0.466 . . . . 25.0 111.942 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 175.529 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.62 -35.2 79.61 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.339 -0.544 . . . . 25.0 111.668 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.68 -26.22 68.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.592 -0.843 . . . . 25.0 110.997 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -76.19 -42.7 23.15 Favored Glycine 0 C--O 1.223 -0.581 0 N-CA-C 108.284 -1.926 . . . . 25.0 108.284 173.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.13 71.53 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.197 0.522 . . . . 25.0 111.731 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.6 -41.86 98.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.046 0.451 . . . . 25.0 110.911 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.73 65.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.348 -0.387 . . . . 25.0 111.162 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.1 m -68.93 -26.57 32.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.115 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.909 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.01 64.49 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.295 0.498 . . . . 25.0 111.719 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.06 74.9 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.73 -38.02 67.57 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.495 ' HA ' HG12 ' A' ' 476' ' ' VAL . 13.3 mt-30 -69.63 -45.42 68.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.287 0.565 . . . . 25.0 112.245 -175.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -62.69 -26.1 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.606 -0.684 . . . . 25.0 109.637 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.28 -50.14 15.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.762 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 473' ' ' GLN . 9.2 p -63.8 -38.7 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -62.68 -34.22 76.68 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.283 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.56 99.72 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.688 -0.633 . . . . 25.0 110.019 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 476' ' ' VAL . 3.9 mt -71.92 -33.6 48.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.55 -26.93 62.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.587 0.708 . . . . 25.0 109.841 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.7 mt -80.6 -41.92 23.15 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.477 0.656 . . . . 25.0 109.728 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.2 mtm -63.65 -26.63 68.76 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 116.259 -0.428 . . . . 25.0 111.771 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.2 p -75.5 -37.3 60.24 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.507 -0.877 . . . . 25.0 109.593 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -80.23 -34.89 36.87 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.852 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 N--CA 1.448 -0.537 0 O-C-N 121.875 -0.516 . . . . 25.0 109.916 178.145 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 C--O 1.22 -0.487 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 27.5 t -66.26 -35.9 76.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 109.983 -0.377 . . . . 25.0 109.983 178.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 46.0 m -67.37 -40.45 85.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 25.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -71.58 -33.68 69.26 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 37.0 ttp -66.12 -38.52 88.39 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.532 -0.544 . . . . 25.0 109.532 178.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.71 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.012 0.434 . . . . 25.0 110.642 177.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.77 -45.99 66.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.835 0.35 . . . . 25.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.3 p -71.16 -31.25 43.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-O 120.621 0.248 . . . . 25.0 110.861 -178.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -53.27 -43.18 67.23 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 120.765 0.317 . . . . 25.0 110.691 176.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.1 87.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.044 0.45 . . . . 25.0 110.698 -179.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -71.53 -41.73 68.8 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.318 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.14 -41.07 97.91 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.735 0.779 . . . . 25.0 109.671 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.04 -45.59 92.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.482 -0.781 . . . . 25.0 111.587 178.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -73.71 -32.15 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.848 -0.741 . . . . 25.0 111.381 178.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.5 tpp -60.34 -41.18 93.08 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.753 -0.832 . . . . 25.0 108.753 176.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 47.9 m -61.22 -37.43 82.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.369 -0.378 . . . . 25.0 110.297 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -67.61 -43.04 81.38 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 177.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -61.35 -45.4 94.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -178.001 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.5 -35.3 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 -178.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 77.5 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.596 0.236 . . . . 25.0 110.366 178.142 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -35.11 78.32 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 119.451 -0.309 . . . . 25.0 111.453 -178.024 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.97 -27.61 68.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.246 -0.982 . . . . 25.0 110.739 178.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.77 -45.79 50.14 Favored Glycine 0 C--O 1.218 -0.881 0 N-CA-C 107.167 -2.373 . . . . 25.0 107.167 174.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.27 68.98 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.761 0.315 . . . . 25.0 111.408 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -66.75 -42.67 85.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.004 0.431 . . . . 25.0 111.501 178.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.68 82.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.121 0.486 . . . . 25.0 110.301 -178.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.64 -26.5 28.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.464 -0.335 . . . . 25.0 110.632 -179.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.1 64.82 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 117.924 0.329 . . . . 25.0 111.758 -178.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.39 94.35 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 177.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -33.55 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.711 0.291 . . . . 25.0 110.623 177.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.414 ' HA ' HG12 ' A' ' 476' ' ' VAL . 82.0 mm-40 -70.11 -45.83 66.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.04 0.447 . . . . 25.0 111.573 -179.051 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -64.29 -27.03 68.75 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.12 -0.632 . . . . 25.0 109.436 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.62 -51.44 23.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.969 -0.56 . . . . 25.0 110.342 177.291 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.1 p -63.69 -36.55 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -177.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -64.25 -35.02 79.47 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.002 -0.544 . . . . 25.0 110.333 177.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.16 92.78 Favored 'General case' 0 C--O 1.223 -0.34 0 O-C-N 121.923 -0.486 . . . . 25.0 110.351 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -71.58 -32.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 -179.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.54 -27.49 67.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.2 mt -79.15 -44.15 22.54 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 177.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 43.8 mtm -60.48 -29.49 69.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.12 0.486 . . . . 25.0 111.53 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 21.5 p -80.5 -32.64 36.9 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.918 -0.713 . . . . 25.0 110.647 -176.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -81.37 -29.44 34.02 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 119.877 -0.729 . . . . 25.0 110.109 175.13 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 C--O 1.222 -0.382 0 O-C-N 121.704 -0.623 . . . . 25.0 109.772 178.186 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 . . . . . 0 C--O 1.217 -0.609 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.12 -35.04 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.123 -0.49 . . . . 25.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 12.0 t -69.06 -40.45 78.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.867 0.365 . . . . 25.0 110.2 178.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -67.23 -35.27 79.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.32 -0.993 . . . . 25.0 108.32 178.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -36.8 84.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.21 -0.45 . . . . 25.0 110.577 179.01 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.56 -30.22 69.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.792 -0.448 . . . . 25.0 109.792 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.64 80.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 177.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 64.7 t -66.16 -45.29 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 177.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -58.79 -42.42 89.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 25.0 110.161 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.69 90.8 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.25 -0.281 . . . . 25.0 111.441 178.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.6 92.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.59 -45.76 92.79 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.74 -44.38 93.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.731 -0.668 . . . . 25.0 112.38 -179.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.81 -35.22 64.85 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.532 -0.867 . . . . 25.0 111.871 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.28 -39.55 92.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.413 0.551 . . . . 25.0 110.186 178.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 95.0 m -53.14 -32.94 50.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.297 0.57 . . . . 25.0 111.294 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -62.03 -48.72 79.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.027 0.442 . . . . 25.0 111.032 -178.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -72.49 -40.18 67.09 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 179.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -57.16 -44.53 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.249 -0.887 . . . . 25.0 112.969 -178.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 55.1 mt . . . . . 0 C--N 1.322 -0.59 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -178.36 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 120.335 0.112 . . . . 25.0 111.111 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.2 -36.97 82.84 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.399 -0.52 . . . . 25.0 111.406 -178.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.55 -28.23 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.621 -0.674 . . . . 25.0 109.335 178.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.86 -46.24 68.55 Favored Glycine 0 C--O 1.216 -1.014 0 N-CA-C 107.729 -2.148 . . . . 25.0 107.729 175.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.18 -36.72 66.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 117.02 0.41 . . . . 25.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -71.98 -41.51 67.57 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 113.284 0.846 . . . . 25.0 113.284 179.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.05 81.54 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.349 -0.841 . . . . 25.0 111.241 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.1 m -67.71 -26.59 35.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 116.224 -0.443 . . . . 25.0 110.532 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.82 -32.29 65.58 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.156 0.434 . . . . 25.0 110.961 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.82 -38.27 88.49 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 177.271 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.76 66.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.622 -0.263 . . . . 25.0 110.536 177.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.447 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.0 mm-40 -69.56 -46.45 66.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.072 -0.392 . . . . 25.0 111.664 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -63.6 -27.52 69.3 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 178.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.57 -52.5 15.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.64 . . . . 25.0 110.756 177.224 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -63.35 -36.0 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 118.675 0.671 . . . . 25.0 109.556 -176.057 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -63.29 -35.34 80.02 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.009 -0.542 . . . . 25.0 110.344 178.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.4 96.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.116 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -70.7 -34.73 57.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 109.662 -0.495 . . . . 25.0 109.662 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.05 -26.97 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.261 0.553 . . . . 25.0 109.904 178.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.6 mt -80.05 -43.51 21.73 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.681 -0.489 . . . . 25.0 109.681 176.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.8 mtm -61.2 -28.57 69.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.088 0.471 . . . . 25.0 111.571 -179.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.6 p -77.25 -15.23 59.55 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.12 -0.632 . . . . 25.0 111.904 -175.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -107.03 -36.82 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.097 0.248 . . . . 25.0 110.907 174.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.328 -0.349 0 O-C-N 122.025 -0.422 . . . . 25.0 110.875 179.437 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 . . . . . 0 C--O 1.209 -1.048 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.94 -33.88 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.062 0.458 . . . . 25.0 110.28 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 46.7 m -67.17 -39.72 86.49 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 178.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -74.88 -29.68 61.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.202 178.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.3 ttm -60.55 -38.79 85.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 25.0 109.902 178.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.15 72.23 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.024 0.44 . . . . 25.0 110.673 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.05 68.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.212 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.81 -43.3 86.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -58.77 -43.99 90.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.242 0.544 . . . . 25.0 109.688 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.52 94.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.824 -0.548 . . . . 25.0 110.506 178.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.25 87.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.268 -0.423 . . . . 25.0 111.874 -178.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.76 -33.3 73.67 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.724 -0.79 . . . . 25.0 110.27 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.99 -37.63 86.44 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 122.031 -0.418 . . . . 25.0 111.062 178.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.67 -32.16 53.01 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 119.535 -0.866 . . . . 25.0 111.38 175.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 57.3 mtm -65.19 -31.48 72.68 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.455 -0.778 . . . . 25.0 110.227 177.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 86.2 m -55.42 -29.48 58.66 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.667 0.746 . . . . 25.0 110.329 177.01 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -69.24 -42.6 75.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.466 -0.771 . . . . 25.0 109.747 -179.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.24 -34.83 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.73 -0.47 . . . . 25.0 109.73 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.03 -40.25 80.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 25.0 109.844 177.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 112.983 0.735 . . . . 25.0 112.983 178.85 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 110.162 -0.31 . . . . 25.0 110.162 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -38.89 86.61 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 119.218 -0.42 . . . . 25.0 110.94 -179.455 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -56.34 -40.24 74.13 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.125 0.875 . . . . 25.0 110.785 177.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.14 -49.74 38.3 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 109.594 -1.403 . . . . 25.0 109.594 177.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.02 -37.11 66.22 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -179.03 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -72.22 -42.94 65.16 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.997 -0.44 . . . . 25.0 110.31 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.42 91.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 25.0 110.022 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -70.67 -30.5 42.52 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.195 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.88 -35.89 71.63 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.885 0.766 . . . . 25.0 110.927 -179.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.43 87.5 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 177.554 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.82 67.26 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.726 -0.215 . . . . 25.0 111.158 177.002 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.472 ' HA ' HG12 ' A' ' 476' ' ' VAL . 65.3 mm-40 -69.26 -45.66 69.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.723 -0.611 . . . . 25.0 112.334 -179.067 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.52 -27.2 68.99 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 178.519 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.6 tp -76.33 -51.8 11.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.681 177.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.5 p -63.05 -36.93 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 118.587 0.63 . . . . 25.0 110.016 -175.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -64.73 -34.16 77.68 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.437 178.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.43 98.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.508 -0.477 . . . . 25.0 109.723 179.624 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 476' ' ' VAL . 4.0 mt -70.11 -35.8 65.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 -179.449 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.36 -27.0 61.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.443 0.64 . . . . 25.0 109.66 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.9 -42.41 21.46 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.112 0.482 . . . . 25.0 109.871 177.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.1 mtm -60.78 -30.52 70.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.873 0.368 . . . . 25.0 110.785 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 30.6 p -78.11 -13.88 59.7 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.512 -0.475 . . . . 25.0 112.173 -176.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -107.33 -26.87 10.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.742 0.275 . . . . 25.0 111.742 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 N--CA 1.448 -0.548 0 CA-C-N 118.41 0.55 . . . . 25.0 110.206 175.182 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 C--O 1.206 -1.231 0 N-CA-C 110.15 -0.315 . . . . 25.0 110.15 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.84 -32.7 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 120.961 0.41 . . . . 25.0 110.254 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -66.24 -40.57 90.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 178.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -74.64 -31.29 61.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.473 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 23.8 ttm -61.62 -36.05 79.64 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.304 0.573 . . . . 25.0 110.866 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.06 75.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.637 179.357 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.1 69.81 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 178.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.56 -47.67 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.72 -46.04 91.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.852 0.358 . . . . 25.0 110.693 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.82 92.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.992 -0.442 . . . . 25.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.65 72.0 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 116.06 -0.518 . . . . 25.0 111.728 -178.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -69.85 -31.73 69.74 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.864 -0.734 . . . . 25.0 111.036 -177.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.43 -42.99 98.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 177.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -75.31 -32.4 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.114 -1.034 . . . . 25.0 112.405 176.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.8 tpp -59.81 -33.67 72.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.468 -0.568 . . . . 25.0 109.468 176.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 57.3 m -58.29 -33.87 69.93 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.102 0.477 . . . . 25.0 110.705 178.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -69.63 -47.95 61.65 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.117 -1.068 . . . . 25.0 108.117 178.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 -177.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.45 -33.08 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 116.363 -0.381 . . . . 25.0 111.946 178.351 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 110.484 -0.191 . . . . 25.0 110.484 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -35.38 80.43 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.588 -0.523 . . . . 25.0 109.588 179.379 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.18 -35.83 76.24 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.407 0.623 . . . . 25.0 109.991 176.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.91 -46.26 68.07 Favored Glycine 0 C--O 1.219 -0.803 0 N-CA-C 108.908 -1.677 . . . . 25.0 108.908 177.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.83 -39.6 65.72 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.617 0.367 . . . . 25.0 111.758 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -65.36 -44.73 86.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.237 0.542 . . . . 25.0 111.282 179.02 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.81 -44.2 74.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 25.0 111.534 -177.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.8 m -68.29 -26.64 34.4 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 116.582 -0.281 . . . . 25.0 110.757 -178.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -54.65 -34.02 61.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.71 0.232 . . . . 25.0 111.588 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.0 89.03 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.918 0.389 . . . . 25.0 110.417 177.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -37.05 67.81 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 177.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.452 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.9 mm-40 -65.7 -46.55 78.56 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.595 0.591 . . . . 25.0 112.595 -178.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -62.5 -27.77 69.37 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -52.58 10.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.915 177.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.6 p -63.64 -36.35 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 118.785 0.72 . . . . 25.0 109.875 -174.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -62.69 -36.17 82.06 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.09 178.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.88 91.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.344 -178.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.03 -33.82 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.173 -0.611 . . . . 25.0 109.98 -178.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.67 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.439 0.638 . . . . 25.0 109.44 179.387 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.49 -42.84 42.07 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 121.391 0.615 . . . . 25.0 110.124 178.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.2 mtm -63.76 -27.21 69.04 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 120.688 -0.405 . . . . 25.0 111.97 -179.376 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.5 p -83.17 -34.6 25.94 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.903 -0.719 . . . . 25.0 109.745 -176.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -79.58 -26.05 41.41 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.036 -0.666 . . . . 25.0 110.712 177.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.448 -0.525 0 O-C-N 121.71 -0.619 . . . . 25.0 111.476 176.838 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 . . . . . 0 C--O 1.211 -0.95 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.84 -34.8 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-O 120.843 0.354 . . . . 25.0 110.525 178.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 42.5 m -66.64 -39.87 88.45 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.542 -0.463 . . . . 25.0 109.795 179.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -75.81 -27.5 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.947 0.404 . . . . 25.0 110.539 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 40.5 ttm -58.6 -33.01 69.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.208 0.603 . . . . 25.0 111.364 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.48 77.48 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.22 0.533 . . . . 25.0 110.597 178.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.94 -34.81 59.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 178.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.98 -47.03 92.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 N-CA-C 108.763 -0.829 . . . . 25.0 108.763 178.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.8 -43.24 90.5 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.932 -0.307 . . . . 25.0 110.499 179.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.07 95.76 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.957 -0.297 . . . . 25.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.68 73.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.316 -0.402 . . . . 25.0 111.049 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.18 -44.62 96.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.563 0.697 . . . . 25.0 109.488 -179.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.0 -42.8 95.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.511 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.81 -34.8 64.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.167 -1.013 . . . . 25.0 112.37 178.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 73.1 mtm -64.28 -37.3 87.0 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 178.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 40.2 m -59.87 -39.19 84.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.003 0.43 . . . . 25.0 110.471 177.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -64.71 -47.63 77.6 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 178.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.42 -43.8 92.98 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.7 -1.136 . . . . 25.0 113.403 -178.019 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.3 m -69.99 -35.05 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 112.493 0.553 . . . . 25.0 112.493 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.855 0.359 . . . . 25.0 111.526 177.951 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.333 0 N-CA-C 110.219 -0.289 . . . . 25.0 110.219 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -35.48 80.67 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 120.795 -0.362 . . . . 25.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -56.89 -37.13 70.97 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.764 0.711 . . . . 25.0 110.128 175.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.84 -47.91 52.16 Favored Glycine 0 C--O 1.218 -0.851 0 N-CA-C 109.392 -1.483 . . . . 25.0 109.392 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.41 -39.26 64.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.49 -42.71 82.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.189 0.519 . . . . 25.0 111.131 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.66 -44.3 74.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 25.0 110.963 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 20.9 m -68.81 -26.52 32.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-N 116.614 -0.266 . . . . 25.0 110.774 -178.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.46 65.25 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 117.836 0.289 . . . . 25.0 111.047 179.405 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.29 78.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.618 0.247 . . . . 25.0 110.593 178.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -76.85 -36.57 56.71 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 120.56 0.219 . . . . 25.0 110.613 175.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.447 ' HA ' HG12 ' A' ' 476' ' ' VAL . 52.5 mm-40 -66.35 -46.08 78.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 -178.143 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -61.19 -28.71 69.33 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.133 -0.691 . . . . 25.0 109.133 178.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -50.68 13.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.7 p -63.43 -35.57 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 -176.562 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.84 -36.17 82.36 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.022 -0.536 . . . . 25.0 110.474 178.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.53 98.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.317 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -72.75 -31.78 38.07 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.53 65.98 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.288 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.6 mt -77.38 -45.28 26.48 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 177.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.5 mtm -62.12 -28.81 69.89 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.121 0.486 . . . . 25.0 111.393 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 28.2 p -85.87 -17.79 34.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.28 -0.568 . . . . 25.0 111.664 -176.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -93.38 -23.58 18.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 173.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 173.587 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.215 -0.748 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.35 -31.04 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.654 -0.703 . . . . 25.0 110.653 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -67.19 -40.74 86.57 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.883 -0.511 . . . . 25.0 110.533 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -75.77 -30.69 59.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.465 0.65 . . . . 25.0 109.744 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 45.6 ttp -63.32 -41.48 98.91 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 177.334 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.51 72.49 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.048 0.451 . . . . 25.0 110.769 177.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.49 68.22 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.131 -0.356 . . . . 25.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.22 -32.62 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 122.339 -0.226 . . . . 25.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.46 -46.32 86.83 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 174.414 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.87 85.23 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.86 -0.525 . . . . 25.0 110.166 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.87 -46.45 78.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.588 -179.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.8 -31.13 70.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.544 -0.723 . . . . 25.0 110.661 -178.558 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 38.7 mt -62.67 -42.04 99.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.128 -0.357 . . . . 25.0 110.086 177.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -74.99 -32.22 61.61 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.462 -0.895 . . . . 25.0 111.545 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 7.2 tpp -62.79 -33.41 75.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.817 0.342 . . . . 25.0 110.596 178.401 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.3 m -57.84 -36.55 72.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.471 0.653 . . . . 25.0 109.898 177.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -66.61 -41.0 89.08 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.87 -44.85 91.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.428 -0.806 . . . . 25.0 111.535 -178.326 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.0 m -68.38 -33.25 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 112.4 0.519 . . . . 25.0 112.4 -177.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 C--N 1.322 -0.619 0 N-CA-C 109.249 -0.649 . . . . 25.0 109.249 177.253 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.355 0 CA-C-O 121.182 0.515 . . . . 25.0 110.223 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 -31.99 72.4 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -176.742 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -67.09 -28.24 68.01 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.786 -0.766 . . . . 25.0 110.502 177.671 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -74.02 -38.15 48.58 Favored Glycine 0 C--O 1.225 -0.466 0 N-CA-C 107.739 -2.144 . . . . 25.0 107.739 174.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.42 -32.89 63.06 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 120.808 0.337 . . . . 25.0 111.344 178.672 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -72.59 -39.31 67.46 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.027 -0.42 . . . . 25.0 111.707 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.78 75.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.34 0.591 . . . . 25.0 109.459 -179.04 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.14 -26.58 32.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.364 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.71 -28.87 64.24 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.178 -0.326 . . . . 25.0 111.778 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.86 92.56 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.638 -0.504 . . . . 25.0 109.638 177.228 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -37.64 67.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.837 0.351 . . . . 25.0 110.078 176.495 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.452 ' HA ' HG12 ' A' ' 476' ' ' VAL . 63.6 mm-40 -65.87 -46.41 78.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 -179.062 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.88 -28.08 69.79 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 178.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.4 -52.07 15.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.8 -0.637 . . . . 25.0 110.698 177.318 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.7 p -63.18 -35.78 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 118.804 0.729 . . . . 25.0 109.482 -175.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -62.25 -36.28 81.56 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.303 178.407 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.38 -43.86 92.85 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.291 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.66 -34.77 53.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.53 -26.95 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.438 0.637 . . . . 25.0 110.018 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.63 -41.99 36.47 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 177.054 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.3 mtm -63.06 -28.2 69.92 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.426 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.2 p -78.41 -34.17 48.19 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.262 -0.975 . . . . 25.0 110.208 -176.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -81.49 -31.65 32.8 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.536 -0.466 . . . . 25.0 111.082 176.536 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 177.652 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--O 1.21 -0.998 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.58 -37.91 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 122.229 -0.294 . . . . 25.0 110.835 176.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.2 m -64.16 -37.5 87.7 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.689 -0.632 . . . . 25.0 110.899 178.467 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -75.82 -31.87 59.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.471 0.653 . . . . 25.0 109.895 179.056 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 37.3 ttm -60.11 -44.79 94.59 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.539 -0.755 . . . . 25.0 109.344 179.009 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.7 78.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.173 0.511 . . . . 25.0 110.924 -178.807 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.4 -46.99 58.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.865 -178.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.39 -34.73 59.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 C-N-CA 120.989 -0.284 . . . . 25.0 111.012 -178.083 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -57.55 -46.0 84.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.81 -0.441 . . . . 25.0 109.81 177.15 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.58 96.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.683 0.278 . . . . 25.0 110.681 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.63 86.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.251 -179.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.96 -41.76 99.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.419 0.628 . . . . 25.0 109.323 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 40.0 mt -62.4 -43.64 98.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.809 -0.632 . . . . 25.0 112.195 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -73.75 -32.19 63.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.656 -0.818 . . . . 25.0 111.329 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -61.13 -42.09 97.91 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.461 -0.941 . . . . 25.0 108.461 175.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 62.6 m -59.42 -33.18 70.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.87 -0.604 . . . . 25.0 110.543 179.098 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -65.7 -44.4 86.25 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.447 -0.783 . . . . 25.0 109.966 179.39 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -64.29 -44.35 91.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.642 -0.873 . . . . 25.0 108.642 -179.413 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.19 -41.5 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 124.281 1.032 . . . . 25.0 113.585 179.449 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 38.1 mt . . . . . 0 C--N 1.325 -0.471 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -177.841 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -35.74 81.8 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 122.197 -0.314 . . . . 25.0 111.843 -178.006 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -64.76 -27.11 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.281 -0.887 . . . . 25.0 110.07 178.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -75.15 -44.03 24.34 Favored Glycine 0 C--O 1.222 -0.63 0 N-CA-C 107.851 -2.1 . . . . 25.0 107.851 174.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.93 69.15 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 120.966 0.412 . . . . 25.0 111.196 179.613 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -63.02 -44.97 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.21 0.529 . . . . 25.0 111.242 178.677 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.04 73.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.102 0.477 . . . . 25.0 110.975 -177.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.12 -26.58 29.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.918 0 C-N-CA 120.68 -0.408 . . . . 25.0 110.544 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.61 66.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 118.451 0.568 . . . . 25.0 111.078 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.12 -36.5 82.03 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.029 0.443 . . . . 25.0 109.925 177.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -33.62 66.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.553 -0.294 . . . . 25.0 110.857 177.097 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.473 ' HA ' HG12 ' A' ' 476' ' ' VAL . 35.1 mm-40 -72.17 -46.11 57.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.16 0.505 . . . . 25.0 111.919 -176.041 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -62.01 -28.03 69.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.609 -0.886 . . . . 25.0 108.609 178.29 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.1 -53.16 9.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.33 177.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.7 p -63.21 -35.31 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 121.599 -0.688 . . . . 25.0 109.909 -175.639 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -63.68 -36.76 84.92 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.242 178.287 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.68 89.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 25.0 110.054 -179.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -71.2 -35.37 58.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 C-N-CA 120.656 -0.417 . . . . 25.0 109.876 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.97 65.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.138 0.494 . . . . 25.0 109.858 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.76 -44.04 28.89 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 177.332 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -60.67 -29.66 69.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.924 0.392 . . . . 25.0 111.28 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.7 p -77.35 -13.83 59.85 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.241 -0.584 . . . . 25.0 112.337 -175.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -108.7 -34.08 6.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.632 -0.258 . . . . 25.0 110.651 175.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--N 1.328 -0.334 0 O-C-N 122.015 -0.428 . . . . 25.0 110.394 178.427 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 . . . . . 0 C--O 1.21 -0.986 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.53 -33.1 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.963 -0.461 . . . . 25.0 110.713 175.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 19.5 m -70.27 -38.85 75.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.645 -0.659 . . . . 25.0 110.388 179.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -75.14 -30.89 60.92 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.498 0.666 . . . . 25.0 109.384 -179.146 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 4.1 mtp -62.92 -44.36 96.3 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.432 -0.804 . . . . 25.0 109.056 177.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.96 -33.31 75.44 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.344 -178.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.47 -45.38 65.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.489 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.63 -32.22 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.99 -0.444 . . . . 25.0 110.743 -178.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -58.5 -43.45 89.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 174.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.97 -37.39 84.16 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.565 -0.288 . . . . 25.0 110.686 178.297 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.14 95.25 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.695 0.284 . . . . 25.0 110.955 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -60.7 -45.79 92.85 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.036 0.922 . . . . 25.0 109.009 178.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.75 -43.76 98.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.13 -0.941 . . . . 25.0 112.196 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.7 -33.15 64.27 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.482 -0.887 . . . . 25.0 112.16 -179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 65.9 mtm -62.2 -39.66 93.5 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 176.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 59.1 m -55.59 -28.72 56.72 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.203 0.525 . . . . 25.0 111.028 178.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -69.17 -43.44 74.25 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.472 -0.767 . . . . 25.0 110.828 -178.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -72.35 -40.62 67.2 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.15 -1.056 . . . . 25.0 108.15 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 3.3 t -55.59 -42.15 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.635 -0.711 . . . . 25.0 112.444 -178.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 74.8 mt . . . . . 0 C--N 1.324 -0.53 0 N-CA-C 113.627 0.973 . . . . 25.0 113.627 -179.256 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.184 -0.302 . . . . 25.0 110.184 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -38.13 86.16 Favored 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 120.6 -0.44 . . . . 25.0 110.026 179.455 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.86 -35.29 77.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.701 -0.624 . . . . 25.0 110.358 177.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.44 -46.0 73.79 Favored Glycine 0 C--O 1.217 -0.962 0 N-CA-C 108.635 -1.786 . . . . 25.0 108.635 176.272 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.84 69.67 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.806 0.303 . . . . 25.0 111.537 179.409 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -67.9 -43.36 79.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.181 0.515 . . . . 25.0 110.88 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.69 -44.68 85.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 25.0 110.498 -178.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.75 -26.84 28.87 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.064 0 C-N-CA 120.688 -0.405 . . . . 25.0 110.384 -179.523 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.22 -33.84 69.76 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.501 0.591 . . . . 25.0 110.955 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.78 88.8 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 177.339 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.81 -35.41 67.32 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.666 -0.243 . . . . 25.0 110.523 176.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.452 ' HA ' HG12 ' A' ' 476' ' ' VAL . 59.0 mm-40 -67.46 -46.58 72.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.961 -0.462 . . . . 25.0 112.166 -179.121 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -62.91 -27.0 69.07 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -75.72 -52.92 9.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.536 -0.756 . . . . 25.0 111.087 177.743 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.4 p -63.73 -36.73 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 118.473 0.579 . . . . 25.0 109.876 -175.491 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -64.19 -34.33 77.83 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.212 178.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.9 97.75 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.352 -0.539 . . . . 25.0 109.945 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.08 -34.96 56.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 -179.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.34 -26.94 61.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.226 0.536 . . . . 25.0 109.714 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.38 -42.72 20.05 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.124 0.488 . . . . 25.0 109.772 177.585 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 49.1 mtm -61.15 -28.9 69.45 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.171 -0.331 . . . . 25.0 111.505 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.9 p -79.74 -15.01 58.31 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.241 -0.583 . . . . 25.0 112.061 -176.078 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -105.5 -33.41 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.2 -0.2 . . . . 25.0 111.171 176.097 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 . . . . . 0 C--N 1.327 -0.382 0 O-C-N 121.803 -0.56 . . . . 25.0 109.927 177.966 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 . . . . . 0 C--O 1.218 -0.583 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 83.6 t -65.71 -33.83 66.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.038 -178.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 67.2 m -65.36 -42.09 93.13 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.646 -0.421 . . . . 25.0 111.167 -179.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.73 -33.71 60.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.475 0.655 . . . . 25.0 109.675 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.6 ttp -63.32 -41.85 98.95 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 178.059 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.54 74.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.004 0.43 . . . . 25.0 110.154 179.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.98 74.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.611 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.28 -35.56 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.912 -0.315 . . . . 25.0 110.545 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -59.07 -45.46 90.76 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.495 -0.557 . . . . 25.0 109.495 175.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.72 -38.12 88.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.762 0.315 . . . . 25.0 110.421 178.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.89 97.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.443 179.459 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.422 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 2.4 mt-10 -65.14 -43.24 92.51 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.415 0.626 . . . . 25.0 109.751 179.052 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 39.4 mt -57.75 -45.61 85.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.545 -0.752 . . . . 25.0 110.86 -179.254 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -76.15 -38.94 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 177.619 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 13.9 ptp -64.21 -37.24 86.75 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 121.424 -0.798 . . . . 25.0 112.686 -174.299 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 27.1 m -57.96 -30.17 65.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.579 0.704 . . . . 25.0 111.578 -175.111 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -65.47 -46.2 80.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.21 -0.45 . . . . 25.0 109.871 -178.197 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -72.41 -41.73 65.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.116 0.484 . . . . 25.0 110.178 178.036 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.83 -43.12 73.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 -176.3 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 112.341 0.497 . . . . 25.0 112.341 -178.992 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.87 -36.17 81.7 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.501 -0.318 . . . . 25.0 111.153 -177.578 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.22 -27.86 68.97 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.5 -0.88 . . . . 25.0 110.339 178.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.74 -43.61 42.07 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 107.938 -2.065 . . . . 25.0 107.938 174.352 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.27 -39.94 67.35 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 120.981 0.419 . . . . 25.0 111.544 179.345 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -66.32 -42.68 87.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.097 0.475 . . . . 25.0 111.391 178.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.12 79.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.904 0.383 . . . . 25.0 110.648 -178.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.8 m -68.74 -30.99 48.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 120.893 -0.323 . . . . 25.0 110.145 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.93 -32.16 65.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 118.076 0.398 . . . . 25.0 111.258 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.28 90.51 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.843 -0.429 . . . . 25.0 109.843 177.342 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.67 67.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.726 0.298 . . . . 25.0 110.881 176.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -68.49 -43.93 75.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.131 0.491 . . . . 25.0 111.199 -179.288 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -67.24 -26.22 66.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.445 -0.784 . . . . 25.0 109.602 177.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -49.98 38.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.266 177.343 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.51 -36.59 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -177.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.55 -36.09 82.65 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.223 177.619 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.4 -45.09 89.04 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.958 -0.464 . . . . 25.0 110.43 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -70.47 -34.4 57.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.173 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.56 -28.1 66.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 178.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.78 -43.56 22.27 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 122.022 -0.424 . . . . 25.0 110.155 176.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.7 mtm -59.35 -28.61 67.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.087 0.47 . . . . 25.0 111.54 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.0 p -79.82 -14.14 58.9 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.045 -0.662 . . . . 25.0 111.693 -175.197 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -106.02 -36.17 7.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.768 -0.196 . . . . 25.0 110.981 174.317 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.327 -0.385 0 O-C-N 121.855 -0.528 . . . . 25.0 110.622 179.061 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 . . . . . 0 C--O 1.217 -0.643 0 CA-C-O 120.653 0.263 . . . . 25.0 111.053 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.55 -28.71 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.161 0.505 . . . . 25.0 109.713 -178.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 45.3 m -67.38 -37.48 83.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.829 -0.545 . . . . 25.0 110.004 177.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -75.68 -32.69 60.23 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 121.829 0.823 . . . . 25.0 109.172 178.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 50.5 ttm -60.45 -35.22 75.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.792 -0.64 . . . . 25.0 110.591 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.94 73.22 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.919 0.39 . . . . 25.0 110.62 178.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.22 -36.83 66.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 178.272 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.71 -42.36 94.78 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 177.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.35 -44.44 88.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.899 0.381 . . . . 25.0 110.403 178.274 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.06 89.39 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.864 0.364 . . . . 25.0 110.51 178.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.61 90.14 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.268 -0.424 . . . . 25.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.34 -40.6 94.86 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.805 0.812 . . . . 25.0 110.65 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 73.1 mt -59.71 -45.64 91.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.284 -0.871 . . . . 25.0 110.822 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.76 -30.86 63.03 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 119.815 -0.754 . . . . 25.0 111.608 177.477 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 9.4 tpp -63.21 -41.98 99.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.805 -0.559 . . . . 25.0 109.656 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 44.6 m -60.37 -44.19 95.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.955 0.407 . . . . 25.0 111.422 -179.438 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -71.38 -22.64 61.86 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.25 -0.98 . . . . 25.0 110.102 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -75.09 -47.97 26.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 175.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 25.1 m -64.0 -30.18 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 113.75 1.019 . . . . 25.0 113.75 -176.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.909 178.099 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.275 0 N-CA-C 109.811 -0.44 . . . . 25.0 109.811 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.17 -33.91 75.33 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.632 -0.427 . . . . 25.0 111.835 -176.886 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -67.3 -28.6 68.14 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.076 -0.649 . . . . 25.0 110.645 177.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -74.02 -38.01 48.81 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 108.474 -1.85 . . . . 25.0 108.474 176.452 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.03 -37.55 64.23 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 120.942 0.401 . . . . 25.0 111.284 179.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -65.44 -43.2 91.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.083 0.468 . . . . 25.0 112.193 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.72 -44.19 70.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.287 0.565 . . . . 25.0 110.618 -177.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.4 m -68.85 -26.52 32.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 116.284 -0.417 . . . . 25.0 110.805 -178.763 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.09 -31.74 63.5 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.969 0.359 . . . . 25.0 111.969 -179.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.5 91.3 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 177.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.64 -36.87 68.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 176.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.432 ' HA ' HG12 ' A' ' 476' ' ' VAL . 67.5 mm-40 -66.02 -46.56 77.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.216 0.45 . . . . 25.0 112.216 -178.776 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.31 -27.78 69.56 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.417 -0.513 . . . . 25.0 109.647 178.727 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.99 -51.71 17.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.932 -0.577 . . . . 25.0 110.751 177.086 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.4 p -63.37 -35.96 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 118.749 0.704 . . . . 25.0 109.495 -176.098 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -62.76 -35.97 81.56 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.349 178.27 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.39 91.83 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.318 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.75 -35.54 61.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.541 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.11 -26.93 65.12 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.412 0.625 . . . . 25.0 109.951 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -78.67 -42.76 27.73 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.3 mtm -61.21 -27.16 68.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.984 0.421 . . . . 25.0 111.485 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.7 p -78.8 -17.93 54.93 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.962 -0.695 . . . . 25.0 111.99 -176.49 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -102.81 -35.02 8.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.778 -0.192 . . . . 25.0 110.808 176.056 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 C--N 1.329 -0.303 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 176.039 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 C--O 1.217 -0.633 0 CA-C-O 121.423 0.63 . . . . 25.0 109.9 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 55.2 t -72.43 -36.27 54.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.072 -0.513 . . . . 25.0 109.617 -178.55 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.7 m -65.49 -40.34 92.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.541 -0.3 . . . . 25.0 111.581 179.251 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.23 -35.52 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.461 0.648 . . . . 25.0 109.412 179.675 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 61.5 ttp -63.3 -37.89 89.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.04 179.482 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.4 71.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.037 0.446 . . . . 25.0 110.307 178.266 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.82 71.34 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 178.046 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 64.0 t -66.34 -42.75 91.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 177.663 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.44 -44.83 92.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.305 0.574 . . . . 25.0 109.584 178.021 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.15 89.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.95 -0.469 . . . . 25.0 110.721 179.234 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.2 88.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.306 -0.407 . . . . 25.0 111.953 -178.274 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -68.1 -32.11 72.19 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.372 -0.931 . . . . 25.0 110.254 -178.758 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.18 -44.43 84.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.768 -0.373 . . . . 25.0 110.526 178.429 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -73.69 -32.25 63.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.691 -0.804 . . . . 25.0 111.459 178.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 61.5 mtm -64.4 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 177.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 73.0 m -61.69 -37.21 83.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 176.719 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -65.87 -46.97 76.47 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.415 -0.803 . . . . 25.0 109.101 177.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -45.94 89.92 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -177.841 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.88 -37.72 78.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 C-N-CA 120.492 -0.483 . . . . 25.0 112.124 -179.708 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--N 1.323 -0.585 0 O-C-N 121.82 -0.55 . . . . 25.0 111.474 178.624 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -37.52 85.52 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 120.651 -0.42 . . . . 25.0 110.277 179.28 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.02 -33.93 72.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 119.008 0.822 . . . . 25.0 110.498 175.439 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.28 -48.66 62.51 Favored Glycine 0 C--O 1.216 -1.029 0 N-CA-C 108.117 -1.993 . . . . 25.0 108.117 176.047 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.09 64.43 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.214 0.45 . . . . 25.0 112.214 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -70.87 -41.23 71.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.052 0.453 . . . . 25.0 110.954 178.838 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.15 78.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.08 0.467 . . . . 25.0 110.56 -178.601 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.8 m -68.94 -26.45 32.5 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 110.204 -0.295 . . . . 25.0 110.204 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.98 -33.38 67.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 118.297 0.498 . . . . 25.0 110.733 179.109 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.76 87.68 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 177.352 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.83 -33.5 66.21 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.651 -0.249 . . . . 25.0 110.639 176.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.432 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.5 mm-40 -68.32 -46.03 71.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.016 0.436 . . . . 25.0 111.404 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.22 -26.72 68.63 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 178.021 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.41 -51.2 18.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.049 -0.523 . . . . 25.0 110.633 177.378 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.6 p -63.66 -35.47 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 118.758 0.708 . . . . 25.0 109.155 -176.863 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -62.6 -36.24 82.11 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.847 -0.615 . . . . 25.0 110.382 177.832 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.75 93.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.127 -0.358 . . . . 25.0 110.213 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.67 -34.75 58.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.05 -27.0 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.38 0.61 . . . . 25.0 109.924 179.285 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.04 -42.21 27.04 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.635 -0.506 . . . . 25.0 109.635 177.118 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.4 mtm -62.32 -29.76 70.67 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.877 0.37 . . . . 25.0 111.199 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.8 p -76.45 -34.54 58.72 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.441 -0.904 . . . . 25.0 110.184 -175.425 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -80.75 -32.42 35.6 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.356 -0.538 . . . . 25.0 110.471 175.703 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 C--N 1.33 -0.258 0 O-C-N 121.758 -0.589 . . . . 25.0 109.671 177.527 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 . . . . . 0 C--O 1.209 -1.077 0 CA-C-O 120.359 0.123 . . . . 25.0 110.872 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 48.5 t -66.0 -34.77 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.216 0.532 . . . . 25.0 109.955 -179.18 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.1 m -70.36 -37.21 74.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.002 -0.436 . . . . 25.0 110.763 178.676 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.23 -33.41 65.32 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 121.598 0.713 . . . . 25.0 109.249 179.43 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.24 -33.2 71.94 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.495 179.729 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.08 -30.44 70.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.271 0.557 . . . . 25.0 110.237 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.62 60.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 177.797 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.39 -44.51 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 177.379 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -55.88 -46.53 78.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.944 0.402 . . . . 25.0 110.35 178.721 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.25 -42.03 99.13 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.986 -0.446 . . . . 25.0 110.954 -179.389 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.7 72.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.937 -178.353 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.25 -31.29 69.74 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.942 -0.703 . . . . 25.0 109.473 -178.337 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.44 -43.45 94.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.429 -0.508 . . . . 25.0 110.702 177.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.95 -32.18 67.03 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.122 -1.031 . . . . 25.0 111.358 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.5 mtm -67.13 -37.65 84.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 174.793 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 92.2 m -61.34 -40.89 95.92 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 177.341 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -62.18 -43.15 99.47 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.491 0.662 . . . . 25.0 109.346 178.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.65 -46.58 87.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.071 -0.968 . . . . 25.0 113.26 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.9 m -72.04 -32.59 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -177.417 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.5 mt . . . . . 0 C--N 1.322 -0.599 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 178.077 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 110.086 -0.338 . . . . 25.0 110.086 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -35.22 79.92 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 122.088 -0.382 . . . . 25.0 110.419 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -59.03 -36.4 74.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.721 0.692 . . . . 25.0 110.332 176.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.21 -45.65 60.77 Favored Glycine 0 C--O 1.22 -0.728 0 N-CA-C 109.075 -1.61 . . . . 25.0 109.075 176.408 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.38 -39.33 67.09 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 122.555 0.342 . . . . 25.0 111.78 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -65.76 -44.4 85.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.085 0.469 . . . . 25.0 111.21 178.913 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.94 82.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.007 0.432 . . . . 25.0 110.518 -178.167 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.5 m -70.01 -28.86 37.93 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.849 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.974 -179.022 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.3 68.59 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.306 0.503 . . . . 25.0 111.307 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.8 82.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.159 -0.311 . . . . 25.0 110.159 177.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -74.46 -36.47 63.33 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.808 -0.178 . . . . 25.0 110.952 176.652 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -66.98 -46.06 75.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.188 0.518 . . . . 25.0 111.875 -178.741 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -63.41 -28.97 70.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 178.627 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.75 -51.42 22.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.046 177.765 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.29 -36.59 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 118.631 0.651 . . . . 25.0 109.387 -176.364 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.83 -35.98 82.39 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.407 178.119 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.98 90.94 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.611 -0.435 . . . . 25.0 110.501 -179.5 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.05 -35.41 53.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.83 65.5 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.403 0.62 . . . . 25.0 109.965 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.76 -41.64 44.01 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.587 0.708 . . . . 25.0 109.338 177.843 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -63.46 -28.2 69.8 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 122.027 -0.421 . . . . 25.0 111.112 178.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.3 p -84.85 -8.5 58.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.142 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -108.82 -28.56 9.11 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.635 -0.257 . . . . 25.0 111.016 174.264 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.444 -0.769 0 CA-C-N 118.336 0.516 . . . . 25.0 111.728 176.508 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 . . . . . 0 C--O 1.217 -0.616 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.49 -26.71 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.993 0.425 . . . . 25.0 109.968 178.71 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.3 m -66.26 -38.15 87.15 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.588 -0.695 . . . . 25.0 110.06 177.265 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -75.75 -32.99 60.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.9 0.857 . . . . 25.0 109.105 177.359 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 39.0 ttm -62.32 -33.61 75.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.676 -0.693 . . . . 25.0 109.955 178.87 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.29 70.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.879 178.744 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.24 72.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 177.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.83 -43.72 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 177.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.12 -41.9 93.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.816 -0.439 . . . . 25.0 109.816 178.011 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.33 93.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.376 -0.202 . . . . 25.0 110.736 179.444 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.73 -45.03 84.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.86 0.362 . . . . 25.0 110.299 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.59 -45.49 93.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.75 0.786 . . . . 25.0 109.401 179.502 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 50.7 mt -62.64 -46.35 88.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.41 -0.813 . . . . 25.0 111.783 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.81 -32.18 71.71 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.329 -0.948 . . . . 25.0 111.189 -177.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 63.6 mtm -66.36 -43.9 84.7 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.59 -0.893 . . . . 25.0 108.59 176.534 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 55.7 m -61.34 -40.31 93.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.179 0.514 . . . . 25.0 109.999 178.232 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -67.58 -39.13 84.88 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.955 -1.091 . . . . 25.0 110.081 178.333 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -61.82 -41.82 98.26 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.266 0.469 . . . . 25.0 112.266 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.59 -32.98 30.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 179.646 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 116.625 -0.262 . . . . 25.0 111.535 176.812 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 120.529 0.204 . . . . 25.0 110.892 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -35.2 80.18 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 122.152 -0.342 . . . . 25.0 110.689 -178.73 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -59.47 -36.14 75.41 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.633 -0.827 . . . . 25.0 110.816 175.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.38 -47.15 64.91 Favored Glycine 0 C--O 1.219 -0.816 0 N-CA-C 108.072 -2.011 . . . . 25.0 108.072 175.855 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.09 -37.6 64.44 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 112.363 0.505 . . . . 25.0 112.363 179.442 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -72.06 -40.55 68.24 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.834 -0.541 . . . . 25.0 111.249 178.653 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.06 85.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.184 0.516 . . . . 25.0 109.791 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.7 m -69.65 -28.37 37.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.98 -29.24 65.07 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.97 0.35 . . . . 25.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.11 86.18 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 177.213 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -74.77 -34.35 62.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.692 0.282 . . . . 25.0 110.694 175.838 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.429 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.7 mm-40 -69.94 -45.13 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.118 0.485 . . . . 25.0 111.732 -177.534 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -63.19 -28.29 69.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 178.292 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.09 -51.72 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.589 -0.732 . . . . 25.0 110.783 178.509 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.5 p -63.17 -36.36 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 118.632 0.651 . . . . 25.0 109.447 -176.739 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -63.06 -36.37 83.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.856 -0.611 . . . . 25.0 110.427 177.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.36 93.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.597 -0.441 . . . . 25.0 110.354 -179.338 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.12 -34.68 55.76 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 -179.12 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.93 65.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.328 0.585 . . . . 25.0 109.744 179.492 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.98 -42.08 24.62 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 121.276 0.56 . . . . 25.0 109.861 177.041 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.3 mtm -62.25 -27.18 68.83 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 116.347 -0.388 . . . . 25.0 111.842 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.7 p -79.25 -36.06 40.53 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 119.152 -1.019 . . . . 25.0 110.014 -176.401 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -79.93 -29.05 39.66 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.416 -0.514 . . . . 25.0 111.009 177.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-N 118.42 0.555 . . . . 25.0 110.885 177.869 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.213 -0.83 0 CA-C-O 121.867 0.842 . . . . 25.0 110.206 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 17.3 t -69.6 -34.23 60.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.593 -0.731 . . . . 25.0 109.913 -178.128 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.2 m -69.59 -37.1 76.78 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 178.707 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.35 -32.04 68.07 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 178.448 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 3.0 tpp -59.74 -33.62 71.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.948 0.404 . . . . 25.0 110.534 178.482 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.54 -31.69 71.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.915 0.388 . . . . 25.0 110.337 178.321 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.22 -36.74 66.54 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 178.082 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.84 -44.39 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 177.404 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.59 -46.12 87.64 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.958 0.408 . . . . 25.0 109.942 178.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.13 88.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.231 -0.293 . . . . 25.0 110.723 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.67 -44.4 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.691 179.593 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.36 -43.45 98.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.84 0.829 . . . . 25.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.09 -42.59 98.79 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.361 -0.836 . . . . 25.0 111.086 178.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -72.83 -32.23 65.35 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.815 -0.754 . . . . 25.0 111.079 179.051 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 3.1 tpp -62.89 -46.23 88.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 177.028 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 32.2 m -59.16 -44.83 92.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 -177.564 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -67.3 -31.1 71.16 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.23 -0.919 . . . . 25.0 109.787 179.376 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -72.34 -44.42 62.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 178.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.78 -32.61 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 113.407 0.892 . . . . 25.0 113.407 -177.065 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 179.159 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 110.515 -0.179 . . . . 25.0 110.515 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -34.31 77.79 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 122.138 -0.351 . . . . 25.0 110.441 179.422 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.6 -31.38 71.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.443 -0.786 . . . . 25.0 110.422 176.68 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.55 46.93 Favored Glycine 0 C--O 1.217 -0.952 0 N-CA-C 108.303 -1.919 . . . . 25.0 108.303 175.089 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.55 -39.51 67.79 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 120.966 0.412 . . . . 25.0 111.358 179.161 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -65.65 -43.17 90.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.197 0.523 . . . . 25.0 111.247 178.462 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.27 79.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.964 0.412 . . . . 25.0 110.612 -178.251 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.5 m -69.71 -29.71 42.09 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.149 -179.562 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.93 65.48 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.127 0.421 . . . . 25.0 111.632 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.24 90.32 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 177.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -34.55 67.25 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 120.638 0.256 . . . . 25.0 110.512 176.548 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.445 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.2 mm-40 -67.93 -47.21 69.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.864 0.364 . . . . 25.0 111.966 -179.2 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.15 -26.31 68.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 178.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -52.2 13.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 25.0 110.732 177.108 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.6 p -63.94 -38.71 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 118.788 0.722 . . . . 25.0 110.034 -175.658 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -64.71 -30.62 71.64 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.099 179.097 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.9 96.64 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.287 -0.565 . . . . 25.0 110.077 179.875 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.15 -32.92 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -178.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.98 65.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 178.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.19 -43.11 19.79 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.081 0.467 . . . . 25.0 110.493 176.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.0 mtm -61.66 -24.96 67.08 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -179.095 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 19.0 p -79.89 -36.4 36.56 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.306 -0.958 . . . . 25.0 110.01 -176.148 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -79.87 -31.48 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.587 -0.445 . . . . 25.0 110.787 176.786 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.452 -0.327 0 O-C-N 121.881 -0.512 . . . . 25.0 110.82 178.34 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 . . . . . 0 C--O 1.212 -0.887 0 CA-C-O 120.731 0.301 . . . . 25.0 110.891 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 85.2 t -67.69 -31.87 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 121.688 -0.633 . . . . 25.0 109.496 177.447 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.3 m -70.73 -36.06 73.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 178.261 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -72.97 -30.51 63.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 178.889 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.2 tpp -61.08 -31.56 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.399 -0.364 . . . . 25.0 110.999 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.71 -32.11 73.64 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.069 0.462 . . . . 25.0 110.295 178.754 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.92 -35.72 67.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 178.244 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.72 -42.53 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.174 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.18 -45.84 79.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.811 -0.441 . . . . 25.0 109.811 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.26 85.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.648 -0.251 . . . . 25.0 111.306 179.666 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.54 93.82 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.412 -0.358 . . . . 25.0 111.03 -178.605 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.61 -41.61 98.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.757 0.789 . . . . 25.0 110.298 -179.323 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 67.7 mt -60.94 -44.18 97.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.417 -0.81 . . . . 25.0 111.411 178.884 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -73.57 -31.8 63.81 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.703 -0.799 . . . . 25.0 110.962 178.002 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 7.4 tpp -60.63 -42.15 96.31 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 177.263 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 38.5 m -61.81 -37.37 84.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.068 178.704 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -67.97 -44.44 76.7 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 119.534 -0.866 . . . . 25.0 109.555 177.193 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.06 -40.66 94.49 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -178.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.7 m -67.7 -33.33 61.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.352 -0.539 . . . . 25.0 111.365 178.62 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.323 -0.551 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 177.225 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.237 0 N-CA-C 110.514 -0.18 . . . . 25.0 110.514 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 -34.55 78.54 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.513 -0.475 . . . . 25.0 110.236 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.38 -34.17 72.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.732 -0.605 . . . . 25.0 110.97 176.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.97 -42.77 36.29 Favored Glycine 0 C--O 1.223 -0.536 0 N-CA-C 108.935 -1.666 . . . . 25.0 108.935 176.243 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.17 -39.11 69.15 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 120.896 0.379 . . . . 25.0 111.307 179.671 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -63.67 -45.59 89.4 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.196 0.522 . . . . 25.0 111.295 178.427 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.69 82.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.429 . . . . 25.0 110.731 -177.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.69 -31.3 48.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.514 -178.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.48 -34.63 69.24 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.266 0.484 . . . . 25.0 111.492 -179.358 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.64 88.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.903 -0.406 . . . . 25.0 109.903 177.904 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.8 67.24 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.361 -0.212 . . . . 25.0 110.649 177.11 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.431 ' HA ' HG12 ' A' ' 476' ' ' VAL . 41.0 mm-40 -68.9 -45.05 71.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.959 -0.463 . . . . 25.0 112.035 -178.439 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.06 -26.76 68.7 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 178.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -52.7 10.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.41 -0.814 . . . . 25.0 111.147 178.046 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.4 p -63.07 -36.69 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 118.57 0.623 . . . . 25.0 110.146 -175.235 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -63.36 -35.18 79.53 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.149 -0.478 . . . . 25.0 110.282 178.549 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.84 95.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.239 -179.353 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -70.69 -35.08 59.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 C-N-CA 120.61 -0.436 . . . . 25.0 109.848 -178.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.11 -26.92 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.31 0.576 . . . . 25.0 109.922 179.459 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.35 -43.89 18.4 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-O 120.931 0.396 . . . . 25.0 110.018 177.117 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.2 mtm -59.76 -29.01 67.88 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 120.842 0.353 . . . . 25.0 111.61 -179.3 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.5 p -76.36 -37.19 57.61 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 119.093 -1.043 . . . . 25.0 109.765 -175.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -86.13 -19.07 30.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.488 0.921 . . . . 25.0 113.488 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 N--CA 1.446 -0.651 0 CA-C-N 118.302 0.501 . . . . 25.0 111.185 175.403 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 . . . . . 0 C--O 1.212 -0.905 0 N-CA-C 110.199 -0.297 . . . . 25.0 110.199 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.46 -35.48 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.001 0.429 . . . . 25.0 110.396 178.092 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.3 m -64.65 -40.48 95.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.953 -0.467 . . . . 25.0 110.717 179.773 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -75.74 -30.39 59.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.401 0.62 . . . . 25.0 110.263 178.796 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.7 ttp -62.73 -42.71 99.8 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 178.484 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.11 -33.06 75.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.243 0.544 . . . . 25.0 110.472 178.82 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.82 -44.69 66.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 25.0 111.09 -179.423 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.64 -33.31 48.53 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 O-C-N 122.32 -0.237 . . . . 25.0 110.564 -179.34 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -57.83 -43.86 86.09 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 175.377 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.16 82.48 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.756 0.312 . . . . 25.0 110.864 178.562 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.58 87.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.699 0.285 . . . . 25.0 110.305 179.265 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.8 -44.07 97.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 178.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.02 -43.28 95.37 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.989 -0.55 . . . . 25.0 112.188 179.339 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -73.41 -32.11 64.25 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.202 -0.999 . . . . 25.0 110.856 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 68.9 mtm -67.93 -32.05 72.23 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.524 -0.735 . . . . 25.0 110.697 175.918 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.8 m -56.16 -41.89 76.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.362 0.265 . . . . 25.0 111.344 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -27.0 64.95 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 118.872 -1.131 . . . . 25.0 111.07 -178.675 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -72.66 -44.99 61.14 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.21 179.295 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.82 -31.71 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 -176.042 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 76.4 mt . . . . . 0 C--N 1.319 -0.731 0 N-CA-C 112.152 0.427 . . . . 25.0 112.152 176.691 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 119.779 -0.153 . . . . 25.0 111.31 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.36 -37.27 84.93 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 117.962 0.347 . . . . 25.0 111.335 -178.321 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -60.68 -33.66 73.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.65 -0.656 . . . . 25.0 110.068 176.888 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.45 -47.99 32.41 Favored Glycine 0 C--O 1.215 -1.047 0 N-CA-C 109.035 -1.626 . . . . 25.0 109.035 176.124 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.79 -38.96 65.04 Favored 'General case' 0 C--O 1.209 -1.058 0 C-N-CA 123.037 0.535 . . . . 25.0 112.417 -178.317 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -72.88 -40.13 65.87 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 122.603 1.192 . . . . 25.0 113.648 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.5 92.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 115.119 -0.946 . . . . 25.0 110.153 178.038 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -73.69 -26.58 21.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 CA-C-O 119.339 -0.363 . . . . 25.0 110.51 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.58 -35.66 66.01 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.519 0.6 . . . . 25.0 111.115 -179.419 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.19 89.82 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.809 0.337 . . . . 25.0 110.278 177.025 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.67 -34.44 67.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.677 0.275 . . . . 25.0 110.915 176.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.415 ' HA ' HG12 ' A' ' 476' ' ' VAL . 70.7 mm-40 -68.34 -47.62 66.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.009 -0.432 . . . . 25.0 111.695 -179.745 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 8.4 ptm85 -64.37 -26.13 68.33 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.193 -0.603 . . . . 25.0 109.855 178.186 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -50.33 32.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.151 176.736 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.2 p -64.14 -35.31 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 -177.741 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -62.73 -36.9 84.51 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.518 -0.765 . . . . 25.0 109.697 178.05 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.79 92.58 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.113 -0.367 . . . . 25.0 110.678 179.377 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -69.8 -34.23 59.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 O-C-N 121.981 -0.449 . . . . 25.0 109.842 -179.02 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.09 -27.12 65.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.436 0.636 . . . . 25.0 109.337 178.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.31 -41.16 22.52 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.202 0.525 . . . . 25.0 110.428 176.829 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.8 mtm -61.55 -28.08 69.08 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 116.286 -0.415 . . . . 25.0 111.539 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.9 p -79.08 -34.7 43.37 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.439 -0.904 . . . . 25.0 110.592 -175.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -81.04 -24.17 38.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.803 176.629 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.45 -0.453 0 CA-C-O 121.307 0.575 . . . . 25.0 111.83 176.136 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--O 1.209 -1.034 0 CA-C-O 121.24 0.543 . . . . 25.0 109.656 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.24 -35.13 74.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.068 -0.515 . . . . 25.0 110.641 179.684 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 49.3 m -66.03 -38.71 89.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.823 -0.548 . . . . 25.0 110.334 177.803 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.74 -30.14 59.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.411 0.624 . . . . 25.0 109.91 179.382 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 49.1 ttm -60.49 -40.69 92.21 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 109.079 -0.712 . . . . 25.0 109.079 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.96 -33.92 76.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.932 0.396 . . . . 25.0 110.854 178.77 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.69 -46.78 57.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.808 0.337 . . . . 25.0 111.07 -179.061 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.84 -34.17 63.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 N-CA-C 110.376 -0.231 . . . . 25.0 110.376 -178.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -57.37 -44.55 84.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 175.62 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.25 90.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.18 -0.325 . . . . 25.0 110.661 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.23 88.72 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.392 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -62.74 -46.09 89.67 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 178.854 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 51.1 mt -58.42 -41.92 86.06 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 179.435 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -74.78 -32.8 62.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 119.82 -0.752 . . . . 25.0 111.948 176.358 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 60.8 mtm -68.14 -34.37 76.23 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.763 -0.586 . . . . 25.0 110.228 177.748 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.0 m -54.54 -32.7 58.75 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.46 0.648 . . . . 25.0 110.343 178.328 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -66.48 -42.79 86.95 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.746 -0.596 . . . . 25.0 109.884 -178.792 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -72.33 -38.05 68.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.609 -0.885 . . . . 25.0 108.609 -179.313 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.47 -41.62 85.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.161 178.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 55.5 mt . . . . . 0 C--N 1.323 -0.569 0 CA-C-O 120.865 0.364 . . . . 25.0 110.913 178.489 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 110.264 -0.273 . . . . 25.0 110.264 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -33.88 75.76 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.483 -0.562 . . . . 25.0 109.483 178.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.53 -34.76 73.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.139 -0.624 . . . . 25.0 109.912 174.791 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.27 -44.84 73.42 Favored Glycine 0 C--O 1.218 -0.883 0 N-CA-C 108.697 -1.761 . . . . 25.0 108.697 176.091 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.32 65.88 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.767 0.427 . . . . 25.0 111.586 179.39 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -67.86 -42.13 81.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.037 0.446 . . . . 25.0 111.515 178.426 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.22 79.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.157 0.503 . . . . 25.0 110.574 -178.606 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.27 -26.46 31.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 CA-C-N 116.411 -0.359 . . . . 25.0 110.488 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.14 -32.8 64.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 117.946 0.339 . . . . 25.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.98 89.43 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 177.312 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -34.31 67.08 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 120.571 0.225 . . . . 25.0 110.509 176.623 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.459 ' HA ' HG12 ' A' ' 476' ' ' VAL . 60.7 mm-40 -67.9 -46.52 71.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.092 0.472 . . . . 25.0 112.049 -179.307 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.18 -27.19 69.2 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 178.111 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.27 -51.64 14.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.856 -0.611 . . . . 25.0 111.056 177.333 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.0 p -62.94 -35.71 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 118.8 0.727 . . . . 25.0 109.808 -175.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -62.13 -35.79 79.83 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.211 178.693 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.74 95.79 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.25 -33.11 49.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 121.957 -0.464 . . . . 25.0 109.87 -179.296 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.96 65.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 178.567 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -78.97 -44.35 22.6 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 121.022 0.439 . . . . 25.0 109.975 177.59 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.9 mtm -60.68 -31.07 70.33 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 121.301 0.572 . . . . 25.0 111.328 -179.462 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.0 p -77.04 -31.58 56.36 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.785 -0.766 . . . . 25.0 110.614 -174.574 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -85.05 -30.32 24.21 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.36 -0.536 . . . . 25.0 110.992 174.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.33 -0.244 0 O-C-N 121.697 -0.627 . . . . 25.0 109.504 178.367 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 26.0 t -74.12 -41.07 51.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.491 -179.369 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.0 m -64.26 -38.37 90.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.043 0.449 . . . . 25.0 110.268 179.183 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -74.72 -24.99 58.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.239 -0.437 . . . . 25.0 110.548 178.403 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 25.9 ttm -64.29 -46.69 82.51 Favored 'General case' 0 C--O 1.215 -0.751 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 177.35 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.12 76.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.981 0.42 . . . . 25.0 110.603 -179.333 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.25 -48.2 68.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 25.0 111.448 -179.829 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.14 -35.48 58.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 C-N-CA 121.1 -0.24 . . . . 25.0 110.614 -178.447 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.76 -47.62 84.03 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 176.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.28 93.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.929 0.395 . . . . 25.0 110.211 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.74 75.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.506 -179.1 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.13 -31.08 69.52 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.677 -0.64 . . . . 25.0 110.486 -178.161 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.86 -43.69 95.35 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.002 -0.436 . . . . 25.0 110.728 177.045 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.91 -32.26 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.263 -0.975 . . . . 25.0 109.909 178.244 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.0 tpp -61.79 -40.76 96.34 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 177.317 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 63.4 m -63.91 -37.58 87.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.483 . . . . 25.0 110.081 178.534 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -65.99 -46.76 76.85 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.401 -0.812 . . . . 25.0 109.315 177.471 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.96 -44.23 82.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.115 -178.323 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.2 -35.59 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 113.282 0.845 . . . . 25.0 113.282 179.522 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 70.4 mt . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 178.649 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.998 -0.371 . . . . 25.0 109.998 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -37.47 85.92 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 120.796 -0.361 . . . . 25.0 110.806 -179.349 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -57.53 -38.5 74.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.761 0.709 . . . . 25.0 110.958 177.354 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.25 44.38 Favored Glycine 0 C--O 1.222 -0.655 0 N-CA-C 109.543 -1.423 . . . . 25.0 109.543 176.857 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.26 -38.98 63.52 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -65.3 -47.83 75.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.199 0.523 . . . . 25.0 111.201 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.5 87.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.739 -177.587 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.3 m -70.13 -31.36 47.22 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.039 0 C-N-CA 120.323 -0.551 . . . . 25.0 110.734 -178.57 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.94 71.64 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.582 0.628 . . . . 25.0 111.417 -178.67 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.21 86.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 178.07 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.14 68.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.756 -0.202 . . . . 25.0 110.999 177.604 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.422 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.9 mm-40 -66.22 -46.15 78.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.884 -0.51 . . . . 25.0 111.886 -179.29 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.92 -27.55 69.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -52.57 12.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 25.0 110.867 177.184 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 473' ' ' GLN . 15.0 p -63.02 -36.09 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 118.725 0.693 . . . . 25.0 109.904 -175.293 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -62.88 -35.31 79.57 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.246 178.762 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.37 89.83 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.567 -0.453 . . . . 25.0 110.088 -179.463 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.44 -35.34 66.43 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 N-CA-C 109.803 -0.443 . . . . 25.0 109.803 -178.624 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.41 -26.8 63.66 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.4 mt -81.37 -42.87 19.83 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.996 0.426 . . . . 25.0 110.754 176.291 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 41.5 mtm -59.55 -24.09 63.41 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 115.816 -0.629 . . . . 25.0 111.745 -178.069 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 40.7 p -80.52 -24.23 39.49 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 119.739 -0.784 . . . . 25.0 110.616 -177.859 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.89 -37.16 20.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.797 0.808 . . . . 25.0 108.925 177.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 . . . . . 0 C--N 1.321 -0.637 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 173.717 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 120.665 0.269 . . . . 25.0 111.508 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.2 -34.4 69.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.664 0.269 . . . . 25.0 110.901 -176.34 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 39.4 m -68.4 -42.44 79.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.066 0.46 . . . . 25.0 110.649 -179.573 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -75.55 -30.29 59.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.079 -0.51 . . . . 25.0 109.654 -179.339 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 64.0 ttp -64.0 -40.67 96.88 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 176.375 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.77 -34.27 77.94 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.94 -0.475 . . . . 25.0 110.536 178.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.13 -45.54 66.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.632 0.253 . . . . 25.0 111.378 179.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.08 -32.56 48.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.559 -179.21 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.28 -43.63 88.08 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 174.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.86 88.96 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.992 -0.443 . . . . 25.0 110.326 179.33 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.75 -42.82 85.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.285 178.799 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.19 -45.24 95.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.85 -43.62 98.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.25 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -73.75 -33.09 64.15 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.426 -0.909 . . . . 25.0 111.924 178.619 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 70.1 mtm -65.2 -38.0 89.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 108.732 -0.84 . . . . 25.0 108.732 176.077 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 87.9 m -59.27 -38.51 80.29 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.379 -0.601 . . . . 25.0 109.379 176.891 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -65.36 -42.24 93.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.365 -0.835 . . . . 25.0 109.404 179.392 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.91 -44.85 88.21 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.11 0.781 . . . . 25.0 113.11 -178.842 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.58 -33.03 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 120.399 -0.521 . . . . 25.0 111.052 -179.675 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 68.7 mt . . . . . 0 C--N 1.322 -0.595 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 176.187 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -39.98 92.12 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 122.219 -0.3 . . . . 25.0 110.218 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.26 -30.13 71.33 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.556 -0.715 . . . . 25.0 110.905 178.169 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.94 -48.22 55.68 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 108.124 -1.99 . . . . 25.0 108.124 175.566 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.81 -38.49 70.04 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.826 0.313 . . . . 25.0 111.45 179.029 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -66.92 -44.98 79.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 25.0 110.617 178.665 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.15 89.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.137 -0.483 . . . . 25.0 110.828 -178.019 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -70.0 -31.44 47.83 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 C-N-CA 120.291 -0.563 . . . . 25.0 109.844 -179.475 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.85 -35.49 73.01 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.643 0.656 . . . . 25.0 111.007 -179.684 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.26 86.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 177.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -37.69 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.517 0.199 . . . . 25.0 110.721 177.035 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.407 ' HA ' HG12 ' A' ' 476' ' ' VAL . 42.7 mm-40 -66.02 -45.44 81.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.97 -0.456 . . . . 25.0 111.714 -178.576 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.47 -27.12 68.77 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.393 -0.523 . . . . 25.0 109.63 179.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.96 -52.68 12.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.414 177.529 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.4 p -63.58 -36.54 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 118.449 0.568 . . . . 25.0 109.771 -175.629 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -64.67 -32.37 74.01 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.198 -0.456 . . . . 25.0 110.756 178.416 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.73 99.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.585 -0.446 . . . . 25.0 110.085 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.7 -34.27 51.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 N-CA-C 109.392 -0.595 . . . . 25.0 109.392 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.26 -26.83 65.26 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.4 0.619 . . . . 25.0 110.118 179.459 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.0 mt -77.03 -41.82 41.0 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 176.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.4 mtm -63.86 -28.37 69.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 41.3 p -78.72 -34.94 45.53 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 119.282 -0.967 . . . . 25.0 110.008 -177.042 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -78.12 -32.84 50.66 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.893 -0.723 . . . . 25.0 110.335 177.086 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 . . . . . 0 C--N 1.331 -0.229 0 O-C-N 121.832 -0.543 . . . . 25.0 109.735 178.312 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 C--O 1.213 -0.868 0 CA-C-O 120.596 0.236 . . . . 25.0 110.545 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.2 -30.05 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 122.032 -0.417 . . . . 25.0 110.825 178.644 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 37.7 m -66.01 -40.69 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.452 -0.78 . . . . 25.0 110.028 179.395 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -75.93 -32.21 59.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.304 0.574 . . . . 25.0 109.622 178.413 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 39.5 ttm -61.8 -37.71 85.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.221 179.229 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -61.78 -31.87 72.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.14 0.495 . . . . 25.0 111.123 179.298 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.48 -36.08 71.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 178.225 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.39 -43.97 87.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 178.349 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -58.63 -45.16 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.627 -0.509 . . . . 25.0 109.627 178.874 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.09 98.94 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.878 -0.514 . . . . 25.0 111.04 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.19 81.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.192 0.441 . . . . 25.0 112.192 -178.371 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.439 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 26.0 pt-20 -70.36 -32.36 70.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.636 -0.826 . . . . 25.0 109.788 -178.631 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.54 -46.07 90.06 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.558 -0.457 . . . . 25.0 109.975 177.802 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -73.62 -36.12 65.41 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.013 -1.075 . . . . 25.0 112.999 -178.262 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . 0.439 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 21.6 ptp -64.92 -35.89 82.62 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 119.485 -0.886 . . . . 25.0 110.249 -179.812 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 37.7 m -67.48 -37.43 82.88 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -64.73 -43.76 92.36 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.411 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -46.96 87.46 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.544 -0.753 . . . . 25.0 112.351 -179.093 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.8 m -69.53 -38.26 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 120.307 -0.557 . . . . 25.0 111.382 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--O 1.217 -0.63 0 C-N-CA 121.23 -0.188 . . . . 25.0 111.414 179.312 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.491 0 N-CA-C 111.209 0.077 . . . . 25.0 111.209 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -31.55 72.55 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 121.771 -0.58 . . . . 25.0 110.214 -179.591 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -59.99 -34.94 73.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.901 -0.5 . . . . 25.0 110.161 176.359 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.21 -40.02 56.67 Favored Glycine 0 C--O 1.22 -0.721 0 N-CA-C 109.471 -1.451 . . . . 25.0 109.471 176.526 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.0 71.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.786 0.326 . . . . 25.0 110.939 179.285 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -64.54 -44.22 91.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.179 0.514 . . . . 25.0 111.161 178.355 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.27 -45.33 80.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.354 -178.13 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.2 m -69.8 -28.01 35.4 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.767 -178.691 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.14 70.41 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.807 -0.558 . . . . 25.0 110.879 179.531 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.76 84.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 177.549 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.73 -36.45 67.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.576 0.227 . . . . 25.0 110.917 177.335 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.57 -45.73 78.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.142 0.496 . . . . 25.0 111.659 -179.643 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -65.12 -27.02 68.45 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 119.84 -0.744 . . . . 25.0 109.501 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.75 -49.83 28.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.033 177.06 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.64 -36.73 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 118.707 0.685 . . . . 25.0 109.259 -177.079 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -64.25 -33.6 76.18 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.652 178.382 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.46 99.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.857 -0.527 . . . . 25.0 110.209 179.335 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.61 -34.46 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 179.814 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.68 -25.41 64.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 179.043 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.99 -41.82 22.13 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 121.02 0.438 . . . . 25.0 110.092 176.203 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.0 mtm -60.85 -28.19 68.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.909 0.385 . . . . 25.0 111.737 -179.924 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 37.0 p -76.77 -36.25 57.15 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.635 -0.826 . . . . 25.0 110.756 -176.845 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.8 -29.37 40.28 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.472 -0.491 . . . . 25.0 110.153 176.679 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.463 0.189 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 175.781 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 C--O 1.215 -0.754 0 CA-C-O 120.639 0.257 . . . . 25.0 110.675 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.63 -33.07 57.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.72 0.295 . . . . 25.0 110.473 177.72 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.8 m -66.82 -39.0 87.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.785 -0.572 . . . . 25.0 110.156 179.03 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -73.79 -33.44 64.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.46 0.648 . . . . 25.0 109.32 178.205 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 63.5 ttp -65.35 -33.35 75.77 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 115.968 -0.56 . . . . 25.0 110.365 179.873 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.59 70.64 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.027 0.441 . . . . 25.0 110.867 178.687 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.04 70.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.843 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.99 -42.66 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 178.322 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.41 -44.19 88.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.323 0.582 . . . . 25.0 109.671 178.433 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.0 94.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.808 -0.558 . . . . 25.0 111.059 179.215 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.66 -44.88 80.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.613 -178.516 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -69.76 -31.02 68.74 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.71 -0.796 . . . . 25.0 109.99 -179.108 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.95 -44.19 93.58 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.938 -0.477 . . . . 25.0 111.333 177.695 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.46 -32.22 68.07 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.412 -0.915 . . . . 25.0 110.724 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.4 mtm -67.73 -39.71 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.725 -0.472 . . . . 25.0 109.725 176.565 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.4 m -60.18 -40.58 90.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.078 -0.342 . . . . 25.0 110.078 178.457 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.79 -47.47 84.99 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.591 0.71 . . . . 25.0 109.198 178.357 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.29 -43.69 96.05 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.087 -0.961 . . . . 25.0 113.062 -177.81 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.98 -37.16 66.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 C-N-CA 120.391 -0.523 . . . . 25.0 112.296 -179.151 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 C--N 1.324 -0.543 0 C-N-CA 120.914 -0.314 . . . . 25.0 110.676 178.309 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.426 0 N-CA-C 110.71 -0.107 . . . . 25.0 110.71 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -35.06 79.85 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 122.109 -0.37 . . . . 25.0 111.121 -178.987 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -56.04 -38.06 70.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.336 0.588 . . . . 25.0 110.481 175.865 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.06 -44.54 35.67 Favored Glycine 0 C--O 1.22 -0.734 0 N-CA-C 109.373 -1.491 . . . . 25.0 109.373 177.209 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.13 -39.6 66.62 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 122.443 0.297 . . . . 25.0 111.729 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -65.88 -44.23 85.97 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.007 0.432 . . . . 25.0 111.586 178.836 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.23 85.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.147 0.498 . . . . 25.0 110.36 -178.341 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.57 -27.08 27.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.933 -0.307 . . . . 25.0 110.89 -179.223 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.23 -33.06 67.16 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.989 0.359 . . . . 25.0 111.656 -179.199 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.19 93.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 177.627 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.67 -33.69 66.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.704 0.288 . . . . 25.0 110.588 177.479 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.42 ' HA ' HG12 ' A' ' 476' ' ' VAL . 58.7 mm-40 -70.28 -45.71 65.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.021 -0.425 . . . . 25.0 111.634 -179.17 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -64.46 -27.26 68.87 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 178.604 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.55 -52.39 18.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.821 -0.627 . . . . 25.0 110.567 177.021 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -63.76 -36.75 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 118.63 0.65 . . . . 25.0 109.274 -176.646 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.95 -36.04 82.64 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.018 177.873 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.49 90.35 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.22 -179.445 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.68 -35.77 62.29 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 -179.152 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.95 65.34 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.606 0.717 . . . . 25.0 109.743 179.54 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.55 -41.79 23.5 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 177.479 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 43.4 mtm -61.24 -30.17 70.28 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 120.787 0.327 . . . . 25.0 111.074 179.318 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 28.0 p -75.77 -33.97 60.22 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.445 -0.902 . . . . 25.0 110.277 -175.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -83.8 -30.32 26.66 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.353 -0.539 . . . . 25.0 111.769 177.278 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 . . . . . 0 N--CA 1.446 -0.654 0 O-C-N 121.65 -0.656 . . . . 25.0 111.836 179.036 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 . . . . . 0 C--O 1.212 -0.901 0 CA-C-O 120.524 0.202 . . . . 25.0 110.813 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.77 -27.58 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.846 0.355 . . . . 25.0 110.322 -178.329 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.2 m -67.96 -41.23 82.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.896 -0.503 . . . . 25.0 110.324 179.388 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.78 -34.08 60.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.456 0.646 . . . . 25.0 109.363 178.767 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 48.2 ttm -59.22 -44.22 92.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.633 -0.712 . . . . 25.0 109.26 178.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.45 80.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.07 0.462 . . . . 25.0 110.283 -179.725 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.81 -46.27 66.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.422 -0.354 . . . . 25.0 111.262 -178.808 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.61 -37.2 68.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 121.018 -0.273 . . . . 25.0 110.6 -178.859 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.77 -43.2 99.31 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.495 -0.557 . . . . 25.0 109.495 177.207 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.6 91.68 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.182 -0.324 . . . . 25.0 110.577 179.011 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.53 86.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.428 179.919 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.95 -47.08 86.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.468 0.651 . . . . 25.0 109.427 179.738 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.64 -41.61 81.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.546 -0.752 . . . . 25.0 112.348 -179.494 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.72 -37.17 56.5 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.232 -0.987 . . . . 25.0 112.858 178.355 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.4 mtm -64.49 -37.84 88.94 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 118.505 0.593 . . . . 25.0 110.535 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 89.8 m -53.85 -32.38 52.79 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 121.221 0.534 . . . . 25.0 111.345 179.803 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -68.23 -43.99 76.69 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.446 -0.784 . . . . 25.0 111.29 -178.836 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -72.15 -32.83 67.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 179.683 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.11 -40.66 88.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.506 -0.77 . . . . 25.0 109.976 176.256 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 53.2 mt . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 111.996 0.369 . . . . 25.0 111.996 178.662 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -35.75 79.2 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.001 -0.437 . . . . 25.0 109.941 179.168 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.35 -31.37 72.51 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.257 -0.902 . . . . 25.0 110.411 176.477 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.64 79.21 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 108.295 -1.922 . . . . 25.0 108.295 175.174 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.47 -40.09 74.3 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 120.736 0.303 . . . . 25.0 111.138 178.121 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -66.03 -41.59 90.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.408 0.623 . . . . 25.0 110.643 178.634 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.09 83.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 25.0 110.64 -178.717 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.4 m -71.22 -27.64 30.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 C-N-CA 120.605 -0.438 . . . . 25.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.24 69.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.297 0.499 . . . . 25.0 110.374 179.45 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.19 83.07 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 176.718 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -75.99 -35.81 59.45 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.714 -0.221 . . . . 25.0 110.782 176.944 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.422 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.0 mm-40 -67.76 -46.32 72.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.911 -0.493 . . . . 25.0 111.822 -179.482 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -63.25 -27.6 69.45 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.165 -0.68 . . . . 25.0 109.165 178.316 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -51.93 16.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.777 177.39 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.0 p -64.12 -38.46 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 118.669 0.668 . . . . 25.0 109.412 -176.044 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -65.51 -34.87 79.28 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.517 -0.31 . . . . 25.0 110.221 178.125 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.76 86.99 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.664 -179.433 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.44 -36.26 60.13 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.563 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 -179.444 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.32 -35.65 72.2 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -179.654 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.4 mt -70.32 -40.35 74.21 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 121.357 0.598 . . . . 25.0 109.451 178.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 35.7 mtm -63.72 -23.74 67.49 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.399 -0.52 . . . . 25.0 112.074 179.089 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 81.3 p -82.82 -35.37 26.44 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.642 -0.823 . . . . 25.0 110.664 -178.757 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -78.08 -29.76 49.27 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.323 177.099 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.451 -0.402 0 O-C-N 121.931 -0.481 . . . . 25.0 111.888 178.013 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 C--O 1.217 -0.638 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.53 -36.15 69.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 178.668 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.4 m -67.92 -39.82 83.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.335 -0.393 . . . . 25.0 110.369 179.354 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -71.0 -33.1 70.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.531 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 3.0 mtm -64.19 -35.8 81.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 178.278 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.23 72.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.935 0.398 . . . . 25.0 109.994 179.301 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.23 -37.5 75.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 177.427 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.29 -45.6 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 177.178 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.83 -43.37 85.78 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 110.247 -0.279 . . . . 25.0 110.247 179.392 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.55 89.73 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.269 -0.269 . . . . 25.0 111.078 179.499 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.03 -41.96 90.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.833 0.349 . . . . 25.0 110.786 179.665 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 49.5 mt-10 -67.11 -42.96 83.66 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 122.421 1.105 . . . . 25.0 109.994 179.312 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 28.5 mt -58.06 -46.92 84.6 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.35 -1.296 . . . . 25.0 110.32 -179.651 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -73.74 -34.46 64.76 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 179.323 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 20.5 ptp -66.44 -32.27 73.54 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 118.829 0.74 . . . . 25.0 110.216 -179.594 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 31.3 m -66.98 -33.98 76.76 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.357 -0.537 . . . . 25.0 109.571 -179.185 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -67.93 -41.07 83.16 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 178.387 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -61.0 -45.03 96.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.874 -178.442 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.11 -36.32 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -178.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.8 mt . . . . . 0 C--N 1.323 -0.576 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 179.41 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.372 0 N-CA-C 109.716 -0.476 . . . . 25.0 109.716 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -37.42 86.47 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 122.26 -0.275 . . . . 25.0 110.412 179.703 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -60.24 -36.78 78.54 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.4 -0.812 . . . . 25.0 110.419 176.464 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.29 -44.86 73.09 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 109.076 -1.61 . . . . 25.0 109.076 176.028 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.43 -40.03 64.84 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 123.062 0.545 . . . . 25.0 111.848 -179.472 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -65.4 -43.86 89.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.09 0.471 . . . . 25.0 111.5 179.558 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.82 73.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.194 0.521 . . . . 25.0 110.643 -177.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.21 -26.49 29.53 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 CA-C-N 116.312 -0.404 . . . . 25.0 110.795 -178.971 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.7 65.68 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.432 0.56 . . . . 25.0 111.224 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.76 86.97 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.644 -0.502 . . . . 25.0 109.644 177.569 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -34.01 66.92 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 116.696 -0.229 . . . . 25.0 110.81 177.149 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.489 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.0 mm-40 -69.43 -46.51 66.63 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 -179.558 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -63.11 -26.53 68.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 178.366 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.23 -52.25 11.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.445 -0.798 . . . . 25.0 111.661 176.621 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.4 p -62.54 -36.01 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 118.86 0.755 . . . . 25.0 110.119 -175.748 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -62.26 -35.5 79.16 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.168 178.458 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.04 97.74 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.678 -0.409 . . . . 25.0 110.091 -179.843 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.2 -34.11 53.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.28 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.591 0.71 . . . . 25.0 109.452 179.477 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.6 mt -78.99 -43.19 24.93 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 176.627 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.4 mtm -61.81 -27.21 68.6 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 116.488 -0.324 . . . . 25.0 111.606 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 32.6 p -78.69 -35.49 44.99 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.655 -0.818 . . . . 25.0 110.394 -176.811 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -79.77 -30.44 40.69 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.275 -0.57 . . . . 25.0 110.277 176.386 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.328 -0.346 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 175.791 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--O 1.214 -0.773 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.04 -35.3 63.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.079 0.466 . . . . 25.0 109.936 178.948 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.5 m -67.84 -38.38 83.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.873 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -72.76 -29.6 63.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.562 . . . . 25.0 110.276 178.909 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 48.4 ttm -59.62 -35.64 74.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.598 0.359 . . . . 25.0 111.369 -179.339 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.68 72.3 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.129 0.49 . . . . 25.0 110.792 178.435 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -74.64 -34.97 62.86 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.778 -0.452 . . . . 25.0 109.778 178.64 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.68 -42.05 91.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 178.48 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.82 -44.44 90.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.042 0.449 . . . . 25.0 110.062 178.31 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.19 90.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.851 0.358 . . . . 25.0 110.566 179.177 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.41 94.77 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.525 179.864 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.35 -44.74 96.66 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 121.718 0.771 . . . . 25.0 109.906 179.406 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.96 -46.63 82.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.208 -0.906 . . . . 25.0 111.647 179.528 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.08 -34.46 64.0 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.012 0.824 . . . . 25.0 113.014 177.386 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 63.0 mtm -65.4 -35.93 82.44 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 121.681 -0.637 . . . . 25.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 92.9 m -53.5 -34.05 56.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.333 0.587 . . . . 25.0 110.841 178.941 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -67.93 -42.34 81.18 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.839 -0.538 . . . . 25.0 110.105 -178.255 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -71.13 -37.76 72.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 -179.826 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.94 -36.96 75.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.79 -1.095 . . . . 25.0 111.848 -179.748 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 50.3 mt . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 179.143 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.238 0 N-CA-C 109.76 -0.459 . . . . 25.0 109.76 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.84 -35.78 82.2 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.808 -0.442 . . . . 25.0 109.808 179.571 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -60.5 -37.23 80.41 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.769 -0.582 . . . . 25.0 109.579 178.469 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.27 -47.12 46.0 Favored Glycine 0 C--O 1.22 -0.774 0 N-CA-C 109.557 -1.417 . . . . 25.0 109.557 176.559 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.49 63.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -179.631 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -68.76 -43.53 75.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.221 0.534 . . . . 25.0 110.897 178.831 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.53 -44.15 83.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.047 0.451 . . . . 25.0 110.655 -178.131 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.0 m -69.07 -31.4 50.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 120.863 -0.335 . . . . 25.0 110.198 -179.754 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.87 -33.85 67.24 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.211 0.459 . . . . 25.0 111.346 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.6 88.07 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 177.53 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -36.85 67.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.51 0.195 . . . . 25.0 110.624 176.589 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG12 ' A' ' 476' ' ' VAL . 39.4 mm-40 -65.68 -45.66 82.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.952 0.406 . . . . 25.0 111.847 -179.155 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.45 -27.1 68.75 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.801 -0.562 . . . . 25.0 109.492 178.79 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -51.16 17.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.881 -0.599 . . . . 25.0 110.805 177.428 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.8 p -63.03 -36.31 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 118.836 0.743 . . . . 25.0 109.485 -176.15 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -62.49 -36.43 82.49 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.723 -0.671 . . . . 25.0 110.155 178.376 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.4 89.7 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.773 -0.371 . . . . 25.0 110.351 -179.4 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.51 -35.24 60.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 C-N-CA 120.543 -0.463 . . . . 25.0 109.898 -178.874 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.16 -27.82 66.01 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.412 0.625 . . . . 25.0 109.782 179.671 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -78.43 -43.12 28.08 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.259 0.552 . . . . 25.0 110.096 176.486 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.0 mtm -60.8 -26.94 67.66 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.911 -179.055 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.8 p -77.85 -37.67 47.79 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 118.841 -1.144 . . . . 25.0 109.848 -176.145 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -81.65 -23.83 36.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.758 -0.377 . . . . 25.0 111.338 178.625 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.45 -0.458 0 O-C-N 121.767 -0.583 . . . . 25.0 110.061 176.097 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.214 -0.764 0 N-CA-C 112.07 0.396 . . . . 25.0 112.07 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.14 -35.34 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 177.829 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 40.4 m -70.42 -37.56 74.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 177.649 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.39 -34.78 77.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 178.814 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.59 -38.26 86.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.35 75.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.991 0.425 . . . . 25.0 110.064 179.498 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.41 75.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 178.314 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.95 -45.43 91.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.123 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.31 -44.21 95.65 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.039 -0.356 . . . . 25.0 110.039 179.332 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.87 97.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.786 -0.188 . . . . 25.0 110.748 179.444 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.69 98.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.688 -0.233 . . . . 25.0 110.945 -179.666 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.32 -41.58 89.45 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.749 0.785 . . . . 25.0 110.069 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 52.6 mt -62.58 -45.23 93.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.92 -32.71 59.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.545 0.943 . . . . 25.0 113.545 -179.853 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 16.4 ptp -65.08 -35.11 80.12 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 118.725 0.693 . . . . 25.0 110.372 -177.893 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 26.3 m -66.62 -35.59 80.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.359 0.6 . . . . 25.0 109.835 -178.769 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -69.57 -39.05 77.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 178.18 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -63.56 -41.43 98.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.981 -1.009 . . . . 25.0 113.19 -179.4 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 24.5 m -73.97 -33.39 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 C--N 1.324 -0.532 0 N-CA-C 111.52 0.193 . . . . 25.0 111.52 179.366 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.405 0 CA-C-O 120.264 0.078 . . . . 25.0 110.984 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.83 -33.46 75.74 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 122.079 -0.388 . . . . 25.0 110.092 -179.833 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -62.98 -34.34 77.33 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.322 -0.551 . . . . 25.0 110.12 178.062 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.12 -45.27 62.75 Favored Glycine 0 C--O 1.221 -0.7 0 N-CA-C 108.422 -1.871 . . . . 25.0 108.422 175.814 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.98 67.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.398 0.279 . . . . 25.0 111.646 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.43 -46.06 84.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.135 0.493 . . . . 25.0 111.072 178.425 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.67 -44.69 81.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.34 -0.391 . . . . 25.0 110.994 -177.819 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.1 m -69.47 -28.47 38.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.902 0 C-N-CA 120.658 -0.417 . . . . 25.0 110.63 -178.885 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.7 68.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.487 0.585 . . . . 25.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.49 87.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 177.742 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -35.88 67.58 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.705 -0.225 . . . . 25.0 110.777 177.337 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.41 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.5 mm-40 -66.75 -46.54 75.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.933 -0.479 . . . . 25.0 111.781 -179.912 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -64.73 -27.15 68.71 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.096 -0.641 . . . . 25.0 109.517 178.737 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -51.57 20.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.997 176.552 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -62.75 -35.04 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 118.855 0.752 . . . . 25.0 109.808 -176.327 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -62.42 -34.98 77.82 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.664 178.096 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.39 98.78 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.843 -0.343 . . . . 25.0 110.31 179.195 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.91 -34.66 56.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.99 64.1 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.521 0.677 . . . . 25.0 110.053 179.394 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.49 -42.96 33.8 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 121.317 0.579 . . . . 25.0 109.658 176.001 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.6 mtm -62.1 -28.09 69.38 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.129 -0.357 . . . . 25.0 110.991 -179.549 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.9 p -78.7 -15.27 58.68 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.233 -0.587 . . . . 25.0 112.214 -176.426 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -107.69 -26.41 10.85 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.686 0.254 . . . . 25.0 111.686 176.481 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 . . . . . 0 N--CA 1.449 -0.479 0 O-C-N 121.812 -0.555 . . . . 25.0 112.116 177.349 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.216 -0.684 0 CA-C-O 121.086 0.469 . . . . 25.0 110.88 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.73 -30.86 49.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 -177.746 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.9 m -66.0 -39.44 90.3 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.954 -0.466 . . . . 25.0 110.433 178.649 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -72.84 -37.39 67.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.699 0.761 . . . . 25.0 109.248 179.4 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 30.3 ttm -63.21 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.732 -0.667 . . . . 25.0 109.384 -178.733 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.97 74.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.555 . . . . 25.0 109.878 178.815 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.42 75.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 178.977 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.52 -45.79 91.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.292 0.567 . . . . 25.0 109.514 178.047 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.65 -42.24 96.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 179.019 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.33 87.05 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.163 -0.31 . . . . 25.0 110.163 178.59 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.26 92.79 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.966 0.412 . . . . 25.0 110.098 179.612 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -64.12 -44.49 92.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.48 0.657 . . . . 25.0 109.302 179.438 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.77 -42.7 99.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.76 -0.655 . . . . 25.0 111.613 -179.878 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -73.72 -32.04 63.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 119.155 -1.018 . . . . 25.0 112.389 -178.625 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 61.8 mtm -69.11 -35.47 76.46 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.017 0.371 . . . . 25.0 110.381 176.794 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.4 m -54.17 -30.12 48.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.56 0.695 . . . . 25.0 110.706 178.542 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -63.58 -41.66 98.35 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.9 -0.5 . . . . 25.0 111.889 -179.275 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -74.64 -37.29 62.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.311 0.577 . . . . 25.0 109.57 178.465 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.38 -40.48 81.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.636 178.805 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 42.3 mt . . . . . 0 C--N 1.325 -0.481 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 178.675 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 110.24 -0.282 . . . . 25.0 110.24 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -37.22 86.9 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 120.998 -0.281 . . . . 25.0 110.435 -179.831 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -63.69 -32.27 73.71 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.866 -0.521 . . . . 25.0 110.967 178.155 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -64.63 -46.58 89.6 Favored Glycine 0 C--O 1.219 -0.84 0 N-CA-C 107.703 -2.159 . . . . 25.0 107.703 175.741 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.84 71.11 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 120.693 0.283 . . . . 25.0 111.679 178.677 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -66.63 -43.53 84.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.294 0.569 . . . . 25.0 110.989 178.44 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.33 83.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.257 -0.429 . . . . 25.0 110.672 -178.505 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.85 -27.1 31.86 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 CA-C-O 119.049 -0.5 . . . . 25.0 110.531 -179.656 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.79 74.26 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.732 0.696 . . . . 25.0 110.396 179.449 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.44 87.25 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 178.186 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.8 -32.09 65.3 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.033 -0.53 . . . . 25.0 110.809 178.019 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -69.9 -44.68 69.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.195 -0.316 . . . . 25.0 110.936 -179.666 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -65.99 -27.41 68.12 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.041 -0.664 . . . . 25.0 109.804 177.547 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -50.6 31.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.459 176.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.86 -36.63 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.854 -0.738 . . . . 25.0 109.787 -178.521 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -63.94 -35.31 80.25 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.69 177.156 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 481' ' ' LEU . . . -59.96 -42.61 94.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.928 -0.482 . . . . 25.0 110.592 179.487 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.96 -34.97 52.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -179.49 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.56 -25.59 64.67 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.594 0.711 . . . . 25.0 109.943 178.479 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 478' ' ' ALA . 15.2 mt -78.08 -41.19 36.13 Favored 'General case' 0 C--O 1.21 -1.005 0 O-C-N 121.734 -0.604 . . . . 25.0 109.538 176.244 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.0 mtm -63.81 -30.04 71.17 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.413 -0.515 . . . . 25.0 111.069 -179.836 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 44.4 p -75.72 -36.94 59.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.113 -0.635 . . . . 25.0 110.412 -177.465 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -79.82 -26.55 40.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.193 -0.603 . . . . 25.0 111.388 176.852 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.329 -0.285 0 O-C-N 121.68 -0.638 . . . . 25.0 110.789 176.449 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 . . . . . 0 C--O 1.213 -0.854 0 N-CA-C 110.118 -0.327 . . . . 25.0 110.118 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.22 -33.87 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 175.284 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 40.3 m -69.4 -38.59 78.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.664 -0.647 . . . . 25.0 110.289 179.035 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -71.91 -33.2 68.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.004 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.8 mtp -61.96 -44.85 95.9 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 178.587 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.54 -35.77 80.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.122 0.487 . . . . 25.0 110.562 -177.534 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.08 62.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.115 -0.493 . . . . 25.0 111.528 -179.868 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.5 p -70.97 -36.2 62.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 121.02 -0.272 . . . . 25.0 111.155 -177.333 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -59.46 -47.27 86.14 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 177.095 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.1 94.62 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.054 -0.404 . . . . 25.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.72 75.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.083 -0.508 . . . . 25.0 111.738 -179.3 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.38 -31.17 68.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.434 -0.791 . . . . 25.0 110.301 -178.394 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 30.4 mt -62.68 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.577 -0.449 . . . . 25.0 110.145 178.255 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.67 -35.51 65.22 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.965 -0.694 . . . . 25.0 111.767 178.105 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 65.5 mtm -66.28 -32.3 73.63 Favored 'General case' 0 CA--C 1.514 -0.408 0 O-C-N 122.0 -0.437 . . . . 25.0 110.46 178.777 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.8 m -59.86 -36.8 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 176.905 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -66.98 -43.95 81.69 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.969 -1.123 . . . . 25.0 107.969 179.231 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.67 -45.08 95.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -177.702 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.64 -39.75 78.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.127 0.418 . . . . 25.0 112.127 -178.642 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.4 mt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 122.146 -0.346 . . . . 25.0 111.267 179.463 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -36.69 79.76 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.44 -178.704 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -65.9 -29.21 69.6 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.389 -0.924 . . . . 25.0 110.627 179.83 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.79 -44.04 40.02 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 107.878 -2.089 . . . . 25.0 107.878 174.444 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.35 64.62 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 122.756 0.423 . . . . 25.0 111.759 179.689 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -66.63 -41.9 87.59 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 178.482 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.84 -46.44 68.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 25.0 110.355 -178.176 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -65.69 -30.72 50.99 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 179.775 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.27 -27.42 55.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 179.88 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.14 93.32 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 176.843 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.86 65.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.91 0.386 . . . . 25.0 110.577 175.829 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.445 ' HA ' HG12 ' A' ' 476' ' ' VAL . 61.9 mm-40 -72.12 -45.78 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.464 0.649 . . . . 25.0 111.788 -176.378 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -63.64 -27.96 69.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 178.006 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.51 -52.86 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.069 -0.514 . . . . 25.0 110.56 177.414 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.9 p -62.1 -35.72 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 121.442 0.639 . . . . 25.0 109.588 -176.53 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -62.71 -37.06 85.03 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.804 -0.634 . . . . 25.0 110.657 178.216 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.64 91.12 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.897 -0.321 . . . . 25.0 110.358 -179.658 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.45 -34.19 47.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 C-N-CA 120.428 -0.509 . . . . 25.0 109.865 -179.87 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.54 -27.2 67.46 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.387 0.613 . . . . 25.0 109.941 -179.922 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.33 -41.55 48.01 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 177.368 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.2 mtm -63.84 -27.41 69.15 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.801 -0.636 . . . . 25.0 111.932 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.1 p -82.31 -34.35 28.65 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.519 -0.872 . . . . 25.0 109.903 -176.448 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -78.88 -26.47 43.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.141 -0.624 . . . . 25.0 110.432 177.096 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 N--CA 1.45 -0.447 0 O-C-N 121.831 -0.543 . . . . 25.0 111.744 176.21 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 . . . . . 0 C--O 1.213 -0.864 0 N-CA-C 112.042 0.386 . . . . 25.0 112.042 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.62 -38.2 75.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 121.966 -0.459 . . . . 25.0 109.84 -179.313 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 90.8 p -74.45 -33.6 62.96 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.89 -0.506 . . . . 25.0 111.402 -179.159 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -69.96 -33.98 72.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.445 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 56.4 ttp -71.42 -34.44 70.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.676 . . . . 25.0 109.818 -178.911 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.69 73.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 178.051 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.2 80.35 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 177.381 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.08 -44.42 91.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 177.828 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -58.29 -43.77 88.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.935 0.398 . . . . 25.0 110.197 179.017 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.6 91.62 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.775 0.321 . . . . 25.0 110.906 179.06 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.15 86.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.461 -0.336 . . . . 25.0 110.637 179.413 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.27 -42.18 99.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.32 0.581 . . . . 25.0 109.452 179.462 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 46.8 mt -60.19 -44.17 95.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.911 -0.586 . . . . 25.0 111.196 179.426 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -74.26 -34.57 63.64 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.331 -0.948 . . . . 25.0 113.018 178.644 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.0 mtm -62.62 -37.58 86.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 178.151 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 54.9 m -59.97 -38.79 83.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.762 0.315 . . . . 25.0 110.719 177.944 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -64.75 -48.32 74.99 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 179.394 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -46.22 89.14 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.741 -1.118 . . . . 25.0 113.016 -177.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 30.7 m -67.47 -35.65 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 120.53 -0.468 . . . . 25.0 112.177 -179.546 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 70.3 mt . . . . . 0 C--N 1.323 -0.561 0 O-C-N 122.17 -0.331 . . . . 25.0 111.11 178.134 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 110.314 -0.254 . . . . 25.0 110.314 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -33.67 74.31 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 122.004 -0.435 . . . . 25.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -60.75 -35.8 77.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.682 -0.636 . . . . 25.0 109.735 176.11 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.06 -43.66 71.22 Favored Glycine 0 C--O 1.223 -0.584 0 N-CA-C 108.973 -1.651 . . . . 25.0 108.973 175.465 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.34 -39.3 66.97 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 122.681 0.392 . . . . 25.0 111.622 179.706 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -65.2 -44.19 89.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.02 0.438 . . . . 25.0 111.392 178.479 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.77 80.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.232 0.539 . . . . 25.0 110.664 -178.209 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.97 -26.61 30.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.797 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.78 -179.163 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.63 -33.95 66.8 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.137 0.426 . . . . 25.0 111.319 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.14 89.97 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 177.576 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.59 -32.18 65.78 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.703 -0.226 . . . . 25.0 110.771 176.895 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.486 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.0 mm-40 -71.33 -45.53 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.989 -0.445 . . . . 25.0 112.144 -178.525 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.36 -27.08 68.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 178.243 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.27 -52.76 9.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.572 178.122 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.4 p -62.95 -37.06 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 118.57 0.623 . . . . 25.0 110.157 -175.406 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -63.23 -35.85 81.71 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.139 178.465 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.32 -44.74 96.69 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.407 -0.517 . . . . 25.0 109.937 -179.065 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.48 -35.29 61.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.001 -179.068 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.08 62.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.365 0.602 . . . . 25.0 109.601 179.484 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.39 -43.31 19.18 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 121.091 0.472 . . . . 25.0 109.773 177.298 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.3 mtm -60.72 -28.97 69.06 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.935 0.398 . . . . 25.0 111.501 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 25.4 p -77.64 -17.15 58.03 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.231 -0.587 . . . . 25.0 112.266 -175.404 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -103.98 -33.7 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.539 -0.301 . . . . 25.0 110.319 175.999 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.328 -0.356 0 O-C-N 121.814 -0.554 . . . . 25.0 110.162 177.85 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--O 1.213 -0.853 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.86 -33.19 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 178.902 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.3 m -70.66 -37.87 73.74 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 177.18 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -68.01 -33.86 75.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.416 -0.586 . . . . 25.0 109.416 178.471 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 40.8 ttm -61.12 -42.92 99.42 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.725 -0.671 . . . . 25.0 109.942 179.25 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.02 77.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.341 0.591 . . . . 25.0 110.521 -178.537 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.31 -46.75 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.063 -0.517 . . . . 25.0 111.154 -179.213 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.4 p -71.01 -36.09 61.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.241 -177.188 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -54.82 -43.28 72.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.901 0.382 . . . . 25.0 111.117 177.888 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.22 90.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.029 0.442 . . . . 25.0 110.607 179.354 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.33 -41.21 73.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.573 179.42 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -60.27 -40.47 90.48 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.267 0.556 . . . . 25.0 109.808 -179.5 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.23 -47.12 87.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.257 179.951 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.74 -32.2 63.74 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.258 -0.977 . . . . 25.0 112.572 178.983 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 72.3 mtm -66.62 -37.69 85.38 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.962 -0.461 . . . . 25.0 109.808 178.408 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 79.0 m -58.03 -37.52 74.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.259 0.552 . . . . 25.0 110.554 178.281 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -65.58 -45.46 83.17 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.952 0.882 . . . . 25.0 109.089 178.59 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -65.19 -43.19 92.42 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.679 1.363 . . . . 25.0 114.679 -178.032 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 16.1 m -67.35 -28.31 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 112.743 0.646 . . . . 25.0 112.743 -178.438 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 116.011 -0.541 . . . . 25.0 111.98 177.46 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.191 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -35.74 81.99 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 120.746 -0.381 . . . . 25.0 111.648 -177.304 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.17 -27.86 65.9 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.874 -0.73 . . . . 25.0 110.503 178.106 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.15 -40.81 61.15 Favored Glycine 0 C--O 1.221 -0.709 0 N-CA-C 108.112 -1.995 . . . . 25.0 108.112 174.302 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.87 -31.87 51.24 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.207 0.527 . . . . 25.0 111.747 178.34 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -76.36 -38.46 55.78 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.872 -0.518 . . . . 25.0 111.295 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.48 75.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -178.872 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.1 m -67.43 -31.53 53.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 179.573 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.19 -28.46 64.82 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 122.071 -0.393 . . . . 25.0 111.679 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.07 88.94 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 177.04 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.64 -39.16 67.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.087 -0.338 . . . . 25.0 110.087 176.404 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG12 ' A' ' 476' ' ' VAL . 35.3 mm-40 -64.15 -45.97 86.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -179.314 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.79 -27.17 68.71 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.476 -0.765 . . . . 25.0 109.756 178.888 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -51.57 17.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.379 177.39 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.3 p -62.67 -36.62 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 118.832 0.742 . . . . 25.0 109.181 -176.41 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -62.46 -36.52 82.72 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.704 -0.68 . . . . 25.0 110.09 178.706 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.82 91.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.504 -179.65 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.2 -33.25 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.446 -0.502 . . . . 25.0 109.894 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.71 67.76 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 179.134 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.37 -44.16 37.55 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.389 0.614 . . . . 25.0 109.958 177.448 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.8 mtm -62.21 -26.58 68.44 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 116.136 -0.484 . . . . 25.0 111.681 -179.388 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 21.6 p -81.96 -34.3 29.82 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 119.217 -0.993 . . . . 25.0 109.813 -176.198 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -78.55 -31.89 47.64 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.906 -0.718 . . . . 25.0 110.246 176.665 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 176.542 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 . . . . . 0 C--O 1.215 -0.728 0 N-CA-C 112.465 0.542 . . . . 25.0 112.465 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 88.5 t -62.75 -27.59 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 179.205 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 5.8 m -66.92 -41.63 86.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.175 0.512 . . . . 25.0 111.431 177.903 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.77 -31.07 59.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.695 0.76 . . . . 25.0 108.985 -179.042 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.2 mtp -60.3 -45.4 93.5 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.34 -0.845 . . . . 25.0 109.203 177.806 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.98 74.29 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.977 0.418 . . . . 25.0 111.11 -179.029 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.21 -47.4 61.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.801 0.334 . . . . 25.0 111.16 -179.621 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.85 -34.2 55.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-O 120.756 0.312 . . . . 25.0 110.793 -178.886 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -59.21 -43.8 92.26 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 175.729 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.38 84.14 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.831 0.348 . . . . 25.0 110.419 178.55 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.03 -42.61 84.59 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 116.454 -0.339 . . . . 25.0 110.465 178.798 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.53 -41.11 98.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.701 0.762 . . . . 25.0 109.874 179.401 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.06 -40.7 94.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.512 -0.767 . . . . 25.0 110.493 178.568 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -33.66 64.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 119.657 -0.817 . . . . 25.0 110.446 178.393 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.4 tpp -63.27 -30.25 71.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 25.0 110.81 179.454 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 59.1 m -52.94 -37.34 60.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.935 -0.575 . . . . 25.0 112.41 -179.037 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 28.2 ptt-85 -65.67 -33.14 75.21 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.185 -0.947 . . . . 25.0 111.354 -178.451 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.74 -48.19 22.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 -178.734 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.8 m -63.29 -29.52 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 115.268 1.581 . . . . 25.0 115.268 -174.595 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 C--N 1.32 -0.681 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.416 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -35.47 80.53 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 111.901 0.334 . . . . 25.0 111.901 -175.33 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -60.59 -27.75 67.97 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.831 -0.747 . . . . 25.0 111.518 179.146 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -84.1 -40.92 8.31 Favored Glycine 0 C--O 1.219 -0.783 0 N-CA-C 108.677 -1.769 . . . . 25.0 108.677 174.76 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.1 68.99 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 -179.107 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -64.71 -44.67 89.47 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.211 0.529 . . . . 25.0 111.371 178.605 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.45 83.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.476 -177.854 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.6 m -70.95 -31.28 44.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.408 -179.51 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.55 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.372 0.533 . . . . 25.0 110.885 -179.074 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.64 84.42 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 177.782 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.71 -34.27 67.0 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.557 0.218 . . . . 25.0 111.287 177.872 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -69.44 -42.59 74.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.14 0.495 . . . . 25.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -72.12 -26.17 62.02 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.268 -0.895 . . . . 25.0 109.903 177.519 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -49.8 66.93 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 175.675 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.29 -35.31 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -177.144 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -61.47 -38.38 87.02 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.419 -0.81 . . . . 25.0 109.97 177.689 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.11 93.14 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.14 -0.35 . . . . 25.0 111.062 -179.324 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.3 mp -71.92 -34.05 49.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 120.386 -0.526 . . . . 25.0 109.64 -179.208 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.77 -29.46 66.81 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.524 0.678 . . . . 25.0 109.421 179.644 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.47 -43.26 40.64 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.659 0.742 . . . . 25.0 109.42 177.349 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.5 mtm -62.76 -25.18 68.08 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 116.057 -0.52 . . . . 25.0 112.112 -179.411 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 29.5 p -82.65 -34.16 27.55 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.828 -0.749 . . . . 25.0 110.255 -177.095 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -80.13 -29.52 38.92 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.112 -0.635 . . . . 25.0 110.672 176.404 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 N--CA 1.438 -1.026 0 O-C-N 121.618 -0.676 . . . . 25.0 110.607 177.017 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.759 0 CA-C-O 124.608 2.226 . . . . 25.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 99.8 p -78.31 -6.23 54.44 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 112.758 -1.721 . . . . 25.0 111.68 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 62.09 45.21 7.32 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.836 0.854 . . . . 25.0 109.531 -176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 3.5 t 77.82 -162.89 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.478 1.511 . . . . 25.0 109.876 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -81.79 158.87 23.96 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.411 -0.589 . . . . 25.0 109.411 179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.6 m -88.5 146.17 25.33 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 107.254 -1.387 . . . . 25.0 107.254 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.85 -21.76 63.33 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.411 -0.813 . . . . 25.0 110.906 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.64 -32.3 67.42 Favored Glycine 0 C--O 1.22 -0.731 0 N-CA-C 111.003 -0.839 . . . . 25.0 111.003 176.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -68.76 -39.45 80.24 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 63.8 t -67.25 -33.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.111 0.482 . . . . 25.0 109.981 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 61.2 m -66.27 -39.51 89.48 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.857 -0.337 . . . . 25.0 111.205 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.65 -36.12 62.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.711 0.767 . . . . 25.0 109.056 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 61.3 ttp -63.04 -37.23 86.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.739 -0.664 . . . . 25.0 109.898 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.61 -30.78 71.8 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.504 -0.316 . . . . 25.0 110.806 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.32 -39.69 78.08 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.01 -43.55 92.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.388 -0.597 . . . . 25.0 109.388 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -57.73 -45.76 85.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.353 . . . . 25.0 110.147 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.84 -39.44 93.58 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.693 0.282 . . . . 25.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.53 -45.19 84.39 Favored 'General case' 0 C--O 1.217 -0.622 0 CA-C-N 116.299 -0.409 . . . . 25.0 110.537 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.85 -42.51 99.78 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 121.635 0.731 . . . . 25.0 110.328 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 35.1 mt -57.27 -43.05 82.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.082 178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -76.15 -32.14 58.94 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 119.454 -0.898 . . . . 25.0 113.274 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.7 tpp -62.88 -35.11 78.94 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.045 0.45 . . . . 25.0 110.018 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 73.8 m -57.15 -35.36 69.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.365 0.602 . . . . 25.0 110.169 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -67.02 -42.69 84.46 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.879 -0.786 . . . . 25.0 108.879 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -63.36 -44.97 93.3 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.378 -177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 21.8 m -69.08 -33.68 59.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -178.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.2 mt -66.99 -38.95 86.94 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 122.295 -0.253 . . . . 25.0 110.6 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -75.24 -11.35 60.05 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.255 -0.278 . . . . 25.0 111.597 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -101.68 6.35 41.87 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 176.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -87.62 167.59 37.12 Favored Glycine 0 N--CA 1.451 -0.322 0 N-CA-C 110.838 -0.905 . . . . 25.0 110.838 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 68.73 160.17 0.18 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 123.133 1.444 . . . . 25.0 111.446 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -132.5 158.41 42.18 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 113.67 -1.605 . . . . 25.0 108.643 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -82.13 12.08 4.61 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -68.29 -34.38 76.04 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.35 -1.295 . . . . 25.0 110.005 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -116.2 27.72 9.06 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.445 -0.798 . . . . 25.0 109.94 -178.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -113.62 46.53 1.28 Allowed 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.472 0.915 . . . . 25.0 113.472 -173.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -67.4 141.05 95.44 Favored Pre-proline 0 C--N 1.322 -0.621 0 N-CA-C 109.916 -0.402 . . . . 25.0 109.916 177.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -77.01 161.84 32.49 Favored 'Trans proline' 0 C--N 1.346 0.423 0 CA-C-O 121.624 0.593 . . . . 25.0 112.516 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -155.92 -37.59 0.02 OUTLIER Glycine 0 C--O 1.228 -0.281 0 CA-C-N 115.686 -0.688 . . . . 25.0 114.65 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.28 125.44 19.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.924 0.392 . . . . 25.0 110.135 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 58.2 m -150.27 152.0 33.84 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -165.35 31.8 0.23 Allowed Glycine 0 C--O 1.223 -0.552 0 C-N-CA 120.685 -0.769 . . . . 25.0 113.611 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -140.47 130.23 24.42 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.365 -0.491 . . . . 25.0 110.09 -178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.7 m -86.06 122.9 30.73 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.031 -0.359 . . . . 25.0 110.031 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -61.85 129.17 39.69 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 13.8 m80 -105.75 -71.58 0.74 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.964 -0.562 . . . . 25.0 109.927 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -61.71 -27.91 69.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.331 0.586 . . . . 25.0 110.984 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.73 -33.78 79.24 Favored Glycine 0 C--O 1.224 -0.507 0 CA-C-N 115.566 -0.743 . . . . 25.0 111.956 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -64.59 -39.44 93.73 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 121.945 -0.738 . . . . 25.0 110.208 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -66.13 -35.29 80.09 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.507 -0.553 . . . . 25.0 109.507 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.99 -44.42 84.9 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -36.8 84.36 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 122.179 -0.325 . . . . 25.0 110.611 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -59.29 -34.74 72.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.48 -0.763 . . . . 25.0 111.08 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.65 -48.5 55.87 Favored Glycine 0 C--O 1.22 -0.742 0 N-CA-C 108.02 -2.032 . . . . 25.0 108.02 175.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.33 63.19 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -69.33 -41.78 76.19 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.061 -0.399 . . . . 25.0 111.7 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.19 -44.37 79.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.325 0.583 . . . . 25.0 110.32 -178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -69.72 -26.46 30.67 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.545 0 CA-C-N 116.224 -0.443 . . . . 25.0 110.705 -179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.9 -30.56 61.79 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.63 91.69 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -36.47 67.91 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.995 -0.372 . . . . 25.0 109.995 176.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.448 ' HA ' HG12 ' A' ' 476' ' ' VAL . 72.4 mm-40 -65.82 -47.23 75.73 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.473 0.546 . . . . 25.0 112.473 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.2 ptm180 -62.67 -28.16 69.74 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.471 -0.492 . . . . 25.0 109.683 178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.91 -51.84 16.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.993 -0.549 . . . . 25.0 110.793 176.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.2 p -63.23 -35.51 72.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 118.786 0.721 . . . . 25.0 109.596 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -62.1 -36.18 80.95 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.818 -0.628 . . . . 25.0 110.509 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.05 -43.91 91.74 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.785 -0.366 . . . . 25.0 110.451 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.52 -32.9 43.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 C-N-CA 120.473 -0.491 . . . . 25.0 109.817 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.65 -29.12 67.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.35 0.595 . . . . 25.0 109.47 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.35 -42.96 43.08 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-O 121.42 0.629 . . . . 25.0 109.615 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -63.28 -26.89 68.99 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-N 116.386 -0.37 . . . . 25.0 111.874 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 20.0 p -83.79 -33.6 24.93 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.902 -0.719 . . . . 25.0 109.947 -176.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -78.88 -25.78 43.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.048 -0.661 . . . . 25.0 110.204 176.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -81.16 -13.61 58.46 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 121.769 -0.582 . . . . 25.0 110.584 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 63.04 27.44 70.45 Favored Glycine 0 C--O 1.229 -0.204 0 N-CA-C 111.418 -0.673 . . . . 25.0 111.418 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 43.25 32.47 0.47 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.087 1.355 . . . . 25.0 113.999 -174.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -90.46 -179.42 5.58 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.11 -0.95 . . . . 25.0 108.678 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 147.42 -41.58 0.93 Allowed Glycine 0 C--O 1.223 -0.581 0 CA-C-O 121.941 0.745 . . . . 25.0 111.818 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.211 -0.958 0 CA-C-O 124.226 1.965 . . . . 25.0 111.757 178.223 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.117 0 CA-C-O 123.049 1.36 . . . . 25.0 112.91 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 2.6 m -73.96 40.11 0.12 Allowed 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.92 1.822 . . . . 25.0 115.92 -176.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 85.2 mtt85 50.43 56.71 7.52 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.193 0.597 . . . . 25.0 111.862 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -37.54 75.65 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 116.358 1.985 . . . . 25.0 116.358 -176.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -162.44 133.46 5.0 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.929 1.085 . . . . 25.0 113.929 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 19.3 m -141.15 123.23 15.55 Favored 'General case' 0 C--O 1.215 -0.746 0 N-CA-C 106.634 -1.617 . . . . 25.0 106.634 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.47 -39.39 87.44 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 -171.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -69.97 -45.15 58.55 Favored Glycine 0 C--O 1.218 -0.861 0 C-N-CA 120.031 -1.081 . . . . 25.0 111.05 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -62.95 -39.14 93.73 Favored 'General case' 0 C--O 1.215 -0.732 0 N-CA-C 110.281 -0.266 . . . . 25.0 110.281 -178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.35 -34.71 71.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 122.226 -0.296 . . . . 25.0 110.392 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.1 m -67.8 -40.51 83.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.813 -0.554 . . . . 25.0 109.782 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -70.66 -32.23 69.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.9 mtp -63.52 -40.97 98.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.946 0.403 . . . . 25.0 110.724 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.35 -33.27 73.98 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.41 0.624 . . . . 25.0 109.969 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.33 -44.76 64.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.094 -0.503 . . . . 25.0 111.312 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.75 -31.54 51.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.668 0 C-N-CA 120.908 -0.317 . . . . 25.0 111.032 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -55.55 -44.25 76.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -68.0 -37.43 81.46 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 122.202 -0.311 . . . . 25.0 110.925 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.76 -43.52 93.02 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.45 -0.341 . . . . 25.0 110.673 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -60.65 -46.62 89.63 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 121.487 0.66 . . . . 25.0 109.433 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 56.7 mt -57.89 -44.66 86.86 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.444 -0.798 . . . . 25.0 112.046 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -74.76 -32.94 62.2 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 119.404 -0.919 . . . . 25.0 112.398 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 70.2 mtm -67.67 -33.86 75.77 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.491 0.587 . . . . 25.0 110.25 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 89.9 m -56.48 -36.99 69.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 177.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 75.1 mtp180 -65.4 -40.16 93.08 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 121.565 -0.709 . . . . 25.0 110.412 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -67.81 -44.32 77.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.18 -0.464 . . . . 25.0 111.735 -177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.78 -32.34 54.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 77.8 mt -69.12 -19.85 64.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.578 0.228 . . . . 25.0 111.482 177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -96.88 -6.57 35.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.707 0.289 . . . . 25.0 111.203 177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -88.33 136.63 32.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 -174.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -90.86 79.36 1.39 Allowed Glycine 0 C--O 1.23 -0.115 0 N-CA-C 110.197 -1.161 . . . . 25.0 110.197 176.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -143.7 174.61 10.64 Favored 'General case' 0 N--CA 1.442 -0.865 0 N-CA-C 106.784 -1.562 . . . . 25.0 106.784 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -83.05 158.05 22.64 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 107.208 -1.404 . . . . 25.0 107.208 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -126.97 46.57 2.48 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.976 -0.75 . . . . 25.0 108.976 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -72.1 -32.58 67.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -87.82 33.06 0.72 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.521 -0.763 . . . . 25.0 111.566 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -120.83 54.62 1.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -60.17 138.21 91.45 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.575 -0.739 . . . . 25.0 110.932 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -75.49 149.18 34.39 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 118.051 -0.833 . . . . 25.0 113.42 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -159.16 -160.96 10.76 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 108.714 -1.754 . . . . 25.0 108.714 179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 12.9 p -79.85 147.0 6.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 106.236 -1.765 . . . . 25.0 106.236 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 33.3 t -146.96 147.07 30.36 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.148 -1.056 . . . . 25.0 108.148 179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 87.55 154.7 27.29 Favored Glycine 0 C--O 1.226 -0.351 0 N-CA-C 111.28 -0.728 . . . . 25.0 111.28 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -66.6 -19.22 65.72 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.203 0.445 . . . . 25.0 112.203 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 43.4 t -143.19 115.73 8.6 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.081 0.467 . . . . 25.0 110.09 178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -79.62 128.62 33.61 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -110.35 -67.23 1.01 Allowed 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -60.27 -35.38 75.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.069 0.461 . . . . 25.0 111.167 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.56 -33.88 88.44 Favored Glycine 0 C--O 1.222 -0.637 0 C-N-CA 121.111 -0.566 . . . . 25.0 111.895 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -70.87 -41.16 71.74 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 117.698 0.749 . . . . 25.0 109.976 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -63.77 -38.22 90.28 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 119.88 -0.728 . . . . 25.0 109.289 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.5 -47.92 74.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.471 -0.331 . . . . 25.0 110.823 177.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.27 -37.54 87.52 Favored 'General case' 0 C--O 1.211 -0.935 0 C-N-CA 120.796 -0.362 . . . . 25.0 111.39 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -58.12 -36.56 73.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 118.93 0.786 . . . . 25.0 110.915 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.11 -49.06 42.92 Favored Glycine 0 C--O 1.219 -0.794 0 N-CA-C 108.689 -1.764 . . . . 25.0 108.689 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.26 67.2 Favored 'General case' 0 C--O 1.216 -0.676 0 N-CA-C 112.417 0.525 . . . . 25.0 112.417 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -71.04 -43.82 67.09 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.103 0.478 . . . . 25.0 110.603 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.33 95.73 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.12 -33.84 52.68 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.203 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.729 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -60.15 -35.34 75.07 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 119.06 0.845 . . . . 25.0 111.226 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.85 88.91 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.434 -0.58 . . . . 25.0 109.434 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.78 67.78 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 116.798 -0.183 . . . . 25.0 110.562 176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.416 ' HA ' HG12 ' A' ' 476' ' ' VAL . 46.1 mm-40 -65.13 -46.47 80.86 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.015 -0.428 . . . . 25.0 111.789 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -64.67 -27.47 68.95 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.791 -0.568 . . . . 25.0 109.548 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.23 -53.18 11.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.734 -0.666 . . . . 25.0 110.628 176.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.5 p -63.25 -36.04 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 118.58 0.627 . . . . 25.0 109.906 -175.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -63.76 -33.63 76.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 116.281 -0.418 . . . . 25.0 110.525 179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.13 99.48 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.652 -0.419 . . . . 25.0 109.996 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.73 -34.1 50.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.9 -26.93 64.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.486 0.66 . . . . 25.0 109.843 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.4 mt -78.24 -42.72 30.3 Favored 'General case' 0 C--O 1.214 -0.8 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.4 mtm -62.53 -26.06 68.37 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 111.892 0.33 . . . . 25.0 111.892 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.6 p -79.3 -35.74 40.71 Favored 'General case' 0 C--N 1.318 -0.78 0 C-N-CA 119.413 -0.915 . . . . 25.0 110.467 -177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -79.94 -32.9 40.0 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.262 -0.575 . . . . 25.0 110.476 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -72.87 -27.35 61.86 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.925 -0.768 . . . . 25.0 108.925 177.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -82.4 10.66 54.16 Favored Glycine 0 C--O 1.225 -0.426 0 CA-C-N 115.93 -0.577 . . . . 25.0 112.441 177.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 85.2 mtt-85 51.06 39.06 22.32 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.718 1.207 . . . . 25.0 114.222 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.01 68.47 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 120.815 0.341 . . . . 25.0 111.318 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -86.65 33.53 3.69 Favored Glycine 0 C--O 1.224 -0.481 0 C-N-CA 121.23 -0.51 . . . . 25.0 112.729 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.485 1.312 0 C-N-CA 126.788 2.035 . . . . 25.0 115.163 -179.859 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 CA-C-O 122.906 1.281 . . . . 25.0 112.792 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 88.6 p -154.77 174.3 15.24 Favored 'General case' 0 C--N 1.334 -0.091 0 O-C-N 121.237 -1.155 . . . . 25.0 108.377 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -83.26 110.14 17.83 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.447 -0.945 . . . . 25.0 108.447 178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 34.5 p -106.09 0.92 25.89 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.386 0.884 . . . . 25.0 113.386 -178.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -149.57 161.59 41.84 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.389 -1.337 . . . . 25.0 107.389 -178.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -86.01 130.95 34.38 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 122.331 1.063 . . . . 25.0 109.587 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.09 -21.69 64.04 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.833 -1.076 . . . . 25.0 110.901 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.53 -33.56 81.72 Favored Glycine 0 C--O 1.22 -0.734 0 C-N-CA 120.617 -0.801 . . . . 25.0 111.431 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.02 -41.52 86.5 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 52.4 t -72.03 -26.28 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.9 -0.591 . . . . 25.0 110.753 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.7 m -67.48 -39.34 85.26 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.577 -0.702 . . . . 25.0 109.538 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -75.84 -31.88 59.54 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.146 -0.687 . . . . 25.0 109.146 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 42.9 ttm -60.74 -39.28 88.12 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 115.768 -0.651 . . . . 25.0 109.464 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.25 -32.36 72.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.864 0.364 . . . . 25.0 111.087 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.6 -46.44 59.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.769 0.318 . . . . 25.0 110.614 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.8 p -69.04 -33.12 57.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.697 0 C-N-CA 121.112 -0.235 . . . . 25.0 110.438 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.46 -43.53 79.66 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.958 0.408 . . . . 25.0 110.005 175.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.57 87.99 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 122.093 -0.379 . . . . 25.0 110.601 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.78 -42.29 81.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.332 -0.395 . . . . 25.0 110.278 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -61.85 -43.21 99.32 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 109.62 -0.511 . . . . 25.0 109.62 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 48.2 mt -57.78 -45.79 85.52 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.128 -0.487 . . . . 25.0 112.098 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -73.74 -33.61 64.39 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 119.357 -0.937 . . . . 25.0 111.92 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 72.5 mtm -66.99 -34.63 78.17 Favored 'General case' 0 C--O 1.221 -0.418 0 O-C-N 121.802 -0.561 . . . . 25.0 109.52 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 85.6 m -61.58 -38.56 88.01 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.64 -38.31 86.64 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.43 -0.582 . . . . 25.0 109.43 178.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -65.47 -48.54 72.3 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 35.6 m -69.44 -36.76 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.99 -19.09 63.35 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.195 -0.315 . . . . 25.0 111.637 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -96.89 -2.47 43.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.443 0.163 . . . . 25.0 110.79 178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -99.9 143.76 29.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.395 0.616 . . . . 25.0 111.506 -176.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -163.29 143.54 8.75 Favored Glycine 0 C--O 1.224 -0.512 0 N-CA-C 109.308 -1.517 . . . . 25.0 109.308 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -146.15 29.19 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.377 0.608 . . . . 25.0 109.383 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -132.57 -49.22 0.9 Allowed 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 114.721 1.378 . . . . 25.0 114.721 -176.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 61.86 28.3 17.3 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.251 0.969 . . . . 25.0 111.138 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -65.69 -28.04 68.78 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 116.148 -0.478 . . . . 25.0 111.345 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -150.53 83.88 1.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -141.23 30.76 1.76 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.015 -0.993 . . . . 25.0 109.319 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -73.91 130.8 82.48 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 120.4 -0.52 . . . . 25.0 112.008 -177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -78.03 100.4 1.37 Allowed 'Trans proline' 0 CA--C 1.543 0.925 0 N-CA-C 116.823 1.816 . . . . 25.0 116.823 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -76.81 45.92 2.27 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 115.505 0.962 . . . . 25.0 115.505 177.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 41.0 t -78.06 93.54 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 CA-C-O 121.9 0.857 . . . . 25.0 110.029 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.67 5.99 40.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 115.474 1.657 . . . . 25.0 115.474 -176.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -138.61 138.35 9.39 Favored Glycine 0 C--O 1.224 -0.521 0 C-N-CA 120.934 -0.651 . . . . 25.0 111.823 -178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -112.35 -58.7 2.1 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.662 0.986 . . . . 25.0 113.662 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 44.5 m -132.78 145.01 50.64 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -176.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -165.45 165.85 18.85 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 103.819 -2.66 . . . . 25.0 103.819 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -105.57 -76.89 0.6 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.581 0.628 . . . . 25.0 109.327 174.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -70.56 -26.87 63.74 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.354 0.597 . . . . 25.0 111.086 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.01 -33.76 75.74 Favored Glycine 0 C--O 1.221 -0.71 0 CA-C-N 115.435 -0.802 . . . . 25.0 111.886 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -63.57 -44.84 92.92 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 117.41 0.605 . . . . 25.0 110.222 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -69.91 -35.4 74.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.733 -0.469 . . . . 25.0 109.733 -177.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.82 97.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.928 -0.578 . . . . 25.0 110.062 177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.55 -36.27 82.26 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 120.75 -0.38 . . . . 25.0 110.645 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -60.44 -36.4 78.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 118.834 0.743 . . . . 25.0 110.28 177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.09 -44.76 65.14 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 109.198 -1.561 . . . . 25.0 109.198 176.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.43 -39.91 64.75 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 122.843 0.457 . . . . 25.0 112.027 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -65.27 -44.2 88.81 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.084 0.469 . . . . 25.0 111.433 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.27 -44.5 75.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.157 0.503 . . . . 25.0 110.9 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.0 m -69.79 -26.71 31.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.838 0 CA-C-N 116.551 -0.295 . . . . 25.0 110.925 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.11 -34.27 65.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.034 0.379 . . . . 25.0 111.342 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.59 -38.23 90.3 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 110.03 -0.359 . . . . 25.0 110.03 177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.22 67.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.581 0.229 . . . . 25.0 110.516 177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.423 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.6 mm-40 -67.55 -46.7 71.99 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.018 -0.426 . . . . 25.0 111.987 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -63.89 -27.91 69.48 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 120.035 -0.666 . . . . 25.0 109.468 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.57 -52.09 19.95 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.887 -0.597 . . . . 25.0 110.887 176.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.8 p -63.24 -35.9 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 118.642 0.656 . . . . 25.0 109.798 -176.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.57 -35.22 79.79 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 115.937 -0.574 . . . . 25.0 110.34 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.92 -44.9 94.05 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.569 -0.453 . . . . 25.0 110.203 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.11 -34.52 59.64 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 -179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.73 -26.91 64.41 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.311 0.576 . . . . 25.0 109.843 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.0 mt -80.7 -42.25 22.28 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.281 0.562 . . . . 25.0 109.922 176.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.1 mtm -61.82 -27.56 68.86 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-N 116.228 -0.442 . . . . 25.0 111.565 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.8 p -77.93 -34.07 51.4 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 119.458 -0.897 . . . . 25.0 110.628 -176.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -82.25 -27.7 32.29 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.366 -0.534 . . . . 25.0 111.317 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -78.8 -37.55 40.53 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.65 -0.656 . . . . 25.0 110.554 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -76.57 8.88 24.9 Favored Glycine 0 C--O 1.223 -0.563 0 N-CA-C 115.244 0.858 . . . . 25.0 115.244 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . 0.413 ' HG3' ' H ' ' A' ' 489' ' ' GLY . 38.2 ptt180 -72.46 -13.73 61.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 117.352 0.576 . . . . 25.0 110.446 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 56.63 11.72 0.94 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 116.06 1.874 . . . . 25.0 116.06 176.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . 0.413 ' H ' ' HG3' ' A' ' 487' ' ' ARG . . . -79.0 78.85 1.66 Allowed Glycine 0 C--O 1.228 -0.24 0 C-N-CA 121.076 -0.583 . . . . 25.0 111.645 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 41.6 t . . . . . 0 C--O 1.209 -1.029 0 CA-C-O 124.836 2.255 . . . . 25.0 111.336 179.008 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.857 0 CA-C-O 124.929 2.405 . . . . 25.0 110.939 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 34.5 t -76.2 104.2 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 112.972 -1.614 . . . . 25.0 109.647 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -98.98 27.78 4.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.413 0.625 . . . . 25.0 109.651 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 22.8 m -76.85 136.27 38.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.483 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -160.15 169.16 23.87 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 104.425 -2.435 . . . . 25.0 104.425 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 52.8 p -118.01 145.74 44.54 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.433 -0.951 . . . . 25.0 108.433 178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -75.42 -20.09 59.11 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.937 -1.028 . . . . 25.0 112.082 -174.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.17 -47.63 79.03 Favored Glycine 0 C--O 1.219 -0.79 0 N-CA-C 110.718 -0.953 . . . . 25.0 110.718 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -59.68 -39.1 83.38 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 109.49 -0.559 . . . . 25.0 109.49 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.75 -34.21 63.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.518 -0.31 . . . . 25.0 110.896 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.4 m -68.0 -41.65 81.95 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.003 -0.436 . . . . 25.0 110.388 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -73.69 -31.19 63.3 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.024 0.44 . . . . 25.0 110.031 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 51.4 ttp -64.86 -42.47 94.85 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 177.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.73 76.69 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.127 0.489 . . . . 25.0 110.584 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.37 75.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.555 -0.293 . . . . 25.0 111.201 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.6 p -71.55 -33.25 48.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.911 -0.316 . . . . 25.0 110.6 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -57.64 -47.37 82.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 175.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.73 -39.59 94.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.887 0.375 . . . . 25.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.45 92.34 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 25.0 111.737 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.475 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 20.3 pt-20 -72.68 -31.26 64.91 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.304 -0.959 . . . . 25.0 110.479 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.36 -47.95 79.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.4 -0.52 . . . . 25.0 110.048 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -71.29 -33.75 70.0 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 119.905 -0.718 . . . . 25.0 112.873 -177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . 0.475 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 21.8 ptp -68.1 -33.14 73.96 Favored 'General case' 0 CA--C 1.511 -0.522 0 C-N-CA 119.497 -0.881 . . . . 25.0 109.863 178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 79.9 m -65.7 -37.7 87.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.195 0.522 . . . . 25.0 109.668 -179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -65.15 -37.86 88.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.326 -0.859 . . . . 25.0 109.388 178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -66.74 -39.68 88.03 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.622 0.971 . . . . 25.0 113.622 -178.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.2 m -77.02 -24.53 15.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.52 0 N-CA-C 114.127 1.158 . . . . 25.0 114.127 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.5 mt -68.38 -37.27 80.25 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 38.0 m170 -81.32 -47.6 13.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.58 0.705 . . . . 25.0 109.596 176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . 48.98 -157.27 0.07 Allowed 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 115.705 1.743 . . . . 25.0 115.705 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 144.38 171.37 14.29 Favored Glycine 0 C--O 1.225 -0.427 0 N-CA-C 105.389 -3.084 . . . . 25.0 105.389 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -122.5 65.2 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.442 1.121 . . . . 25.0 111.804 -178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -74.51 -46.67 37.76 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 108.229 -1.026 . . . . 25.0 108.229 178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.451 ' HA ' ' HB3' ' A' ' 447' ' ' ALA . 30.5 mt-30 56.17 25.93 9.68 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 114.495 1.294 . . . . 25.0 114.495 178.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.69 -32.03 72.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.999 0.904 . . . . 25.0 108.928 177.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -126.81 18.84 7.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.653 -1.158 . . . . 25.0 113.047 -177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.451 ' HB3' ' HA ' ' A' ' 444' ' ' GLN . . . -115.44 42.03 2.35 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.159 0.504 . . . . 25.0 111.409 -175.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -75.62 149.11 83.36 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.903 -0.59 . . . . 25.0 110.016 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.81 166.09 23.84 Favored 'Trans proline' 0 C--N 1.345 0.35 0 CA-C-O 121.254 0.439 . . . . 25.0 112.434 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -118.64 -171.41 15.11 Favored Glycine 0 N--CA 1.441 -0.976 0 N-CA-C 109.4 -1.48 . . . . 25.0 109.4 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 48.1 t -76.59 132.26 33.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-N 114.146 -1.027 . . . . 25.0 109.277 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 57.3 p -82.23 164.16 21.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.007 0.432 . . . . 25.0 110.093 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -166.42 178.58 40.85 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 108.967 -1.653 . . . . 25.0 108.967 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -65.74 -22.69 66.62 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 117.212 0.506 . . . . 25.0 111.21 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.1 t -147.76 153.07 38.77 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.562 -2.014 . . . . 25.0 105.562 177.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -157.55 149.44 22.23 Favored 'General case' 0 CA--C 1.502 -0.889 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -105.77 -76.77 0.6 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.238 0.542 . . . . 25.0 110.581 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -64.69 -27.93 69.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.712 0.768 . . . . 25.0 110.335 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -58.75 -28.96 63.73 Favored Glycine 0 C--O 1.221 -0.689 0 CA-C-N 115.119 -0.946 . . . . 25.0 112.562 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -68.04 -34.81 77.16 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-N 117.847 0.823 . . . . 25.0 110.706 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -68.99 -37.75 78.9 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.107 -1.071 . . . . 25.0 108.107 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.66 93.33 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.112 -0.495 . . . . 25.0 110.432 178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -37.64 87.64 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 121.916 -0.49 . . . . 25.0 109.798 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -65.77 -32.96 74.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 121.804 -0.56 . . . . 25.0 110.595 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -64.7 -48.8 68.54 Favored Glycine 0 C--O 1.221 -0.678 0 N-CA-C 107.48 -2.248 . . . . 25.0 107.48 175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.78 68.56 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 122.426 0.291 . . . . 25.0 111.698 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -64.29 -46.39 83.83 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 121.176 0.512 . . . . 25.0 110.602 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.83 -45.85 73.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.444 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -68.79 -26.42 32.79 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.83 0 C-N-CA 120.719 -0.392 . . . . 25.0 110.311 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.44 -31.46 65.93 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.253 0.479 . . . . 25.0 111.254 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.14 87.65 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 109.547 -0.538 . . . . 25.0 109.547 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -37.51 67.82 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.151 -0.314 . . . . 25.0 110.151 176.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.443 ' HA ' HG12 ' A' ' 476' ' ' VAL . 67.0 mm-40 -65.67 -47.04 76.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.601 0.593 . . . . 25.0 112.601 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -63.07 -27.9 69.71 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 109.467 -0.568 . . . . 25.0 109.467 178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.57 -51.51 16.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.765 -0.652 . . . . 25.0 111.139 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.7 p -63.48 -36.57 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.777 0.717 . . . . 25.0 109.527 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -62.93 -35.9 81.62 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.274 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.58 95.29 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.597 -0.441 . . . . 25.0 110.242 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -71.54 -34.31 52.4 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 O-C-N 122.027 -0.42 . . . . 25.0 109.932 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.67 -26.96 65.98 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.545 0.688 . . . . 25.0 109.425 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.9 mt -80.18 -42.31 23.61 Favored 'General case' 0 C--O 1.207 -1.147 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.6 mtm -61.39 -27.88 68.84 Favored 'General case' 0 CA--C 1.503 -0.857 0 C-N-CA 120.583 -0.447 . . . . 25.0 112.114 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.7 p -80.72 -35.27 33.71 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.977 -0.689 . . . . 25.0 110.263 -176.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -80.59 -24.65 39.01 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.31 -0.556 . . . . 25.0 110.374 177.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.71 -21.89 51.27 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.972 -0.455 . . . . 25.0 110.161 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 63.79 25.55 69.21 Favored Glycine 0 C--O 1.227 -0.291 0 N-CA-C 108.916 -1.674 . . . . 25.0 108.916 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 51.0 22.12 1.14 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.05 1.34 . . . . 25.0 113.834 -172.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -80.15 161.34 25.32 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.851 -0.796 . . . . 25.0 108.851 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -84.25 42.35 3.08 Favored Glycine 0 C--O 1.226 -0.392 0 C-N-CA 121.3 -0.476 . . . . 25.0 112.318 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.208 -1.084 0 CA-C-O 123.896 1.808 . . . . 25.0 112.721 -178.37 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 CA-C-O 123.276 1.487 . . . . 25.0 112.78 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 21.0 p -83.48 157.64 22.34 Favored 'General case' 0 C--O 1.222 -0.381 0 O-C-N 120.942 -1.328 . . . . 25.0 109.27 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -117.42 32.33 6.22 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 106.616 -1.624 . . . . 25.0 106.616 177.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 41.6 m -152.15 154.12 35.21 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 100.771 -3.788 . . . . 25.0 100.771 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -138.12 156.91 47.29 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 112.409 0.522 . . . . 25.0 112.409 -175.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 2.7 m -90.67 32.92 0.94 Allowed 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 123.758 0.823 . . . . 25.0 111.163 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 64.18 -42.68 0.27 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 117.419 2.377 . . . . 25.0 117.419 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.6 -26.68 71.08 Favored Glycine 0 C--O 1.221 -0.691 0 N-CA-C 111.094 -0.802 . . . . 25.0 111.094 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.83 -32.1 73.5 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-O 121.038 0.447 . . . . 25.0 110.299 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 28.0 t -74.16 -29.87 25.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 30.5 m -67.95 -36.68 80.52 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 121.948 -0.47 . . . . 25.0 109.811 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -74.56 -30.55 61.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.605 0.716 . . . . 25.0 109.58 178.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.34 -28.99 69.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.191 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.86 74.71 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.988 0.423 . . . . 25.0 110.197 177.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.52 -36.4 65.72 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 80.5 t -63.09 -44.66 99.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 178.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -56.53 -48.06 78.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.072 0.463 . . . . 25.0 110.819 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.09 97.61 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.465 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.6 -48.1 73.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.965 -0.561 . . . . 25.0 111.997 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -68.9 -33.06 73.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.588 -0.695 . . . . 25.0 110.23 -177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 35.6 mt -64.24 -46.23 84.68 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.747 -0.381 . . . . 25.0 110.092 178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -73.69 -32.31 63.87 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 119.679 -0.809 . . . . 25.0 111.845 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 51.7 mtm -63.65 -41.74 98.18 Favored 'General case' 0 C--O 1.212 -0.882 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.4 m -57.89 -40.18 79.67 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.269 0.557 . . . . 25.0 110.905 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 64.6 mtt85 -64.53 -45.11 88.59 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.41 0.624 . . . . 25.0 109.953 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -64.79 -40.65 95.59 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.406 -0.815 . . . . 25.0 110.598 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 1.6 t -60.2 -37.19 72.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 123.983 0.913 . . . . 25.0 111.519 179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.63 -22.8 66.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.022 -0.424 . . . . 25.0 111.895 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -93.44 -17.33 23.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.774 0.321 . . . . 25.0 110.933 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -81.95 68.77 8.46 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.246 0.546 . . . . 25.0 110.958 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -75.28 58.64 2.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 116.321 1.288 . . . . 25.0 116.321 -178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -81.28 99.2 8.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.387 0.594 . . . . 25.0 109.594 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -67.58 -33.2 74.53 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 113.173 0.805 . . . . 25.0 113.173 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 60.22 43.58 13.72 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 124.088 0.867 . . . . 25.0 110.735 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -67.97 -27.47 66.62 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 121.838 0.828 . . . . 25.0 109.947 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.73 24.75 0.09 Allowed 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -177.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -92.73 43.74 1.13 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.157 0.504 . . . . 25.0 112.045 -173.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -68.51 135.42 90.68 Favored Pre-proline 0 CA--C 1.547 0.853 0 CA-C-O 120.993 0.425 . . . . 25.0 111.654 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -77.9 122.77 5.97 Favored 'Trans proline' 0 CA--C 1.537 0.653 0 N-CA-C 115.592 1.343 . . . . 25.0 115.592 -177.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -100.73 52.94 0.91 Allowed Glycine 0 CA--C 1.521 0.451 0 CA-C-N 115.25 -0.886 . . . . 25.0 114.842 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 11.5 p -63.37 130.34 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 CA-C-N 117.733 0.767 . . . . 25.0 110.162 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 1.9 m -76.04 -15.19 60.17 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 116.05 1.87 . . . . 25.0 116.05 -175.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 83.08 -158.87 36.88 Favored Glycine 0 C--O 1.227 -0.321 0 N-CA-C 110.456 -1.058 . . . . 25.0 110.456 -177.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -152.21 -40.72 0.11 Allowed 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.944 1.09 . . . . 25.0 113.944 -179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 61.8 m -148.39 163.65 36.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.76 -0.587 . . . . 25.0 110.218 -178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -151.46 153.6 34.95 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 108.962 -0.755 . . . . 25.0 108.962 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -105.73 -76.79 0.6 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -63.38 -25.67 68.4 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.46 -33.84 83.01 Favored Glycine 0 C--O 1.22 -0.745 0 N-CA-C 111.036 -0.826 . . . . 25.0 111.036 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . 0.476 ' HA ' HD23 ' A' ' 463' ' ' LEU . 86.5 mt-30 -66.66 -37.05 84.0 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 121.996 -0.708 . . . . 25.0 110.091 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 80.9 mmt-85 -65.9 -36.89 84.64 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -69.28 -39.67 78.21 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.645 -0.707 . . . . 25.0 111.441 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.3 OUTLIER -64.63 -34.03 77.33 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.985 -0.447 . . . . 25.0 110.515 -179.71 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 28.5 mm100 -59.22 -36.29 75.15 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 120.164 -0.614 . . . . 25.0 110.017 176.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.03 -43.07 58.09 Favored Glycine 0 C--O 1.221 -0.683 0 N-CA-C 109.35 -1.5 . . . . 25.0 109.35 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.37 -40.07 64.69 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 122.85 0.46 . . . . 25.0 111.897 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -64.75 -43.02 94.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.069 0.462 . . . . 25.0 111.97 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -70.41 -44.32 68.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.213 0.53 . . . . 25.0 111.009 -178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.9 m -68.26 -27.28 36.39 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.727 0 CA-C-N 116.434 -0.348 . . . . 25.0 110.695 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -54.55 -32.87 59.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 117.739 0.245 . . . . 25.0 111.492 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.61 91.59 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 110.012 -0.366 . . . . 25.0 110.012 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.95 66.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.73 0.3 . . . . 25.0 110.788 177.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.418 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.3 mm-40 -69.73 -45.65 67.7 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.085 0.469 . . . . 25.0 111.45 -179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -64.84 -26.43 68.33 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.96 -0.696 . . . . 25.0 109.392 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -50.63 24.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.582 177.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.418 HG12 ' HA ' ' A' ' 473' ' ' GLN . 9.7 p -63.48 -37.04 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 -177.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -63.37 -36.06 82.45 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.754 -0.657 . . . . 25.0 109.994 177.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.96 -45.84 89.51 Favored 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 120.612 -0.435 . . . . 25.0 110.282 -179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.59 -35.22 65.16 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 N-CA-C 109.674 -0.491 . . . . 25.0 109.674 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.03 -27.71 65.73 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.4 mt -81.23 -43.22 19.55 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-O 121.021 0.439 . . . . 25.0 110.568 176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.6 mtm -59.05 -26.43 64.59 Favored 'General case' 0 CA--C 1.499 -0.985 0 N-CA-C 111.931 0.345 . . . . 25.0 111.931 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.9 p -77.95 -37.27 47.9 Favored 'General case' 0 C--N 1.315 -0.894 0 C-N-CA 119.062 -1.055 . . . . 25.0 110.038 -176.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -83.71 -24.34 31.26 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.018 0.377 . . . . 25.0 112.018 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -83.75 -34.56 24.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 118.213 0.46 . . . . 25.0 111.659 176.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -74.12 -26.16 69.32 Favored Glycine 0 C--O 1.226 -0.363 0 C-N-CA 121.192 -0.527 . . . . 25.0 113.573 -176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 42.83 43.46 3.45 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 114.219 1.192 . . . . 25.0 114.219 177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -134.61 168.07 19.66 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.819 -0.808 . . . . 25.0 108.819 -177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 146.6 -37.52 1.2 Allowed Glycine 0 C--O 1.225 -0.463 0 N-CA-C 110.553 -1.019 . . . . 25.0 110.553 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.208 -1.122 0 N-CA-C 114.867 1.432 . . . . 25.0 114.867 178.028 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.406 0 CA-C-O 122.414 1.008 . . . . 25.0 112.42 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 21.2 t -76.9 60.34 1.76 Allowed 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.423 -1.045 . . . . 25.0 110.894 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.8 ptm180 -97.9 14.35 27.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.778 -0.646 . . . . 25.0 110.909 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 18.4 t -157.56 166.44 32.91 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 105.287 -2.116 . . . . 25.0 105.287 -179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -156.91 165.06 37.25 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 103.992 -2.596 . . . . 25.0 103.992 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 45.8 t -97.52 143.05 28.62 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.694 1.235 . . . . 25.0 109.541 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.7 -23.8 65.32 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 113.885 -1.507 . . . . 25.0 110.01 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.16 -32.85 69.03 Favored Glycine 0 C--O 1.222 -0.617 0 C-N-CA 120.61 -0.805 . . . . 25.0 111.106 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.42 -41.01 76.92 Favored 'General case' 0 C--O 1.219 -0.507 0 N-CA-C 107.972 -1.121 . . . . 25.0 107.972 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 96.2 t -66.96 -32.91 60.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.819 -0.628 . . . . 25.0 110.405 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 69.7 m -63.29 -41.65 99.0 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 122.028 -0.42 . . . . 25.0 111.216 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -75.76 -35.26 60.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.611 0.719 . . . . 25.0 109.635 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.3 ttp -62.92 -36.18 82.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.976 -0.557 . . . . 25.0 110.4 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.36 -31.17 72.26 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.899 0.38 . . . . 25.0 110.661 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.94 -37.35 75.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.5 t -67.25 -44.75 87.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -58.36 -44.33 88.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.136 0.493 . . . . 25.0 109.949 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.57 -46.91 87.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.501 -0.318 . . . . 25.0 110.409 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.15 84.35 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.99 -45.68 92.56 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.469 0.652 . . . . 25.0 109.685 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.94 -38.44 91.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.481 0.658 . . . . 25.0 110.372 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -33.36 68.0 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 116.024 -0.535 . . . . 25.0 110.869 -178.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.4 mtm -71.6 -39.18 70.67 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.143 -0.973 . . . . 25.0 109.536 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 62.1 m -59.34 -43.09 92.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.665 0.269 . . . . 25.0 111.706 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -66.12 -31.29 72.06 Favored 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 119.621 -0.832 . . . . 25.0 110.159 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -72.37 -44.57 62.36 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 113.946 1.091 . . . . 25.0 113.946 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.4 m -66.97 -30.76 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 112.937 0.718 . . . . 25.0 112.937 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.71 -9.74 52.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.943 -0.571 . . . . 25.0 112.385 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 39.4 m170 -111.5 17.9 19.63 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.324 0.25 . . . . 25.0 110.966 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -126.86 158.42 36.74 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 120.859 0.361 . . . . 25.0 111.11 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 150.35 165.45 12.65 Favored Glycine 0 C--O 1.226 -0.359 0 C-N-CA 121.418 -0.42 . . . . 25.0 113.189 177.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -162.42 175.71 11.25 Favored 'General case' 0 C--O 1.238 0.479 0 N-CA-C 100.836 -3.765 . . . . 25.0 100.836 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -124.36 160.43 28.13 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.774 -0.824 . . . . 25.0 108.774 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -152.82 15.74 0.57 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.777 1.275 . . . . 25.0 107.741 176.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -74.83 -29.06 60.94 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 113.55 -1.659 . . . . 25.0 110.34 -172.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -121.4 15.19 11.26 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 107.156 -1.424 . . . . 25.0 107.156 176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 48.68 51.4 15.7 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 113.849 -1.523 . . . . 25.0 112.843 -176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -53.74 143.89 37.53 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-O 121.469 0.652 . . . . 25.0 111.945 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -79.88 166.39 21.3 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 118.124 -0.784 . . . . 25.0 110.916 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -155.77 176.8 33.18 Favored Glycine 0 N--CA 1.434 -1.444 0 N-CA-C 106.709 -2.556 . . . . 25.0 106.709 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 58.9 t -126.11 134.96 65.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 15.1 m -64.35 144.12 57.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.789 0.328 . . . . 25.0 110.88 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -70.67 161.51 53.76 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.837 -0.697 . . . . 25.0 112.092 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -61.48 138.75 58.29 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.2 m -70.28 139.41 52.12 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.33 0.586 . . . . 25.0 112.291 -178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -67.59 156.92 35.64 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 108.083 -1.08 . . . . 25.0 108.083 176.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -104.98 -70.12 0.79 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.307 0.575 . . . . 25.0 111.758 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -61.9 -29.27 70.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 -178.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -62.74 -33.89 88.13 Favored Glycine 0 C--O 1.223 -0.58 0 N-CA-C 111.218 -0.753 . . . . 25.0 111.218 177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -68.8 -39.55 80.03 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 122.195 -0.591 . . . . 25.0 109.545 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -64.58 -38.85 92.44 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.112 -0.699 . . . . 25.0 109.112 -178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -66.15 -46.1 78.65 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.938 -0.574 . . . . 25.0 110.812 178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -36.9 85.47 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 120.713 -0.395 . . . . 25.0 111.075 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -62.0 -34.46 76.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.607 -0.683 . . . . 25.0 110.343 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.8 -48.18 62.8 Favored Glycine 0 C--O 1.218 -0.86 0 N-CA-C 108.106 -1.998 . . . . 25.0 108.106 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.72 65.07 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -67.12 -45.62 76.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.23 0.538 . . . . 25.0 111.092 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.28 84.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.011 0.434 . . . . 25.0 110.92 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.44 -31.33 50.84 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 C-N-CA 120.811 -0.355 . . . . 25.0 110.337 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.48 -34.22 66.7 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 118.188 0.449 . . . . 25.0 111.547 -179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.03 89.61 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 120.938 0.399 . . . . 25.0 109.972 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.78 -34.01 66.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 122.325 -0.235 . . . . 25.0 110.596 176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.44 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.1 mm-40 -68.66 -45.97 70.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 121.955 -0.466 . . . . 25.0 111.57 -178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.4 -27.3 69.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -52.32 13.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.774 -0.648 . . . . 25.0 110.783 177.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.2 p -63.37 -36.7 77.2 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 118.694 0.679 . . . . 25.0 109.551 -175.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -63.36 -35.88 81.87 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.858 -0.61 . . . . 25.0 109.987 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.17 -46.67 87.78 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.467 -0.493 . . . . 25.0 110.047 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -69.37 -35.81 69.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.55 -0.46 . . . . 25.0 109.769 -178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.66 -27.14 64.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.781 -0.451 . . . . 25.0 109.781 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.38 -43.08 19.52 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-O 120.905 0.383 . . . . 25.0 111.164 176.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.6 mtm -59.22 -24.04 62.81 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-N 115.972 -0.558 . . . . 25.0 112.06 -178.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.2 p -78.74 -31.22 46.21 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 119.464 -0.894 . . . . 25.0 109.685 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -79.52 -39.86 30.98 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 121.818 0.818 . . . . 25.0 109.059 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -69.02 -12.26 61.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.798 -1.092 . . . . 25.0 109.254 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -69.93 -26.44 74.34 Favored Glycine 0 C--O 1.228 -0.246 0 N-CA-C 111.158 -0.777 . . . . 25.0 111.158 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 43.52 41.1 3.16 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.0 1.111 . . . . 25.0 114.0 176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -140.4 174.05 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -176.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 148.33 -38.77 1.01 Allowed Glycine 0 C--O 1.222 -0.6 0 N-CA-C 110.148 -1.181 . . . . 25.0 110.148 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.108 0 CA-C-O 123.85 1.786 . . . . 25.0 113.584 178.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.227 0 CA-C-O 122.842 1.246 . . . . 25.0 112.78 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 42.4 t -153.61 157.22 39.34 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 107.564 -1.273 . . . . 25.0 107.564 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -128.44 111.33 13.19 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 49.3 m -85.61 146.51 26.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 106.087 -1.82 . . . . 25.0 106.087 175.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -138.12 141.35 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.5 m -89.39 33.74 0.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 63.49 -42.98 0.23 Allowed 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 117.198 2.296 . . . . 25.0 117.198 178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.64 -26.41 70.94 Favored Glycine 0 C--O 1.218 -0.846 0 N-CA-C 110.382 -1.087 . . . . 25.0 110.382 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -64.65 -30.14 71.16 Favored 'General case' 0 C--O 1.216 -0.708 0 CA-C-N 115.485 -0.358 . . . . 25.0 110.658 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.5 t -74.25 -35.11 39.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.3 m -68.87 -36.53 78.21 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.92 0.391 . . . . 25.0 110.189 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.96 -34.59 75.59 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 109.338 -0.616 . . . . 25.0 109.338 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 35.0 ttm -60.55 -39.33 87.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.122 0.487 . . . . 25.0 110.366 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.77 -30.07 69.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.0 -0.545 . . . . 25.0 110.562 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.75 -36.81 73.3 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.65 -45.14 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 108.715 -0.846 . . . . 25.0 108.715 177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -58.84 -44.01 90.86 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.18 -38.99 91.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.338 -0.226 . . . . 25.0 111.046 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.95 87.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.743 0.306 . . . . 25.0 110.766 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -64.06 -41.63 97.29 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.556 0.693 . . . . 25.0 109.645 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.47 -47.28 82.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.576 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -69.39 -32.22 71.1 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.642 -0.823 . . . . 25.0 111.328 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 64.7 mtm -64.79 -42.2 95.24 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 46.0 m -62.76 -39.72 95.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.943 0.402 . . . . 25.0 110.343 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -65.37 -41.03 94.23 Favored 'General case' 0 CA--C 1.511 -0.555 0 O-C-N 121.266 -0.896 . . . . 25.0 110.24 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -61.49 -47.74 84.26 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.531 -0.759 . . . . 25.0 112.23 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.81 -37.58 79.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.662 -0.415 . . . . 25.0 112.001 -178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.5 -44.4 87.13 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 122.249 -0.282 . . . . 25.0 111.438 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -69.37 -29.18 66.9 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 111.975 0.361 . . . . 25.0 111.975 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -73.98 -27.93 61.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.802 0.334 . . . . 25.0 110.219 178.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -85.24 -37.08 10.15 Favored Glycine 0 N--CA 1.454 -0.152 0 C-N-CA 121.008 -0.615 . . . . 25.0 114.45 -178.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -161.91 174.5 13.02 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-O 122.167 0.984 . . . . 25.0 108.466 -177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -112.89 153.03 28.58 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.18 -1.373 . . . . 25.0 107.866 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -120.22 25.42 9.87 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.233 -1.395 . . . . 25.0 107.233 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -62.79 -28.5 70.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 113.978 -1.464 . . . . 25.0 110.127 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -147.41 53.98 1.07 Allowed 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 108.149 -1.056 . . . . 25.0 108.149 -177.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -116.45 46.45 1.6 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.577 -0.738 . . . . 25.0 109.734 -177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -65.57 146.32 98.98 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 119.747 -0.781 . . . . 25.0 110.599 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -81.17 175.03 10.17 Favored 'Trans proline' 0 C--N 1.345 0.382 0 CA-C-O 120.978 0.324 . . . . 25.0 112.133 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -74.55 81.95 0.83 Allowed Glycine 0 CA--C 1.519 0.337 0 N-CA-C 110.025 -1.23 . . . . 25.0 110.025 175.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 12.5 p -57.63 142.39 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 122.03 0.919 . . . . 25.0 111.489 -177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 66.2 m -131.62 163.0 29.05 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 107.066 -1.457 . . . . 25.0 107.066 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -157.06 -160.12 9.91 Favored Glycine 0 C--O 1.229 -0.2 0 C-N-CA 120.861 -0.685 . . . . 25.0 111.457 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -59.63 125.8 25.06 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.83 -0.433 . . . . 25.0 109.83 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.56 -28.01 66.75 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -177.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -154.23 112.32 3.54 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.459 -0.571 . . . . 25.0 109.459 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -101.11 -67.92 0.84 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.454 -0.943 . . . . 25.0 108.454 173.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -62.47 -28.82 70.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.683 0.754 . . . . 25.0 110.446 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.9 -28.88 66.65 Favored Glycine 0 C--O 1.219 -0.786 0 CA-C-N 115.133 -0.94 . . . . 25.0 112.883 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . 0.432 ' HA ' HD23 ' A' ' 463' ' ' LEU . 82.4 mt-30 -63.6 -38.72 92.19 Favored 'General case' 0 C--O 1.218 -0.577 0 CA-C-N 117.761 0.781 . . . . 25.0 110.653 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -72.66 -36.08 67.86 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.686 -0.857 . . . . 25.0 108.686 -178.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.7 -40.63 95.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.575 -0.739 . . . . 25.0 111.076 177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.4 OUTLIER -64.31 -36.45 84.15 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 122.041 -0.412 . . . . 25.0 110.531 179.625 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -64.16 -35.27 80.22 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.195 -0.602 . . . . 25.0 110.177 177.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.36 -43.72 77.48 Favored Glycine 0 C--O 1.216 -1.026 0 N-CA-C 108.783 -1.727 . . . . 25.0 108.783 176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.77 -35.83 66.68 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 122.671 0.388 . . . . 25.0 111.561 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -72.42 -41.26 66.42 Favored 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.5 -44.96 89.29 Favored 'General case' 0 N--CA 1.419 -2.002 0 CA-C-N 115.522 -0.763 . . . . 25.0 111.188 178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -69.33 -27.91 36.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.569 0 N-CA-C 110.234 -0.284 . . . . 25.0 110.234 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.09 -31.41 67.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 118.233 0.469 . . . . 25.0 111.507 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.02 89.54 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.97 66.97 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-O 120.643 0.259 . . . . 25.0 110.351 176.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.453 ' HA ' HG12 ' A' ' 476' ' ' VAL . 68.6 mm-40 -67.15 -46.13 74.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 -178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.37 -27.55 69.15 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 178.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.27 -52.32 10.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.596 -0.729 . . . . 25.0 111.219 178.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.3 p -63.44 -36.46 76.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 118.55 0.614 . . . . 25.0 110.263 -175.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 -63.57 -33.73 76.24 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 116.16 -0.473 . . . . 25.0 110.34 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.9 96.17 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.465 -0.494 . . . . 25.0 109.997 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.06 -32.77 49.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 -179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.72 -27.64 65.09 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 109.361 -0.607 . . . . 25.0 109.361 178.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -81.34 -43.78 18.56 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.103 0.478 . . . . 25.0 110.088 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.1 mtm -61.03 -26.87 67.92 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 120.886 0.374 . . . . 25.0 111.753 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.1 p -80.23 -33.69 37.83 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 119.684 -0.806 . . . . 25.0 110.567 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -81.7 -27.14 34.1 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 120.147 -0.621 . . . . 25.0 111.007 175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -79.35 -33.74 42.74 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 121.811 -0.556 . . . . 25.0 110.936 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -67.7 -20.85 72.52 Favored Glycine 0 C--O 1.221 -0.674 0 C-N-CA 121.509 -0.377 . . . . 25.0 113.984 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -96.06 8.88 42.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 53.9 43.37 30.98 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 124.014 0.821 . . . . 25.0 112.09 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -79.01 55.15 4.28 Favored Glycine 0 C--O 1.229 -0.213 0 CA-C-O 121.49 0.494 . . . . 25.0 113.129 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.21 -0.99 0 CA-C-O 123.642 1.687 . . . . 25.0 113.628 -177.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 123.094 1.385 . . . . 25.0 113.056 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 19.2 m -69.87 152.67 44.25 Favored 'General case' 0 C--N 1.334 -0.082 0 O-C-N 121.363 -1.08 . . . . 25.0 110.632 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -133.46 163.52 29.19 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 106.559 -1.645 . . . . 25.0 106.559 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 58.0 p -147.78 153.54 39.35 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -162.75 168.64 21.19 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 102.269 -3.234 . . . . 25.0 102.269 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.3 m -97.47 135.31 39.52 Favored 'General case' 0 CA--C 1.508 -0.654 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.86 -27.58 69.26 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.536 -0.756 . . . . 25.0 111.851 -176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.98 -30.11 73.94 Favored Glycine 0 C--O 1.219 -0.808 0 C-N-CA 120.583 -0.818 . . . . 25.0 112.307 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -65.43 -36.76 84.9 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 45.1 t -71.55 -30.38 38.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.865 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.8 m -64.66 -41.47 96.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.716 -0.615 . . . . 25.0 109.829 177.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -74.82 -31.25 61.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.054 -0.521 . . . . 25.0 109.761 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 41.6 ttm -62.12 -44.21 97.13 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.6 -34.58 78.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.021 0.439 . . . . 25.0 110.664 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.06 -46.17 75.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.511 -0.313 . . . . 25.0 111.223 -179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.43 -35.49 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.807 0.337 . . . . 25.0 110.516 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -60.36 -42.82 96.58 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.826 -0.435 . . . . 25.0 109.826 176.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.79 -37.38 87.14 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.708 0.29 . . . . 25.0 110.729 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.28 -44.12 84.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.389 -0.369 . . . . 25.0 110.344 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.47 -42.47 99.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.944 0.878 . . . . 25.0 109.634 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 40.6 mt -59.67 -43.21 94.06 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.339 -0.846 . . . . 25.0 111.615 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -73.71 -32.07 63.72 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.611 -0.835 . . . . 25.0 111.932 177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.9 tpp -61.66 -38.53 88.07 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 176.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 50.2 m -60.66 -36.77 79.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.303 178.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 -66.39 -44.54 82.77 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.337 -0.986 . . . . 25.0 108.337 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -59.56 -45.28 92.29 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.093 -0.958 . . . . 25.0 112.443 -178.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.97 -35.89 66.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 71.7 mt -66.8 -41.15 88.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.188 -0.32 . . . . 25.0 111.366 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 -75.95 -11.76 60.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.558 0.577 . . . . 25.0 112.558 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.26 -11.24 59.88 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 112.261 0.467 . . . . 25.0 112.261 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -118.56 142.04 16.56 Favored Glycine 0 C--O 1.225 -0.417 0 C-N-CA 121.203 -0.522 . . . . 25.0 113.396 -178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -155.35 151.25 27.69 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 105.771 -1.937 . . . . 25.0 105.771 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -82.28 133.93 35.26 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . 0.461 ' HB2' ' HB3' ' A' ' 447' ' ' ALA . 35.8 mt-30 -87.67 62.37 6.99 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 20.8 t0 64.13 -61.47 0.18 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.615 1.566 . . . . 25.0 114.053 -176.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -160.54 19.26 0.14 Allowed 'General case' 0 N--CA 1.481 1.093 0 CA-C-O 122.348 1.07 . . . . 25.0 112.119 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 444' ' ' GLN . . . -96.56 46.82 1.06 Allowed 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.694 -0.629 . . . . 25.0 111.906 -175.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -75.51 142.14 73.95 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 107.828 -1.175 . . . . 25.0 107.828 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -75.9 -11.65 19.87 Favored 'Trans proline' 0 C--N 1.347 0.451 0 N-CA-C 113.396 0.499 . . . . 25.0 113.396 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 178.85 144.36 5.67 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 105.678 -2.969 . . . . 25.0 105.678 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 3.2 p -58.85 120.53 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.637 0.718 . . . . 25.0 109.901 -177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 17.3 m 55.6 21.84 4.8 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.399 -0.819 . . . . 25.0 113.14 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 67.93 17.43 69.56 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 121.558 -0.353 . . . . 25.0 113.353 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -117.35 162.93 17.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.404 0.621 . . . . 25.0 111.034 -177.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 27.9 m -61.06 121.14 11.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.736 -0.665 . . . . 25.0 109.639 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -60.33 135.24 57.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -92.93 -67.93 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 175.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -63.4 -31.32 72.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.902 0.858 . . . . 25.0 113.04 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.14 -33.81 65.42 Favored Glycine 0 C--O 1.22 -0.779 0 CA-C-N 114.301 -1.318 . . . . 25.0 112.348 178.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 62.9 mm-40 -65.08 -44.07 90.11 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 121.976 -0.72 . . . . 25.0 110.24 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -65.98 -35.02 79.44 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.096 -0.705 . . . . 25.0 109.096 -178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.5 87.14 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.936 -0.575 . . . . 25.0 109.901 177.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.47 -38.44 84.45 Favored 'General case' 0 C--O 1.217 -0.633 0 C-N-CA 120.171 -0.612 . . . . 25.0 110.318 -179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.56 -35.6 76.43 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.737 -0.602 . . . . 25.0 110.131 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.6 -47.37 62.5 Favored Glycine 0 C--O 1.221 -0.657 0 N-CA-C 109.223 -1.551 . . . . 25.0 109.223 176.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.31 -39.42 64.02 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.845 0.458 . . . . 25.0 112.125 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 67.1 mm-40 -66.18 -44.11 84.96 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.166 0.508 . . . . 25.0 111.057 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.76 -44.81 69.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.006 0.431 . . . . 25.0 111.601 -177.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 24.0 m -66.49 -26.58 37.93 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 CA-C-N 116.636 -0.256 . . . . 25.0 110.403 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.2 -31.11 61.17 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.355 -0.215 . . . . 25.0 111.489 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.19 -37.71 84.13 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.88 0.371 . . . . 25.0 110.108 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.77 -31.77 65.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.662 0.268 . . . . 25.0 110.756 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.446 ' HA ' HG12 ' A' ' 476' ' ' VAL . 47.2 mm-40 -72.02 -45.76 59.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.384 0.612 . . . . 25.0 111.772 -176.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -63.22 -27.55 69.43 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.656 -0.868 . . . . 25.0 108.656 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.17 -52.71 11.66 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.001 -0.545 . . . . 25.0 111.16 177.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.446 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.7 p -62.74 -36.21 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 CA-C-N 118.735 0.698 . . . . 25.0 109.72 -175.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -62.79 -36.61 83.69 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.884 -0.598 . . . . 25.0 110.408 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.23 91.07 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.699 -0.401 . . . . 25.0 110.479 -179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -71.54 -35.29 55.87 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.509 0 C-N-CA 120.397 -0.521 . . . . 25.0 109.84 -179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.6 66.29 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.441 0.638 . . . . 25.0 110.054 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.5 mt -77.49 -41.8 38.08 Favored 'General case' 0 CA--C 1.503 -0.835 0 CA-C-O 121.321 0.582 . . . . 25.0 109.867 177.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.0 mtm -62.91 -28.29 69.95 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 116.189 -0.46 . . . . 25.0 111.601 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.3 p -80.39 -34.76 36.08 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 119.671 -0.811 . . . . 25.0 110.114 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -81.47 -23.56 37.34 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.391 -0.524 . . . . 25.0 110.977 177.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -79.29 -27.24 42.21 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 121.669 -0.644 . . . . 25.0 110.924 176.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 73.18 -4.63 23.98 Favored Glycine 0 CA--C 1.522 0.469 0 CA-C-O 121.414 0.452 . . . . 25.0 113.69 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.74 2.18 8.83 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 -175.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -66.87 -30.86 71.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.36 -0.607 . . . . 25.0 109.36 176.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 75.21 -66.95 2.18 Favored Glycine 0 C--N 1.33 0.219 0 CA-C-O 122.374 0.986 . . . . 25.0 112.579 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 13.3 m . . . . . 0 C--O 1.214 -0.797 0 CA-C-O 123.695 1.712 . . . . 25.0 112.684 -178.642 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.88 0 CA-C-O 124.648 2.249 . . . . 25.0 111.035 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 23.0 p -66.21 -31.51 72.39 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 112.785 -1.708 . . . . 25.0 111.602 -179.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 58.1 ttt-85 -158.57 130.37 6.65 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.36 -0.978 . . . . 25.0 108.36 176.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 34.1 t -154.93 156.25 35.73 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 104.739 -2.319 . . . . 25.0 104.739 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -163.33 153.02 15.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.5 m -117.41 43.1 2.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.007 0.432 . . . . 25.0 110.235 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 63.73 -46.81 0.26 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 117.098 2.259 . . . . 25.0 117.098 178.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.61 -33.27 86.78 Favored Glycine 0 C--O 1.218 -0.867 0 N-CA-C 108.009 -2.037 . . . . 25.0 108.009 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.39 -36.58 71.45 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 114.821 -0.689 . . . . 25.0 110.302 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 47.8 t -71.8 -36.08 57.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.579 -0.526 . . . . 25.0 109.579 -178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.9 m -68.67 -40.55 80.07 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.66 0.267 . . . . 25.0 110.636 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -70.57 -34.67 72.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.5 ttp -66.54 -31.82 72.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.953 0.406 . . . . 25.0 109.939 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.24 -29.81 69.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.925 -0.484 . . . . 25.0 109.737 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.45 -34.96 70.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 97.9 t -66.03 -44.03 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.1 -44.9 92.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.689 -0.485 . . . . 25.0 109.689 178.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.85 -39.34 91.53 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 122.181 -0.324 . . . . 25.0 110.46 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.26 -44.77 87.05 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.553 -0.294 . . . . 25.0 110.219 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -60.86 -45.4 94.66 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-O 121.606 0.717 . . . . 25.0 109.512 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.5 -44.16 97.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.643 -0.708 . . . . 25.0 111.622 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -75.74 -35.28 60.25 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.338 -0.945 . . . . 25.0 112.784 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 67.6 mtm -62.48 -38.77 91.13 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 118.34 0.518 . . . . 25.0 110.17 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.0 m -53.03 -35.34 59.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.543 0.687 . . . . 25.0 110.718 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 51.7 mtm180 -66.98 -38.34 85.86 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.767 -0.583 . . . . 25.0 112.328 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -76.96 -39.03 52.05 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.939 -0.763 . . . . 25.0 108.939 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.55 -40.21 67.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 123.39 0.676 . . . . 25.0 111.599 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 47.4 mt -63.63 -20.03 65.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.566 0.95 . . . . 25.0 113.566 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -118.43 14.2 13.68 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -178.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -146.8 -44.57 0.18 Allowed 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 113.815 1.042 . . . . 25.0 113.815 -179.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -89.77 -35.1 7.95 Favored Glycine 0 C--O 1.218 -0.887 0 C-N-CA 121.213 -0.518 . . . . 25.0 113.477 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 52.44 70.16 0.6 Allowed 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.691 0.757 . . . . 25.0 112.727 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 80.0 mtt180 61.06 -148.77 0.42 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.928 1.291 . . . . 25.0 112.965 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -141.87 26.99 1.85 Allowed 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 123.042 0.537 . . . . 25.0 110.087 -176.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.05 -29.0 69.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.976 -0.556 . . . . 25.0 110.379 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -128.37 31.21 5.06 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.002 0.43 . . . . 25.0 110.541 -179.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -112.18 46.24 1.18 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.487 0.921 . . . . 25.0 113.487 -174.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -69.67 149.15 96.87 Favored Pre-proline 0 CA--C 1.542 0.653 0 CA-C-O 121.016 0.436 . . . . 25.0 111.375 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.6 167.71 23.74 Favored 'Trans proline' 0 C--N 1.347 0.484 0 CA-C-O 121.453 0.522 . . . . 25.0 112.795 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -91.6 -160.3 36.16 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 122.496 1.053 . . . . 25.0 112.553 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 8.8 p -120.91 157.79 23.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 108.181 -1.044 . . . . 25.0 108.181 -177.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 68.3 m -131.55 162.07 31.16 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 131.91 64.65 0.09 OUTLIER Glycine 0 C--O 1.221 -0.671 0 O-C-N 123.282 0.363 . . . . 25.0 113.17 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -140.24 146.15 38.27 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.437 -0.949 . . . . 25.0 108.437 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 78.4 p -73.92 -23.91 59.6 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 43.34 51.35 5.93 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 113.826 1.047 . . . . 25.0 113.826 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -51.18 -45.08 61.65 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -176.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 29.7 m95 -61.96 -38.51 88.81 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.663 -0.648 . . . . 25.0 112.665 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -69.79 -34.35 71.94 Favored Glycine 0 C--O 1.22 -0.721 0 N-CA-C 110.844 -0.902 . . . . 25.0 110.844 178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -64.58 -46.74 81.41 Favored 'General case' 0 C--O 1.217 -0.611 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -63.82 -37.5 87.61 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.483 -0.487 . . . . 25.0 110.141 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.0 -45.68 87.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.912 -0.403 . . . . 25.0 109.912 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.91 -38.57 86.49 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-O 119.116 -0.468 . . . . 25.0 110.906 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -54.97 -39.52 69.07 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.1 0.863 . . . . 25.0 110.44 176.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.87 -50.02 25.95 Favored Glycine 0 C--O 1.218 -0.883 0 N-CA-C 109.895 -1.282 . . . . 25.0 109.895 177.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.21 66.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.731 0.641 . . . . 25.0 112.731 -178.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -71.61 -43.18 66.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.05 0.452 . . . . 25.0 110.109 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.49 -44.26 87.61 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.939 0.4 . . . . 25.0 110.142 -178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.2 m -70.44 -28.68 35.9 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.297 0 C-N-CA 120.464 -0.494 . . . . 25.0 110.402 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.26 -36.16 72.82 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 119.028 0.831 . . . . 25.0 110.693 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.37 87.38 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.78 65.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.631 -0.259 . . . . 25.0 110.96 177.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.468 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.6 mm-40 -71.1 -45.81 62.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 121.88 -0.512 . . . . 25.0 111.352 -179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -63.29 -27.7 69.51 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.021 -0.733 . . . . 25.0 109.021 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.26 -52.44 13.98 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.955 -0.566 . . . . 25.0 110.946 177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.8 p -63.4 -35.32 71.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 O-C-N 121.627 -0.671 . . . . 25.0 109.46 -176.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -62.68 -36.77 83.97 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.233 -0.44 . . . . 25.0 110.553 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.32 -43.3 96.52 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.571 -0.451 . . . . 25.0 109.821 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.3 mt -72.17 -34.46 49.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.705 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.35 -26.98 65.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.364 0.602 . . . . 25.0 109.75 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.8 mt -77.05 -43.1 35.75 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.7 mtm -62.32 -28.93 70.09 Favored 'General case' 0 C--N 1.317 -0.812 0 O-C-N 122.099 -0.376 . . . . 25.0 111.298 179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.5 p -80.31 -12.34 59.61 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.296 -0.562 . . . . 25.0 112.074 -177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -108.97 -33.64 6.85 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 111.768 0.285 . . . . 25.0 111.768 175.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -78.36 -32.75 49.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.614 -0.679 . . . . 25.0 110.135 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -78.36 -0.55 78.65 Favored Glycine 0 C--O 1.225 -0.453 0 N-CA-C 111.453 -0.659 . . . . 25.0 111.453 177.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -134.03 29.78 3.71 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -62.37 130.38 45.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.072 -0.513 . . . . 25.0 111.154 -176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -163.32 39.2 0.33 Allowed Glycine 0 C--O 1.219 -0.821 0 N-CA-C 111.022 -0.831 . . . . 25.0 111.022 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 4.3 p . . . . . 0 C--O 1.209 -1.069 0 CA-C-O 123.693 1.711 . . . . 25.0 112.7 -178.498 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.331 0 CA-C-O 122.136 0.854 . . . . 25.0 111.844 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 19.8 m -66.88 129.72 40.82 Favored 'General case' 0 C--O 1.223 -0.295 0 O-C-N 120.734 -1.451 . . . . 25.0 109.392 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 -125.38 18.26 8.23 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.338 0.589 . . . . 25.0 109.575 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 42.6 t -86.08 150.36 24.5 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 103.838 -2.653 . . . . 25.0 103.838 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -131.36 144.32 51.15 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.3 m -91.99 32.81 1.1 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 123.708 0.803 . . . . 25.0 112.122 -177.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 63.18 -53.96 0.19 Allowed 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 117.244 2.313 . . . . 25.0 117.244 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.2 -29.43 75.28 Favored Glycine 0 C--O 1.216 -1.029 0 N-CA-C 109.784 -1.326 . . . . 25.0 109.784 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -62.95 -26.88 69.03 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.0 -0.6 . . . . 25.0 111.152 178.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 63.4 t -72.66 -35.17 49.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 108.624 -0.88 . . . . 25.0 108.624 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.0 m -68.03 -39.67 83.08 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -68.14 -37.54 81.18 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 57.7 ttp -65.2 -32.44 74.12 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.174 -0.466 . . . . 25.0 111.129 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.59 -32.78 74.35 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.208 0.528 . . . . 25.0 110.029 177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.81 65.56 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.41 -44.0 97.06 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.445 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 177.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -56.86 -43.71 81.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.711 0.291 . . . . 25.0 110.823 178.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.01 -41.78 99.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.76 -0.376 . . . . 25.0 110.867 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.18 85.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.487 -0.324 . . . . 25.0 110.785 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -63.36 -41.95 98.85 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.515 -0.55 . . . . 25.0 109.515 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 32.2 mt -61.22 -43.6 98.61 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.2 0.445 . . . . 25.0 112.2 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -73.9 -35.61 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 119.843 -0.743 . . . . 25.0 111.073 179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.3 mtm -64.1 -37.73 88.49 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 121.827 -0.545 . . . . 25.0 109.706 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 83.7 m -58.23 -37.27 74.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.955 0.407 . . . . 25.0 110.344 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -66.17 -46.29 77.88 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 121.308 -0.87 . . . . 25.0 109.319 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -63.24 -42.94 99.27 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 113.372 0.879 . . . . 25.0 113.372 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.5 m -67.21 -38.06 80.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.554 -0.458 . . . . 25.0 112.115 -179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 80.2 mt -68.52 -35.96 78.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.992 -0.442 . . . . 25.0 110.796 178.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -74.47 -13.41 60.69 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 122.193 -0.317 . . . . 25.0 111.488 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -114.82 21.75 14.1 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -68.27 163.25 48.75 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.931 -0.652 . . . . 25.0 113.336 -178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -150.45 169.47 21.39 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 105.448 -2.056 . . . . 25.0 105.448 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 55.99 -162.89 0.16 Allowed 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 124.622 1.169 . . . . 25.0 112.442 -178.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -142.12 41.5 1.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 103.95 -2.611 . . . . 25.0 103.95 -179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.68 -30.75 71.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.268 -1.333 . . . . 25.0 111.238 -175.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -140.74 60.44 1.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.532 -1.284 . . . . 25.0 107.532 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -98.79 43.42 1.06 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.463 -0.79 . . . . 25.0 110.731 -176.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -70.35 139.91 87.3 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 121.3 0.571 . . . . 25.0 111.639 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.34 134.76 12.92 Favored 'Trans proline' 0 CA--C 1.536 0.617 0 N-CA-C 115.916 1.468 . . . . 25.0 115.916 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -96.66 91.4 1.25 Allowed Glycine 0 CA--C 1.52 0.383 0 CA-C-N 114.928 -1.033 . . . . 25.0 112.628 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.24 -29.05 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 CA-C-O 121.405 0.621 . . . . 25.0 110.207 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 66.2 m -96.05 150.07 20.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 92.75 -0.43 70.16 Favored Glycine 0 C--O 1.227 -0.307 0 C-N-CA 120.48 -0.867 . . . . 25.0 111.818 -178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -77.04 39.94 0.24 Allowed 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 121.53 0.681 . . . . 25.0 111.717 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 44.2 t -151.72 142.86 23.23 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 104.781 -2.303 . . . . 25.0 104.781 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -66.82 114.47 5.7 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.533 0.198 . . . . 25.0 111.533 -177.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 54.6 t60 -105.3 -62.47 1.35 Allowed 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.012 0.434 . . . . 25.0 110.611 173.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -62.44 -31.12 71.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.794 0.807 . . . . 25.0 110.292 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.05 -29.67 75.1 Favored Glycine 0 C--O 1.226 -0.358 0 CA-C-N 115.438 -0.801 . . . . 25.0 112.292 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -66.59 -40.67 89.01 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 117.588 0.694 . . . . 25.0 109.332 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 78.2 mmt-85 -63.4 -40.86 98.37 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.778 -0.823 . . . . 25.0 108.778 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.69 -45.92 80.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.45 -0.796 . . . . 25.0 110.502 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.06 -40.37 90.86 Favored 'General case' 0 C--O 1.212 -0.879 0 C-N-CA 120.655 -0.418 . . . . 25.0 110.692 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -64.0 -33.35 75.54 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 121.569 -0.707 . . . . 25.0 111.091 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.24 -48.15 66.54 Favored Glycine 0 C--O 1.22 -0.771 0 N-CA-C 107.731 -2.148 . . . . 25.0 107.731 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.73 -38.39 72.3 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 116.613 0.206 . . . . 25.0 111.311 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -66.5 -45.33 79.94 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.098 0.475 . . . . 25.0 110.672 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.27 87.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.203 0.525 . . . . 25.0 110.409 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.0 m -70.33 -29.06 37.63 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.126 0 C-N-CA 120.014 -0.674 . . . . 25.0 110.737 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.84 -35.25 72.61 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.845 0.748 . . . . 25.0 110.471 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.0 89.52 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -35.26 67.43 Favored 'General case' 0 C--O 1.214 -0.794 0 O-C-N 122.248 -0.283 . . . . 25.0 110.939 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.463 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.7 mm-40 -69.08 -45.55 70.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 121.615 -0.678 . . . . 25.0 112.673 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 12.4 ptm85 -62.1 -27.82 69.19 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.8 tp -76.25 -52.98 8.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.579 -0.737 . . . . 25.0 111.595 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.463 HG12 ' HA ' ' A' ' 473' ' ' GLN . 8.4 p -63.88 -37.97 81.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 121.827 -0.546 . . . . 25.0 110.006 -175.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -64.34 -35.56 81.29 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 109.987 -0.375 . . . . 25.0 109.987 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.41 97.41 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.695 -0.628 . . . . 25.0 109.886 -178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.4 -36.56 67.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.686 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.18 -27.13 65.4 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.201 0.524 . . . . 25.0 109.839 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.0 mt -80.13 -39.95 28.42 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.0 mtm -62.59 -29.08 70.33 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 121.698 -0.626 . . . . 25.0 111.294 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.5 p -81.61 -15.72 53.79 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.389 -0.524 . . . . 25.0 112.17 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -103.21 -26.21 13.07 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 121.037 -0.265 . . . . 25.0 110.994 176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -86.61 -12.1 49.55 Favored 'General case' 0 C--N 1.333 -0.147 0 O-C-N 121.868 -0.52 . . . . 25.0 111.682 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 81.36 -45.0 3.15 Favored Glycine 0 C--O 1.225 -0.417 0 N-CA-C 112.222 -0.351 . . . . 25.0 112.222 -179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 54.11 29.13 9.85 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.891 1.071 . . . . 25.0 113.891 176.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -63.65 140.79 58.91 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.323 -0.621 . . . . 25.0 109.323 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -63.3 -30.76 78.51 Favored Glycine 0 C--O 1.226 -0.372 0 CA-C-O 121.758 0.643 . . . . 25.0 113.468 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 C--O 1.206 -1.208 0 N-CA-C 114.15 1.167 . . . . 25.0 114.15 -179.69 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.375 0 CA-C-O 123.053 1.363 . . . . 25.0 112.596 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 18.9 t -157.32 -51.95 0.07 Allowed 'General case' 0 N--CA 1.468 0.453 0 O-C-N 121.01 -1.288 . . . . 25.0 111.982 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -139.84 59.16 1.59 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 108.002 -1.11 . . . . 25.0 108.002 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 25.3 t -158.25 158.86 35.27 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 105.925 -1.88 . . . . 25.0 105.925 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 52.6 p90 -158.24 166.64 31.88 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 105.6 -2.0 . . . . 25.0 105.6 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 45.1 m -109.21 146.43 34.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.807 0.813 . . . . 25.0 109.024 178.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.02 -20.1 63.28 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.504 -0.771 . . . . 25.0 111.829 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.38 -35.81 82.91 Favored Glycine 0 C--O 1.216 -0.994 0 N-CA-C 109.981 -1.248 . . . . 25.0 109.981 176.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.25 -34.22 76.97 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 42.6 t -69.18 -28.01 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-O 121.196 0.522 . . . . 25.0 109.946 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 34.5 m -68.51 -39.7 81.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -75.15 -29.18 60.4 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.857 -0.423 . . . . 25.0 109.857 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 55.2 ttm -59.91 -40.89 90.36 Favored 'General case' 0 C--O 1.219 -0.528 0 CA-C-N 116.19 -0.459 . . . . 25.0 110.295 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.02 77.42 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.255 0.55 . . . . 25.0 111.131 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.73 -45.41 58.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.887 0.375 . . . . 25.0 111.134 -178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.4 p -69.86 -34.54 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.55 -0.296 . . . . 25.0 110.619 -178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.34 -47.32 75.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.254 0.549 . . . . 25.0 109.929 176.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.58 91.27 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 122.067 -0.395 . . . . 25.0 110.258 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.19 -45.82 72.34 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.027 -178.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.8 -33.46 68.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.665 -0.647 . . . . 25.0 110.543 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 30.0 mt -61.84 -42.4 98.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.041 -0.726 . . . . 25.0 109.041 176.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -75.01 -32.24 61.57 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 113.458 0.91 . . . . 25.0 113.458 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 40.9 mtm -63.54 -37.11 86.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 118.336 0.516 . . . . 25.0 110.384 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 57.8 m -56.18 -33.12 64.97 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.917 0.865 . . . . 25.0 110.608 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 47.7 mtt180 -70.97 -42.67 69.42 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.707 -0.621 . . . . 25.0 109.813 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -64.95 -39.97 94.3 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.4 t -59.66 -40.2 81.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.0 -1.0 . . . . 25.0 111.019 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 56.7 mt -70.68 -19.48 62.78 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -95.34 -2.42 49.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.603 0.239 . . . . 25.0 110.945 177.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -113.47 171.4 7.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.31 0.576 . . . . 25.0 110.742 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -80.51 118.4 4.66 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 109.056 -1.618 . . . . 25.0 109.056 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -142.07 158.06 44.2 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 103.286 -2.857 . . . . 25.0 103.286 -178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -71.57 -28.38 63.8 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.782 -0.644 . . . . 25.0 111.983 -178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 60.18 33.77 21.09 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.295 0.997 . . . . 25.0 111.401 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -64.95 -25.71 67.99 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.68 -0.691 . . . . 25.0 109.871 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -132.74 76.04 1.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 106.386 -1.709 . . . . 25.0 106.386 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -121.31 45.31 2.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.342 -1.299 . . . . 25.0 109.231 178.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.35 139.38 94.76 Favored Pre-proline 0 C--O 1.243 0.711 0 CA-C-O 121.35 0.595 . . . . 25.0 111.773 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.4 166.53 27.32 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 CA-C-O 121.741 0.642 . . . . 25.0 112.354 -178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 91.36 -36.26 3.69 Favored Glycine 0 C--O 1.225 -0.424 0 CA-C-N 115.74 -0.664 . . . . 25.0 112.737 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 48.3 t -60.45 -41.96 89.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 122.008 0.909 . . . . 25.0 109.097 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 65.0 p -76.57 120.3 21.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.837 -0.619 . . . . 25.0 110.764 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -152.91 -83.83 0.04 OUTLIER Glycine 0 CA--C 1.519 0.29 0 C-N-CA 121.112 -0.566 . . . . 25.0 112.783 177.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 59.27 -156.09 0.34 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.6 t -85.51 162.92 18.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.205 0.526 . . . . 25.0 112.221 -176.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -57.31 144.0 37.51 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.761 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -105.71 -58.02 1.96 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.33 0.586 . . . . 25.0 111.208 174.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -61.52 -33.13 73.28 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.927 0.714 . . . . 25.0 112.927 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -64.79 -33.87 88.4 Favored Glycine 0 C--O 1.226 -0.36 0 N-CA-C 111.056 -0.818 . . . . 25.0 111.056 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -69.67 -40.73 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -62.57 -37.53 86.55 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.439 -0.578 . . . . 25.0 109.439 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.65 -42.38 91.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 25.0 111.006 178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.0 -35.19 79.9 Favored 'General case' 0 C--O 1.215 -0.718 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.394 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -64.28 -32.59 74.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 121.629 -0.669 . . . . 25.0 110.323 177.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.33 -44.17 91.2 Favored Glycine 0 C--O 1.22 -0.778 0 N-CA-C 107.935 -2.066 . . . . 25.0 107.935 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.59 -39.42 67.82 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 122.584 0.353 . . . . 25.0 111.589 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -66.72 -43.26 84.74 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.107 0.48 . . . . 25.0 111.59 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.46 -44.2 79.2 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.256 0.551 . . . . 25.0 111.064 -178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.4 m -68.08 -27.94 39.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.485 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.89 -30.46 61.6 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.598 0.221 . . . . 25.0 111.598 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.93 92.84 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.3 66.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.772 0.32 . . . . 25.0 110.432 177.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.415 ' HA ' HG12 ' A' ' 476' ' ' VAL . 56.8 mm-40 -68.28 -45.47 72.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.957 0.408 . . . . 25.0 111.779 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -65.02 -26.81 68.43 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.089 -0.644 . . . . 25.0 109.469 178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.17 -51.05 23.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.98 -0.554 . . . . 25.0 110.514 177.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.7 p -63.4 -36.82 77.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.493 0.663 . . . . 25.0 109.327 -176.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -63.54 -35.8 81.68 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.701 -0.681 . . . . 25.0 109.98 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.67 -45.66 88.89 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.328 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -69.6 -35.47 66.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 -178.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.4 -27.24 65.82 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.4 0.619 . . . . 25.0 109.426 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.39 -42.48 20.39 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-O 120.978 0.418 . . . . 25.0 110.496 176.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.4 mtm -59.35 -26.95 65.48 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 111.872 0.323 . . . . 25.0 111.872 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.6 p -77.46 -37.6 51.12 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.083 -1.047 . . . . 25.0 110.042 -176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -83.19 -24.18 32.55 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 121.104 -0.239 . . . . 25.0 111.584 178.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -84.19 -32.34 24.63 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.693 -0.63 . . . . 25.0 111.687 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -72.69 -23.91 77.07 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.958 -0.639 . . . . 25.0 112.422 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 70.4 mtm-85 48.16 34.18 4.19 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.349 1.241 . . . . 25.0 114.349 177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -78.74 28.38 0.21 Allowed 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.79 0.663 . . . . 25.0 112.79 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -82.32 67.58 3.67 Favored Glycine 0 C--O 1.226 -0.372 0 CA-C-O 121.502 0.501 . . . . 25.0 111.964 -178.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--O 1.212 -0.917 0 CA-C-O 123.476 1.608 . . . . 25.0 111.257 179.54 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.53 0 CA-C-O 123.083 1.379 . . . . 25.0 112.947 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 82.2 p -80.16 151.38 29.78 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 120.762 -1.434 . . . . 25.0 109.462 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 43.8 tpt85 -85.15 -23.75 28.26 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.423 -0.511 . . . . 25.0 110.082 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 37.7 p -154.05 149.31 27.03 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 105.741 -1.948 . . . . 25.0 105.741 178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -86.86 157.88 19.45 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.182 0.515 . . . . 25.0 111.662 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 28.4 t -126.62 50.62 1.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 176.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 63.9 -46.92 0.27 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 117.368 2.358 . . . . 25.0 117.368 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -62.97 -37.28 94.69 Favored Glycine 0 C--O 1.218 -0.889 0 N-CA-C 109.275 -1.53 . . . . 25.0 109.275 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -63.59 -25.19 68.12 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 112.324 0.49 . . . . 25.0 112.324 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 27.7 t -71.88 -33.45 47.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.126 -1.065 . . . . 25.0 108.126 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -69.06 -36.73 78.0 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.551 -0.537 . . . . 25.0 109.551 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -68.12 -36.45 79.74 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.0 tpp -63.82 -40.1 95.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.198 0.523 . . . . 25.0 109.865 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.78 -32.19 73.76 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.793 -179.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.15 -37.52 81.13 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.71 -45.98 86.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 109.307 -0.627 . . . . 25.0 109.307 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -59.96 -43.58 94.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.963 0.411 . . . . 25.0 110.132 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.53 91.47 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 122.243 -0.286 . . . . 25.0 110.722 179.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.57 97.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.602 -0.272 . . . . 25.0 110.698 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.7 -41.66 87.65 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.59 0.71 . . . . 25.0 110.42 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.86 -44.04 97.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.126 -0.488 . . . . 25.0 110.262 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -78.61 -31.74 47.2 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 115.875 1.806 . . . . 25.0 115.875 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 20.9 ptp -62.33 -31.8 72.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 119.226 0.921 . . . . 25.0 110.206 -178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 24.5 m -64.66 -31.35 72.54 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.922 -0.581 . . . . 25.0 109.883 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 85.7 mtm-85 -69.46 -39.65 77.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.423 -0.798 . . . . 25.0 109.071 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -64.21 -44.44 91.9 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.898 -0.321 . . . . 25.0 111.51 -176.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 21.8 m -67.86 -34.23 66.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 112.526 0.565 . . . . 25.0 112.526 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.93 -21.5 60.88 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.528 0.566 . . . . 25.0 112.528 179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -93.63 -0.02 56.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.909 0.385 . . . . 25.0 110.114 176.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -127.27 -138.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -175.28 166.03 37.32 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 109.808 -1.317 . . . . 25.0 109.808 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -155.21 170.01 22.84 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 103.211 -2.885 . . . . 25.0 103.211 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.411 ' HG3' ' H ' ' A' ' 445' ' ' ASP . 26.2 ptt180 -68.58 -28.98 67.42 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 42.28 30.18 0.19 Allowed 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.974 1.472 . . . . 25.0 114.974 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . 0.411 ' H ' ' HG3' ' A' ' 443' ' ' ARG . 3.3 t0 -78.29 -24.83 46.54 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-O 122.504 1.145 . . . . 25.0 109.332 -178.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -91.25 19.8 5.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.418 -1.265 . . . . 25.0 112.437 -175.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -81.56 27.93 0.42 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.352 1.612 . . . . 25.0 115.352 -173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -102.43 141.83 23.33 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 121.97 -0.456 . . . . 25.0 111.47 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.27 154.25 41.12 Favored 'Trans proline' 0 C--N 1.348 0.514 0 CA-C-O 121.829 0.679 . . . . 25.0 112.803 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -94.19 -157.03 32.7 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.194 -0.912 . . . . 25.0 112.035 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 54.4 t -115.31 102.56 13.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 114.885 -0.657 . . . . 25.0 109.429 -178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 2.7 m -68.88 -17.82 64.04 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.028 -0.533 . . . . 25.0 112.359 179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 103.51 142.41 11.94 Favored Glycine 0 C--O 1.225 -0.412 0 CA-C-N 115.807 -0.633 . . . . 25.0 113.134 178.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -158.87 145.8 17.3 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.577 -0.897 . . . . 25.0 108.577 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 59.9 m -88.41 103.48 15.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.534 0.207 . . . . 25.0 111.156 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -134.03 40.0 3.09 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -43.71 -54.47 5.06 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.25 1.945 . . . . 25.0 116.25 -174.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -66.6 -32.36 73.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.379 -0.825 . . . . 25.0 111.221 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -68.71 -33.74 76.56 Favored Glycine 0 C--O 1.217 -0.927 0 N-CA-C 111.424 -0.671 . . . . 25.0 111.424 178.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -62.02 -39.81 93.55 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -71.6 -35.7 70.59 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.311 -0.555 . . . . 25.0 109.867 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.83 -41.66 82.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.461 -0.336 . . . . 25.0 111.125 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.24 -33.58 76.14 Favored 'General case' 0 C--O 1.215 -0.738 0 O-C-N 122.219 -0.301 . . . . 25.0 111.151 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -59.29 -36.52 75.72 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 119.993 -0.683 . . . . 25.0 110.333 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.95 -45.52 50.67 Favored Glycine 0 C--O 1.218 -0.853 0 N-CA-C 108.885 -1.686 . . . . 25.0 108.885 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.43 -39.1 67.04 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 111.927 0.343 . . . . 25.0 111.927 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 70.7 mm-40 -67.3 -43.77 80.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.056 0.455 . . . . 25.0 111.368 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.32 87.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.135 0.493 . . . . 25.0 110.275 -178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.3 m -71.21 -27.5 29.61 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.852 0 C-N-CA 120.907 -0.317 . . . . 25.0 110.84 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.43 -33.94 68.44 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.225 0.466 . . . . 25.0 111.277 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.15 90.03 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.77 -35.93 67.55 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 120.621 0.248 . . . . 25.0 110.623 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.423 ' HA ' HG12 ' A' ' 476' ' ' VAL . 58.8 mm-40 -67.53 -46.42 72.88 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -64.0 -27.69 69.3 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.244 -0.65 . . . . 25.0 109.244 178.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.43 -52.58 15.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.633 -0.712 . . . . 25.0 111.108 176.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.5 p -63.36 -36.43 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 118.684 0.675 . . . . 25.0 109.846 -175.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -63.6 -34.96 78.99 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.067 -0.515 . . . . 25.0 110.298 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.34 97.54 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.449 -0.5 . . . . 25.0 110.216 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.62 -34.62 57.79 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.33 -27.05 63.79 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-O 121.373 0.606 . . . . 25.0 109.726 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.05 -41.32 22.81 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.25 0.548 . . . . 25.0 110.245 176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.5 mtm -62.56 -28.18 69.69 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.475 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 37.9 p -76.8 -37.49 55.68 Favored 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 119.167 -1.013 . . . . 25.0 110.073 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -77.89 -28.49 49.89 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.423 -0.511 . . . . 25.0 110.01 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -70.87 -30.57 66.99 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.82 -0.808 . . . . 25.0 108.82 175.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -81.78 7.06 63.47 Favored Glycine 0 C--O 1.228 -0.277 0 N-CA-C 111.524 -0.63 . . . . 25.0 111.524 175.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 91.1 mtm180 52.08 36.89 20.01 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.14 1.376 . . . . 25.0 113.481 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -114.38 150.52 34.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.972 -1.121 . . . . 25.0 107.972 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -82.2 45.48 3.35 Favored Glycine 0 C--O 1.227 -0.333 0 N-CA-C 111.854 -0.499 . . . . 25.0 111.854 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.21 -1.022 0 CA-C-O 124.2 1.952 . . . . 25.0 110.937 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 CA-C-O 122.9 1.278 . . . . 25.0 112.915 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 49.1 m -129.25 160.35 33.22 Favored 'General case' 0 CA--C 1.519 -0.229 0 O-C-N 121.63 -0.923 . . . . 25.0 109.038 -178.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -141.9 158.14 44.14 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.232 -1.395 . . . . 25.0 107.232 178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 21.5 t -161.55 -179.86 7.65 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 103.994 -2.595 . . . . 25.0 103.994 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -131.89 144.14 50.65 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.589 -0.522 . . . . 25.0 109.589 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.54 31.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 123.563 0.745 . . . . 25.0 112.601 178.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 65.36 -47.38 0.37 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 116.061 1.875 . . . . 25.0 116.061 179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.45 -27.84 72.3 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 110.634 -0.986 . . . . 25.0 110.634 178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.93 -35.54 73.28 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-O 121.099 0.476 . . . . 25.0 110.911 178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.29 -33.41 57.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.052 0.453 . . . . 25.0 110.169 -176.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.7 m -67.26 -39.23 86.07 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.853 -0.339 . . . . 25.0 110.305 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -73.4 -34.18 65.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.401 0.619 . . . . 25.0 109.654 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 45.9 ttm -58.83 -34.33 71.42 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.999 -179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.72 -35.95 82.27 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.888 0.375 . . . . 25.0 110.205 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.89 -38.99 66.75 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 87.0 t -63.21 -45.83 97.41 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 N-CA-C 109.672 -0.492 . . . . 25.0 109.672 178.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -62.4 -39.36 92.99 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.056 -0.403 . . . . 25.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.57 91.55 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.04 -41.51 90.8 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.315 -0.402 . . . . 25.0 110.453 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.34 -43.91 92.7 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 122.235 1.017 . . . . 25.0 109.43 178.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 67.6 mt -61.25 -44.52 97.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.49 -1.232 . . . . 25.0 112.053 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -73.67 -32.14 63.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.778 0.717 . . . . 25.0 111.803 178.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 3.9 tpp -63.4 -37.8 88.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 54.9 m -60.45 -36.25 77.78 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.867 -0.42 . . . . 25.0 109.867 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 31.6 mmt180 -67.4 -44.25 79.29 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 108.265 -1.013 . . . . 25.0 108.265 178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -62.31 -43.27 99.2 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.5 m -68.23 -38.36 79.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 120.575 -0.45 . . . . 25.0 111.467 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.0 mt -66.57 -34.73 78.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.019 -0.426 . . . . 25.0 110.561 178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -72.56 -31.42 65.24 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.412 -0.218 . . . . 25.0 110.412 177.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -69.29 -39.2 78.46 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.79 0.329 . . . . 25.0 110.136 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 151.99 164.45 12.28 Favored Glycine 0 C--O 1.219 -0.822 0 CA-C-O 122.531 1.073 . . . . 25.0 115.414 176.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -90.55 26.6 1.95 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.761 -0.72 . . . . 25.0 112.659 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -116.63 131.14 57.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.167 0.803 . . . . 25.0 113.167 -174.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -131.8 26.81 4.65 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.109 -1.441 . . . . 25.0 107.109 177.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -65.42 -24.92 67.32 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.432 -0.804 . . . . 25.0 111.196 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -114.87 37.97 3.3 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.008 0.908 . . . . 25.0 110.069 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -113.56 44.38 1.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.574 -0.739 . . . . 25.0 109.018 -179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -65.98 147.76 98.65 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-O 121.286 0.565 . . . . 25.0 111.453 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -78.22 153.58 28.14 Favored 'Trans proline' 0 C--N 1.346 0.432 0 CA-C-O 121.337 0.474 . . . . 25.0 111.305 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -119.66 -92.41 1.38 Allowed Glycine 0 C--O 1.227 -0.324 0 N-CA-C 115.153 0.821 . . . . 25.0 115.153 -178.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 56.7 t -79.48 126.0 38.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 122.085 -0.656 . . . . 25.0 110.74 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 2.9 t 68.76 174.22 0.29 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.641 1.176 . . . . 25.0 113.141 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -179.0 -176.14 46.59 Favored Glycine 0 N--CA 1.45 -0.371 0 N-CA-C 110.787 -0.925 . . . . 25.0 110.787 -177.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -69.6 148.88 48.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.958 0.409 . . . . 25.0 110.159 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -144.85 176.03 9.76 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.49 -1.67 . . . . 25.0 106.49 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 69.03 170.8 0.3 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.671 1.189 . . . . 25.0 113.075 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -105.75 -76.72 0.6 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.338 -0.846 . . . . 25.0 112.242 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -64.06 -30.05 71.15 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.314 0.578 . . . . 25.0 111.929 -179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.55 -33.77 83.12 Favored Glycine 0 C--O 1.222 -0.6 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.174 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -66.14 -44.51 83.98 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 122.289 -0.536 . . . . 25.0 110.315 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.0 mmt-85 -65.25 -36.63 84.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 -178.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.0 -46.24 82.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.317 -0.402 . . . . 25.0 110.608 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.63 -37.19 84.33 Favored 'General case' 0 C--O 1.212 -0.87 0 C-N-CA 120.794 -0.362 . . . . 25.0 110.843 -179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -59.97 -35.13 74.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.494 0.588 . . . . 25.0 110.422 177.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.46 -49.48 50.78 Favored Glycine 0 C--O 1.214 -1.113 0 N-CA-C 108.103 -1.999 . . . . 25.0 108.103 176.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.53 64.41 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -74.13 -43.48 57.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.017 0.437 . . . . 25.0 110.739 178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.13 99.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.189 0.519 . . . . 25.0 109.958 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.8 m -70.07 -31.42 47.59 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.322 0 C-N-CA 120.37 -0.532 . . . . 25.0 109.982 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.9 76.44 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.876 0.762 . . . . 25.0 111.019 -179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.05 85.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -71.98 -31.7 66.51 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.693 -0.23 . . . . 25.0 111.148 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.4 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.6 mm-40 -71.52 -44.76 64.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.924 -0.485 . . . . 25.0 110.676 -178.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 6.8 ptm85 -65.47 -28.5 69.25 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.79 -51.91 29.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.158 -0.474 . . . . 25.0 110.635 177.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.1 p -62.99 -35.52 71.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-O 121.366 0.603 . . . . 25.0 109.51 -176.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -62.84 -37.06 85.31 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.795 -0.639 . . . . 25.0 110.433 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.88 87.91 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.187 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.09 -35.22 67.54 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.33 -27.52 64.22 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.868 -0.419 . . . . 25.0 109.868 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.5 mt -81.11 -43.43 19.44 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 120.984 0.421 . . . . 25.0 110.786 176.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 40.4 mtm -59.77 -24.63 64.24 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 115.934 -0.575 . . . . 25.0 112.158 -178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.1 p -78.8 -23.8 44.94 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 119.268 -0.973 . . . . 25.0 109.978 -176.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -89.84 -43.72 10.43 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 115.978 -0.556 . . . . 25.0 110.74 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -66.57 -20.24 65.96 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.711 -0.848 . . . . 25.0 108.711 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -105.23 2.57 40.39 Favored Glycine 0 C--O 1.224 -0.474 0 CA-C-N 115.664 -0.698 . . . . 25.0 112.689 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 35.35 58.72 0.81 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.32 1.048 . . . . 25.0 111.907 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -67.93 63.67 0.08 Allowed 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 116.762 2.134 . . . . 25.0 116.762 -173.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -81.7 61.98 4.57 Favored Glycine 0 C--O 1.225 -0.434 0 N-CA-C 110.513 -1.035 . . . . 25.0 110.513 176.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 124.924 2.297 . . . . 25.0 112.754 -177.154 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.912 0 CA-C-O 125.064 2.48 . . . . 25.0 110.739 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 80.4 p -76.05 -14.47 60.21 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 112.403 -1.899 . . . . 25.0 111.802 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 59.27 22.75 11.08 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.082 0.953 . . . . 25.0 111.65 -177.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 42.8 t -85.26 153.04 22.86 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.603 -1.629 . . . . 25.0 106.603 176.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -69.79 152.49 44.53 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 106.728 -1.582 . . . . 25.0 106.728 175.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 43.6 t -84.59 149.57 25.79 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -70.47 -20.66 62.85 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.691 -1.141 . . . . 25.0 109.558 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.94 -32.67 77.69 Favored Glycine 0 C--O 1.219 -0.838 0 N-CA-C 110.499 -1.04 . . . . 25.0 110.499 177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.43 -35.83 82.09 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 108.584 -0.895 . . . . 25.0 108.584 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.66 -35.87 57.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.172 0.511 . . . . 25.0 110.086 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 60.4 m -65.39 -40.78 93.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 122.038 -0.414 . . . . 25.0 110.026 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -70.52 -35.73 73.35 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.424 -0.584 . . . . 25.0 109.424 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 49.8 ttm -59.85 -40.6 89.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.924 0.392 . . . . 25.0 110.851 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.2 -33.41 75.42 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.214 0.53 . . . . 25.0 110.149 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.36 -36.74 71.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.762 -0.459 . . . . 25.0 109.762 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 87.8 t -64.54 -45.58 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 178.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -57.87 -47.25 83.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.327 0.584 . . . . 25.0 110.206 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.03 -40.39 96.21 Favored 'General case' 0 C--O 1.239 0.521 0 O-C-N 122.128 -0.357 . . . . 25.0 110.571 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.55 -46.39 79.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.124 -0.489 . . . . 25.0 112.031 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -68.99 -34.78 75.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 119.758 -0.777 . . . . 25.0 110.333 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 49.8 mt -63.46 -44.67 93.81 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.796 -0.446 . . . . 25.0 109.796 178.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -73.88 -32.12 63.46 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.186 -1.006 . . . . 25.0 113.259 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 56.5 mtm -65.4 -33.81 76.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.507 0.594 . . . . 25.0 109.673 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.6 m -59.35 -36.66 76.13 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 175.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 85.5 mtm-85 -67.35 -40.19 85.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.455 -0.778 . . . . 25.0 109.769 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 60.3 mm-40 -64.29 -44.13 92.64 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.607 -0.437 . . . . 25.0 111.786 -178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.97 -32.19 53.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.72 0.637 . . . . 25.0 112.72 -176.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.4 mt -70.9 -22.01 62.31 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 111.699 0.259 . . . . 25.0 111.699 177.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -95.1 -4.06 46.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.717 0.294 . . . . 25.0 110.932 176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -88.92 179.05 6.26 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.516 0.674 . . . . 25.0 110.548 -178.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -77.04 153.35 41.59 Favored Glycine 0 N--CA 1.451 -0.352 0 N-CA-C 109.454 -1.458 . . . . 25.0 109.454 177.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -66.32 133.85 51.38 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 123.711 1.72 . . . . 25.0 110.789 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -53.11 -62.3 1.74 Allowed 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 109.958 -3.292 . . . . 25.0 112.839 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 51.32 31.46 7.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.625 0.972 . . . . 25.0 113.625 177.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -66.47 -34.46 77.98 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.792 0.806 . . . . 25.0 110.781 -174.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -135.78 34.97 2.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 104.951 -2.24 . . . . 25.0 104.951 177.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 49.85 43.64 25.01 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 113.898 -1.501 . . . . 25.0 111.363 -177.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -61.33 140.47 94.59 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 114.836 -1.074 . . . . 25.0 112.797 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.1 171.11 18.95 Favored 'Trans proline' 0 C--N 1.345 0.373 0 CA-C-O 121.574 0.572 . . . . 25.0 112.195 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 85.52 -57.59 4.9 Favored Glycine 0 C--O 1.226 -0.373 0 CA-C-N 116.014 -0.539 . . . . 25.0 111.893 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 30.7 t -117.74 83.84 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.285 -1.376 . . . . 25.0 107.285 178.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 77.3 p -142.19 174.25 10.78 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 -177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -136.91 155.7 22.84 Favored Glycine 0 C--O 1.224 -0.516 0 N-CA-C 110.442 -1.063 . . . . 25.0 110.442 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -75.88 -19.21 59.03 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 120.944 0.402 . . . . 25.0 111.639 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 31.4 t -157.8 161.91 38.43 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.325 -1.361 . . . . 25.0 107.325 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -143.36 152.34 41.5 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 106.696 -1.594 . . . . 25.0 106.696 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -105.82 -76.66 0.6 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.083 0.468 . . . . 25.0 109.967 178.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -67.12 -27.04 66.99 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.23 0.538 . . . . 25.0 111.372 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.58 -33.82 67.94 Favored Glycine 0 C--O 1.218 -0.867 0 CA-C-N 115.297 -0.865 . . . . 25.0 112.028 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.6 -41.43 94.76 Favored 'General case' 0 C--O 1.217 -0.638 0 O-C-N 122.099 -0.647 . . . . 25.0 110.992 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -74.8 -34.03 62.33 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.43 -0.508 . . . . 25.0 109.793 -178.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.08 -45.31 92.74 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.064 -0.516 . . . . 25.0 109.881 177.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.53 -38.96 92.84 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 110.197 -0.297 . . . . 25.0 110.197 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -59.76 -34.9 73.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 119.175 0.898 . . . . 25.0 110.558 177.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.89 -49.41 42.11 Favored Glycine 0 C--O 1.215 -1.055 0 N-CA-C 109.441 -1.464 . . . . 25.0 109.441 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.21 -36.74 66.27 Favored 'General case' 0 C--O 1.213 -0.841 0 N-CA-C 112.316 0.487 . . . . 25.0 112.316 -176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -76.79 -36.95 56.63 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.81 -44.04 82.26 Favored 'General case' 0 C--N 1.311 -1.073 0 O-C-N 124.505 1.128 . . . . 25.0 110.298 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 24.2 m -69.09 -30.1 45.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.113 -0.494 . . . . 25.0 110.32 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.56 -34.2 64.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.196 0.453 . . . . 25.0 111.414 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.56 87.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.81 0.338 . . . . 25.0 110.221 177.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.66 -34.56 67.32 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.65 -0.25 . . . . 25.0 110.785 176.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.443 ' HA ' HG12 ' A' ' 476' ' ' VAL . 39.0 mm-40 -68.43 -45.77 71.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.008 0.432 . . . . 25.0 111.729 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -63.49 -26.58 68.78 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.074 -0.713 . . . . 25.0 109.074 178.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.76 -51.4 14.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.726 177.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.3 p -63.5 -36.93 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 CA-C-N 118.718 0.69 . . . . 25.0 109.492 -176.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -63.49 -35.2 79.67 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.848 -0.615 . . . . 25.0 110.091 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.67 -45.22 92.7 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.519 -0.472 . . . . 25.0 110.183 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.04 -34.87 61.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.72 -26.91 64.39 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.439 0.637 . . . . 25.0 109.67 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.35 -42.33 20.69 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-O 121.361 0.6 . . . . 25.0 110.383 176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.3 mtm -61.13 -26.56 67.76 Favored 'General case' 0 CA--C 1.502 -0.897 0 CA-C-N 116.139 -0.482 . . . . 25.0 111.584 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.1 p -77.47 -37.13 52.0 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 119.323 -0.951 . . . . 25.0 110.325 -176.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -79.17 -27.6 42.69 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.475 177.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -74.31 -34.87 63.6 Favored 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 121.746 -0.596 . . . . 25.0 110.083 175.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -72.33 -37.54 58.99 Favored Glycine 0 C--O 1.229 -0.184 0 CA-C-O 119.609 -0.55 . . . . 25.0 111.74 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 38.01 49.25 1.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 124.538 1.135 . . . . 25.0 113.688 176.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -72.32 165.28 24.8 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.486 -1.233 . . . . 25.0 110.901 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 148.4 -39.11 0.99 Allowed Glycine 0 C--O 1.226 -0.399 0 N-CA-C 109.836 -1.306 . . . . 25.0 109.836 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.21 -0.993 0 CA-C-O 123.461 1.601 . . . . 25.0 112.549 178.88 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.078 0 CA-C-O 123.85 1.806 . . . . 25.0 113.07 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 17.7 m -63.47 150.48 43.65 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 113.725 -1.237 . . . . 25.0 110.024 178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -127.91 155.8 43.62 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 107.795 -1.187 . . . . 25.0 107.795 -178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 20.9 p -89.45 3.7 51.5 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 123.403 0.44 . . . . 25.0 111.318 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 43.6 p90 -138.07 150.98 47.39 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.725 -0.472 . . . . 25.0 109.725 -177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 66.7 m -87.04 164.45 16.46 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.284 -1.746 . . . . 25.0 106.284 176.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.41 -10.39 16.34 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 118.115 2.635 . . . . 25.0 118.115 -170.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.91 -33.51 55.02 Favored Glycine 0 C--O 1.223 -0.547 0 N-CA-C 108.612 -1.795 . . . . 25.0 108.612 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.5 mp0 -66.97 -36.44 82.21 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 113.662 -1.269 . . . . 25.0 109.531 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 74.5 t -65.3 -32.25 57.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.27 0.557 . . . . 25.0 109.609 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 44.0 m -70.9 -38.7 73.0 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.724 -0.391 . . . . 25.0 110.516 178.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -72.65 -32.9 66.2 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.613 0.72 . . . . 25.0 109.613 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.6 mtp -60.44 -41.49 94.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.117 178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.33 -32.99 74.32 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.981 0.419 . . . . 25.0 110.686 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.21 -46.81 60.41 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.48 -0.327 . . . . 25.0 110.923 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.07 -35.51 69.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 C-N-CA 121.01 -0.276 . . . . 25.0 110.459 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.13 -43.51 82.44 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.837 -0.431 . . . . 25.0 109.837 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.3 88.94 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.934 -0.306 . . . . 25.0 110.712 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.01 -42.89 79.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.713 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.13 -44.15 89.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.194 0.521 . . . . 25.0 109.786 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.85 -40.75 96.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.029 -0.532 . . . . 25.0 111.504 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -73.77 -29.24 62.09 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 119.576 -0.85 . . . . 25.0 111.623 177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 27.9 mtm -63.49 -37.57 87.79 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.088 -0.383 . . . . 25.0 110.769 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 4.3 m -57.93 -31.88 67.25 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 122.022 0.915 . . . . 25.0 110.761 176.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -72.01 -36.77 69.81 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.821 -0.549 . . . . 25.0 110.377 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -66.49 -41.62 88.63 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.266 -1.383 . . . . 25.0 107.266 177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.92 -40.1 81.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.905 -1.043 . . . . 25.0 110.965 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 17.2 mt -67.78 -12.42 60.55 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.041 0.756 . . . . 25.0 113.041 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -118.96 11.84 12.63 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.94 0.4 . . . . 25.0 110.816 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -97.5 136.35 38.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.263 0.554 . . . . 25.0 111.241 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -82.17 53.82 4.8 Favored Glycine 0 C--O 1.229 -0.172 0 N-CA-C 110.57 -1.012 . . . . 25.0 110.57 176.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -147.32 -136.75 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 -177.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.541 ' C ' ' H ' ' A' ' 445' ' ' ASP . 5.3 mtm-85 -79.98 91.78 5.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 113.338 0.866 . . . . 25.0 113.338 -178.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -85.78 27.97 0.82 Allowed 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 106.229 -1.767 . . . . 25.0 106.229 168.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . 0.541 ' H ' ' C ' ' A' ' 443' ' ' ARG . 19.5 t0 -73.66 -19.21 60.9 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 126.199 1.799 . . . . 25.0 111.044 -175.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -129.81 73.14 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.514 -1.661 . . . . 25.0 106.514 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -138.1 34.1 2.35 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 113.98 -1.464 . . . . 25.0 107.83 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -64.11 139.25 97.64 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-N 115.713 -0.676 . . . . 25.0 111.366 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -76.29 151.75 34.2 Favored 'Trans proline' 0 C--N 1.348 0.535 0 CA-C-O 121.625 0.594 . . . . 25.0 112.297 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -99.8 -165.83 29.3 Favored Glycine 0 N--CA 1.441 -0.976 0 CA-C-O 123.385 1.547 . . . . 25.0 112.397 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 61.8 t -76.93 133.45 30.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 CA-C-N 113.176 -1.512 . . . . 25.0 109.612 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 77.4 p -150.6 167.77 26.27 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 91.03 -156.66 24.52 Favored Glycine 0 CA--C 1.517 0.177 0 C-N-CA 121.31 -0.471 . . . . 25.0 112.742 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 62.61 179.2 0.14 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.6 1.16 . . . . 25.0 113.633 -178.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 50.2 m -90.45 145.39 24.95 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -135.17 143.16 46.32 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 110.575 -0.157 . . . . 25.0 110.575 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -105.76 -74.55 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 174.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -62.47 -30.07 70.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.377 0.608 . . . . 25.0 111.566 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -58.22 -29.3 62.67 Favored Glycine 0 C--O 1.221 -0.687 0 CA-C-N 115.323 -0.853 . . . . 25.0 112.89 178.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . 0.411 ' HA ' HD23 ' A' ' 463' ' ' LEU . 87.9 mt-30 -61.86 -36.93 82.68 Favored 'General case' 0 C--O 1.22 -0.486 0 O-C-N 122.065 -0.667 . . . . 25.0 110.958 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -76.42 -32.07 58.28 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.444 -0.502 . . . . 25.0 109.817 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.85 -38.13 88.02 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.163 -0.31 . . . . 25.0 110.163 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.3 OUTLIER -64.59 -32.04 73.53 Favored 'General case' 0 C--O 1.213 -0.85 0 O-C-N 121.996 -0.44 . . . . 25.0 110.335 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -61.58 -30.02 70.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.589 -0.694 . . . . 25.0 111.147 176.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.85 -42.8 37.05 Favored Glycine 0 C--O 1.218 -0.859 0 N-CA-C 107.652 -2.179 . . . . 25.0 107.652 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.79 -37.6 68.82 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 120.889 0.376 . . . . 25.0 111.165 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.0 -43.11 83.77 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.038 0.447 . . . . 25.0 111.272 177.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.33 -45.25 85.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.875 0.369 . . . . 25.0 110.14 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 14.1 m -68.84 -31.21 49.76 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.743 0 N-CA-C 109.779 -0.452 . . . . 25.0 109.779 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.91 67.61 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 118.279 0.491 . . . . 25.0 111.718 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.93 88.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.735 -0.469 . . . . 25.0 109.735 177.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.55 -35.85 65.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.82 0.343 . . . . 25.0 110.441 175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.439 ' HA ' HG12 ' A' ' 476' ' ' VAL . 37.6 mm-40 -68.97 -44.49 72.82 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.926 0.343 . . . . 25.0 111.926 -177.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 46.3 ptt85 -64.42 -28.75 69.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.71 -53.37 11.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.352 -0.84 . . . . 25.0 110.856 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.439 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -62.58 -36.73 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 118.599 0.636 . . . . 25.0 109.524 -176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -63.43 -36.53 84.03 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 116.261 -0.427 . . . . 25.0 110.175 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.98 91.03 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.506 -0.478 . . . . 25.0 110.198 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mt -73.13 -33.26 41.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.374 -0.53 . . . . 25.0 109.914 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.02 -29.53 67.33 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.5 mt -76.3 -44.8 35.38 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 109.616 -0.513 . . . . 25.0 109.616 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 41.1 mtm -62.11 -31.37 71.82 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 121.362 0.601 . . . . 25.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 29.7 p -80.22 -31.33 38.64 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.408 -0.917 . . . . 25.0 110.006 -175.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -79.95 -30.92 39.98 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 119.578 -0.849 . . . . 25.0 110.543 175.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.81 -35.34 79.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 118.682 0.674 . . . . 25.0 109.633 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -66.75 -13.43 61.26 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 121.14 -0.552 . . . . 25.0 114.037 178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -125.28 19.62 8.19 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 117.324 0.562 . . . . 25.0 111.17 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -74.83 9.07 2.03 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.055 1.131 . . . . 25.0 114.055 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -79.16 41.31 2.22 Favored Glycine 0 C--O 1.221 -0.703 0 CA-C-O 121.602 0.557 . . . . 25.0 113.216 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.209 -1.072 0 CA-C-O 123.073 1.416 . . . . 25.0 114.754 -178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.789 0 CA-C-O 123.412 1.562 . . . . 25.0 113.645 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.95 143.41 37.94 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 114.635 -0.782 . . . . 25.0 112.075 -178.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -119.76 111.4 17.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 115.416 1.636 . . . . 25.0 115.416 -174.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 2.8 m 64.63 178.41 0.18 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.078 1.51 . . . . 25.0 115.078 176.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -81.75 51.22 1.66 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.065 1.135 . . . . 25.0 114.065 -176.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.65 32.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.55 -0.719 . . . . 25.0 111.712 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 60.07 -62.49 0.06 Allowed 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 116.879 2.177 . . . . 25.0 116.879 177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.1 -32.86 83.63 Favored Glycine 0 C--O 1.22 -0.732 0 N-CA-C 109.055 -1.618 . . . . 25.0 109.055 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -63.07 -36.72 84.54 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 114.831 -0.684 . . . . 25.0 110.053 177.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 18.3 t -71.8 -36.04 57.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.633 -0.506 . . . . 25.0 109.633 -176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 57.6 m -65.6 -38.33 89.18 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.443 178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -72.38 -36.21 68.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.359 0.599 . . . . 25.0 109.461 178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 44.1 ttm -60.39 -38.27 83.4 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.139 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.46 74.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.97 0.414 . . . . 25.0 110.685 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.63 -38.14 70.79 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.89 -42.89 92.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.179 -0.674 . . . . 25.0 109.179 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -59.44 -42.93 93.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.816 0.341 . . . . 25.0 110.205 178.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.91 -39.46 94.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.407 -0.22 . . . . 25.0 110.407 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.11 97.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.681 -0.236 . . . . 25.0 110.948 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.1 -44.58 96.34 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-O 121.679 0.752 . . . . 25.0 109.511 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 76.7 mt -62.77 -41.48 99.26 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.684 -0.689 . . . . 25.0 112.41 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -75.8 -32.17 59.75 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 119.631 -0.828 . . . . 25.0 111.627 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 59.0 mtm -65.32 -33.3 75.66 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.103 -0.373 . . . . 25.0 110.167 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.7 m -56.85 -38.21 72.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.335 0.588 . . . . 25.0 109.582 176.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -67.9 -36.2 79.8 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 121.421 -0.799 . . . . 25.0 110.575 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -66.46 -44.12 83.63 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.796 -0.362 . . . . 25.0 110.779 -179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 20.6 m -69.33 -31.59 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -176.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 66.8 mt -60.06 -54.81 41.53 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.165 -0.68 . . . . 25.0 109.165 177.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -62.76 -36.08 81.89 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.307 0.484 . . . . 25.0 112.307 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -67.72 -21.81 65.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.301 0.852 . . . . 25.0 113.301 -177.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 135.08 46.69 0.09 OUTLIER Glycine 0 C--O 1.242 0.595 0 N-CA-C 116.027 1.171 . . . . 25.0 116.027 179.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -79.54 77.38 6.13 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.86 -1.163 . . . . 25.0 107.86 176.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 53.64 -119.36 1.48 Allowed 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 -175.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -137.67 30.71 2.57 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 176.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -68.91 -29.07 67.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.222 -0.899 . . . . 25.0 109.763 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -139.47 63.25 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 177.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -94.76 43.19 1.09 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.301 -0.863 . . . . 25.0 109.291 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -122.71 150.29 58.04 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 120.771 0.32 . . . . 25.0 111.17 -177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -79.45 2.74 8.1 Favored 'Trans proline' 0 C--N 1.348 0.527 0 N-CA-C 113.828 0.665 . . . . 25.0 113.828 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 126.94 146.57 6.52 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.954 -0.859 . . . . 25.0 110.954 -178.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.66 -29.34 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 CA-C-O 121.792 0.806 . . . . 25.0 111.606 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 42.8 m -70.86 147.0 49.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.166 0.508 . . . . 25.0 112.354 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 155.1 -40.96 0.61 Allowed Glycine 0 C--O 1.226 -0.359 0 N-CA-C 111.589 -0.604 . . . . 25.0 111.589 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 59.89 7.05 1.02 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 115.68 1.733 . . . . 25.0 115.68 177.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.6 t -151.46 139.35 19.93 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -160.66 151.35 18.45 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -108.82 -62.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.04 0.448 . . . . 25.0 111.09 174.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -57.58 -43.0 84.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.927 0.87 . . . . 25.0 111.917 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.57 -29.35 66.61 Favored Glycine 0 C--O 1.219 -0.811 0 CA-C-N 114.506 -1.225 . . . . 25.0 113.926 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -67.65 -42.11 82.77 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 118.333 1.067 . . . . 25.0 110.084 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -70.62 -31.49 68.47 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 119.947 -0.701 . . . . 25.0 109.353 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.81 -45.48 86.07 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.367 -0.605 . . . . 25.0 109.367 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -39.97 94.08 Favored 'General case' 0 C--O 1.218 -0.601 0 C-N-CA 120.699 -0.401 . . . . 25.0 110.335 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -62.76 -34.43 77.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 118.749 0.704 . . . . 25.0 111.096 177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.41 -47.93 67.02 Favored Glycine 0 C--O 1.22 -0.748 0 N-CA-C 108.29 -1.924 . . . . 25.0 108.29 177.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.26 -39.54 69.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.643 0.258 . . . . 25.0 111.299 179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -65.46 -44.71 86.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.999 0.428 . . . . 25.0 110.853 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.95 -43.91 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.105 -0.498 . . . . 25.0 111.06 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.6 m -70.36 -27.18 30.83 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 C-N-CA 120.444 -0.503 . . . . 25.0 110.695 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.22 -34.77 70.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.503 0.592 . . . . 25.0 110.359 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.57 84.01 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.906 -0.405 . . . . 25.0 109.906 177.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.13 -36.1 66.64 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 120.563 0.221 . . . . 25.0 111.028 177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.427 ' HA ' HG12 ' A' ' 476' ' ' VAL . 36.8 mm-40 -68.91 -45.23 71.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 121.884 -0.51 . . . . 25.0 111.722 -179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.07 -26.7 68.67 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.375 -0.602 . . . . 25.0 109.375 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.3 tp -74.57 -51.16 15.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.62 -0.718 . . . . 25.0 111.375 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.3 p -63.26 -36.85 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 118.616 0.643 . . . . 25.0 109.495 -176.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -64.8 -34.69 78.95 Favored 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 116.12 -0.491 . . . . 25.0 110.707 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.9 -42.7 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.773 -0.58 . . . . 25.0 110.088 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 4.0 mt -70.64 -34.83 58.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.622 -0.51 . . . . 25.0 109.622 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.95 -26.56 64.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.349 0.595 . . . . 25.0 109.476 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -80.81 -42.21 22.05 Favored 'General case' 0 C--O 1.208 -1.106 0 N-CA-C 109.669 -0.493 . . . . 25.0 109.669 177.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.6 mtm -60.94 -30.76 70.41 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.8 0.333 . . . . 25.0 111.458 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 32.8 p -75.33 -36.87 61.0 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.655 -0.818 . . . . 25.0 109.889 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -82.65 -26.46 32.13 Favored 'General case' 0 C--O 1.216 -0.685 0 C-N-CA 120.479 -0.488 . . . . 25.0 111.355 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -71.62 -33.94 69.4 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 118.901 0.773 . . . . 25.0 110.309 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -72.07 -25.4 74.75 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.377 -0.916 . . . . 25.0 113.285 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -142.96 65.63 1.34 Allowed 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.05 0.453 . . . . 25.0 110.063 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -66.65 141.33 57.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.907 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -85.61 2.86 87.81 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-O 121.704 0.613 . . . . 25.0 113.11 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 21.2 t . . . . . 0 C--O 1.213 -0.85 0 CA-C-O 123.028 1.394 . . . . 25.0 109.682 179.404 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.29 0 CA-C-O 123.237 1.465 . . . . 25.0 112.941 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 44.0 m -81.9 147.95 29.02 Favored 'General case' 0 N--CA 1.462 0.137 0 O-C-N 121.055 -1.262 . . . . 25.0 109.827 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -66.41 151.44 47.16 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 177.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 70.8 m -137.38 161.49 36.16 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 105.363 -2.088 . . . . 25.0 105.363 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -160.1 159.3 31.67 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.952 -1.129 . . . . 25.0 107.952 -177.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 11.5 t -87.59 30.81 0.78 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.27 0.628 . . . . 25.0 112.148 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 62.77 -46.43 0.2 Allowed 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 118.277 2.695 . . . . 25.0 118.277 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.29 -30.35 77.59 Favored Glycine 0 C--O 1.22 -0.726 0 N-CA-C 109.722 -1.351 . . . . 25.0 109.722 178.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -63.97 -22.44 66.93 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 115.085 -0.558 . . . . 25.0 111.421 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 48.9 t -74.24 -32.9 33.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.5 m -68.37 -38.44 81.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -70.02 -33.32 71.86 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.252 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 42.0 ttm -62.37 -37.14 84.59 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.732 0.301 . . . . 25.0 110.601 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.96 -34.05 77.1 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.44 -36.0 73.7 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 86.0 t -65.81 -44.33 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 N-CA-C 109.603 -0.517 . . . . 25.0 109.603 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -60.78 -43.71 97.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.143 0.497 . . . . 25.0 109.8 179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.22 91.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.746 -0.596 . . . . 25.0 110.55 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.19 -46.73 79.57 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.787 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -66.66 -31.08 71.53 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.031 -0.668 . . . . 25.0 110.532 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.36 -45.64 83.33 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.057 177.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -73.7 -30.3 62.77 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.776 -0.77 . . . . 25.0 111.0 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 5.4 tpp -59.41 -44.48 92.82 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 176.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 56.6 m -60.16 -40.71 90.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.304 0.574 . . . . 25.0 111.081 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.33 -43.56 98.54 Favored 'General case' 0 CA--C 1.506 -0.749 0 CA-C-O 121.474 0.654 . . . . 25.0 109.923 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -66.48 -43.69 84.72 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.041 -0.981 . . . . 25.0 110.943 178.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 1.2 t -58.01 -37.18 59.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 124.29 1.036 . . . . 25.0 112.797 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.27 -17.83 63.99 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -118.51 20.57 12.96 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 122.71 0.404 . . . . 25.0 110.95 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -132.94 175.82 9.03 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.851 0.834 . . . . 25.0 112.125 -177.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -85.94 82.07 1.68 Allowed Glycine 0 C--O 1.222 -0.603 0 CA-C-N 115.56 -0.746 . . . . 25.0 112.159 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -125.13 127.52 46.99 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -137.77 162.85 32.84 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -88.71 40.21 0.96 Allowed 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 107.584 -1.265 . . . . 25.0 107.584 174.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 11.2 t70 59.54 -60.08 0.05 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.677 1.991 . . . . 25.0 115.131 -172.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -147.65 35.9 0.87 Allowed 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.416 -0.957 . . . . 25.0 108.416 -178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 53.54 47.19 24.52 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 114.547 -1.206 . . . . 25.0 112.453 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -51.88 129.24 37.76 Favored Pre-proline 0 C--O 1.243 0.75 0 CA-C-N 115.649 -0.705 . . . . 25.0 112.035 -179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -79.23 130.3 9.13 Favored 'Trans proline' 0 C--N 1.346 0.43 0 CA-C-O 122.015 0.756 . . . . 25.0 113.788 -178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -165.76 138.94 5.5 Favored Glycine 0 N--CA 1.45 -0.385 0 N-CA-C 110.557 -1.017 . . . . 25.0 110.557 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.27 117.55 53.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 108.481 -0.933 . . . . 25.0 108.481 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 11.6 t 68.44 152.49 0.09 Allowed 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.84 1.256 . . . . 25.0 110.91 -174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -78.82 -12.9 83.7 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 120.581 -0.819 . . . . 25.0 111.509 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -170.35 -76.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.2 m -157.67 -57.12 0.08 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.375 -0.829 . . . . 25.0 109.303 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 67.09 143.93 0.04 OUTLIER 'General case' 0 C--O 1.214 -0.806 0 C-N-CA 126.01 1.724 . . . . 25.0 112.431 -177.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -105.86 -74.58 0.65 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.842 -0.536 . . . . 25.0 111.339 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.6 m-90 -60.28 -29.83 69.07 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.197 0.814 . . . . 25.0 113.197 -177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.49 -33.9 88.5 Favored Glycine 0 C--O 1.226 -0.364 0 C-N-CA 120.759 -0.734 . . . . 25.0 111.332 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -67.59 -45.16 76.3 Favored 'General case' 0 C--O 1.213 -0.851 0 N-CA-C 108.391 -0.966 . . . . 25.0 108.391 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 62.8 mmt-85 -62.34 -38.48 89.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.151 -0.477 . . . . 25.0 110.14 -177.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.58 -46.83 81.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.147 -0.479 . . . . 25.0 110.19 178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.55 -37.65 85.44 Favored 'General case' 0 C--O 1.214 -0.809 0 C-N-CA 120.489 -0.484 . . . . 25.0 110.569 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -59.54 -36.68 76.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 118.327 0.512 . . . . 25.0 110.059 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.56 -48.81 54.73 Favored Glycine 0 C--O 1.218 -0.898 0 N-CA-C 108.712 -1.755 . . . . 25.0 108.712 176.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.83 -37.84 64.01 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -71.21 -41.79 69.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.07 0.462 . . . . 25.0 110.952 179.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.02 -44.03 81.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.167 0.508 . . . . 25.0 110.57 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.3 m -69.17 -26.55 32.19 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.933 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.523 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.64 -33.82 66.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 118.143 0.429 . . . . 25.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.02 -38.33 90.56 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 109.802 -0.444 . . . . 25.0 109.802 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.79 65.23 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.65 -0.25 . . . . 25.0 110.719 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.453 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.8 mm-40 -70.79 -46.05 63.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.974 -0.454 . . . . 25.0 111.693 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -63.19 -27.66 69.51 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.827 -0.805 . . . . 25.0 108.827 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -73.17 -52.27 14.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.775 -0.648 . . . . 25.0 111.052 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.8 p -63.2 -36.23 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-N 118.754 0.706 . . . . 25.0 109.617 -176.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -63.79 -35.2 79.83 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.277 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.18 97.7 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.539 -0.464 . . . . 25.0 110.129 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.9 -34.26 55.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.745 -0.465 . . . . 25.0 109.745 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.93 63.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.407 0.623 . . . . 25.0 109.734 178.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.3 mt -80.35 -42.34 23.08 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-O 121.131 0.491 . . . . 25.0 109.931 176.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.2 mtm -62.44 -27.6 69.22 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.972 0.415 . . . . 25.0 111.685 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.4 p -77.37 -33.17 55.29 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 119.441 -0.903 . . . . 25.0 110.556 -175.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.58 -35.33 30.32 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.48 -0.488 . . . . 25.0 110.181 175.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -68.93 -24.01 64.23 Favored 'General case' 0 C--O 1.22 -0.483 0 O-C-N 121.948 -0.47 . . . . 25.0 110.368 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -69.31 -8.36 59.0 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.78 -0.724 . . . . 25.0 112.46 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -134.83 18.54 3.52 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 117.069 0.435 . . . . 25.0 111.911 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -149.26 144.62 26.62 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 -179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -70.86 -20.3 77.53 Favored Glycine 0 C--O 1.225 -0.453 0 CA-C-O 122.097 0.831 . . . . 25.0 112.181 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 28.5 t . . . . . 0 C--O 1.211 -0.924 0 CA-C-O 123.403 1.573 . . . . 25.0 109.174 179.347 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.83 0 CA-C-O 125.044 2.469 . . . . 25.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 51.1 m -67.53 135.76 53.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 112.5 -1.85 . . . . 25.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 95.5 mtm-85 -98.8 -21.91 16.11 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 109.031 -0.729 . . . . 25.0 109.031 175.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 27.3 m -91.07 158.11 16.85 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 105.474 -2.047 . . . . 25.0 105.474 175.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -62.16 125.25 23.23 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.587 0.708 . . . . 25.0 111.363 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.5 t -85.23 40.21 0.81 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 61.11 -57.53 0.1 Allowed 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 117.059 2.244 . . . . 25.0 117.059 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.04 -24.86 74.54 Favored Glycine 0 C--O 1.223 -0.587 0 N-CA-C 107.889 -2.084 . . . . 25.0 107.889 175.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -62.67 -28.26 69.81 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.347 -0.927 . . . . 25.0 110.981 177.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.52 -33.42 63.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.985 -0.447 . . . . 25.0 109.9 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 36.6 m -69.17 -36.9 77.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.819 -0.551 . . . . 25.0 110.882 178.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -75.22 -31.25 60.8 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.087 -0.709 . . . . 25.0 109.087 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 55.0 ttp -63.38 -42.49 98.85 Favored 'General case' 0 C--O 1.215 -0.749 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.2 -32.56 74.31 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-O 121.236 0.541 . . . . 25.0 110.726 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.78 -46.23 63.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.743 0.306 . . . . 25.0 111.166 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.9 p -69.95 -33.08 53.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 122.387 -0.195 . . . . 25.0 110.755 -178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -57.2 -45.68 83.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.267 -0.642 . . . . 25.0 109.267 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.35 85.28 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.815 -0.553 . . . . 25.0 110.486 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.81 79.06 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.081 -0.508 . . . . 25.0 111.823 -178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -69.7 -31.61 69.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.585 -0.697 . . . . 25.0 109.668 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 21.5 mt -62.59 -43.64 98.3 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.641 -0.424 . . . . 25.0 109.858 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -73.7 -32.48 63.94 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 119.219 -0.992 . . . . 25.0 112.474 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 50.5 mtm -66.62 -33.97 76.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 118.228 0.467 . . . . 25.0 110.315 177.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.8 m -58.56 -36.68 74.28 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.234 -0.654 . . . . 25.0 109.234 176.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 9.5 mtm-85 -65.84 -41.39 91.81 Favored 'General case' 0 C--O 1.218 -0.563 0 O-C-N 121.547 -0.72 . . . . 25.0 109.83 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 -63.39 -44.94 93.25 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.726 -0.39 . . . . 25.0 111.555 -178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.2 m -70.29 -34.68 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 112.887 0.699 . . . . 25.0 112.887 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 73.4 mt -69.78 -21.97 63.38 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.151 0.426 . . . . 25.0 112.151 177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -96.17 -5.61 40.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.991 0.424 . . . . 25.0 111.315 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -80.06 165.44 22.52 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.266 0.555 . . . . 25.0 110.103 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -81.57 47.35 3.62 Favored Glycine 0 CA--C 1.521 0.429 0 CA-C-N 116.491 -0.322 . . . . 25.0 112.733 178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -74.41 95.15 2.66 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 123.305 0.642 . . . . 25.0 111.088 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -79.63 138.46 37.42 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -132.53 24.34 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.966 0.888 . . . . 25.0 109.331 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -63.81 -28.05 69.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.458 -1.246 . . . . 25.0 110.554 -177.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 32.8 m-20 -114.71 35.21 4.37 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.776 -0.647 . . . . 25.0 110.557 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -111.27 45.9 1.14 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.369 0.877 . . . . 25.0 113.369 -174.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -66.86 139.45 95.7 Favored Pre-proline 0 CA--C 1.542 0.658 0 C-N-CA 120.718 -0.393 . . . . 25.0 110.776 178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -76.77 90.66 1.21 Allowed 'Trans proline' 0 CA--C 1.539 0.74 0 N-CA-C 114.381 0.877 . . . . 25.0 114.381 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -74.46 59.44 2.43 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 114.999 0.759 . . . . 25.0 114.999 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 58.1 t -70.71 131.71 34.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.163 -0.681 . . . . 25.0 109.163 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 32.4 t -148.73 165.85 30.15 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.994 -1.113 . . . . 25.0 107.994 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -158.2 167.28 34.39 Favored Glycine 0 C--O 1.224 -0.477 0 N-CA-C 109.614 -1.395 . . . . 25.0 109.614 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 61.7 -10.77 0.07 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 116.435 2.013 . . . . 25.0 116.435 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.1 t -73.02 9.06 1.29 Allowed 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 114.152 1.167 . . . . 25.0 114.152 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -139.46 139.97 37.16 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 43.2 t60 -104.64 -75.11 0.63 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -61.02 -29.15 69.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.38 0.61 . . . . 25.0 111.567 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.57 -33.74 67.68 Favored Glycine 0 C--O 1.224 -0.502 0 CA-C-N 115.41 -0.814 . . . . 25.0 112.328 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -63.32 -40.88 98.55 Favored 'General case' 0 C--O 1.213 -0.846 0 O-C-N 122.041 -0.682 . . . . 25.0 110.708 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 35.7 mmt180 -66.34 -34.78 78.75 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.149 -0.62 . . . . 25.0 109.828 -178.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.17 83.86 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.928 -0.397 . . . . 25.0 109.928 177.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.79 -37.27 85.84 Favored 'General case' 0 C--O 1.214 -0.783 0 C-N-CA 120.869 -0.333 . . . . 25.0 110.593 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.91 -32.39 72.78 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 121.725 -0.609 . . . . 25.0 111.004 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.07 -47.04 76.48 Favored Glycine 0 C--O 1.22 -0.726 0 N-CA-C 107.968 -2.053 . . . . 25.0 107.968 176.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.37 -39.03 63.89 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.994 0.426 . . . . 25.0 112.137 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -67.44 -42.29 83.38 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.11 0.481 . . . . 25.0 111.893 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.96 -43.18 72.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.191 0.52 . . . . 25.0 111.265 -177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 23.0 m -67.95 -26.7 35.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 CA-C-N 116.187 -0.46 . . . . 25.0 111.136 -178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -51.25 -38.07 50.57 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.1 -36.75 85.03 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 120.955 0.407 . . . . 25.0 110.752 177.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -31.8 65.3 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 122.214 -0.304 . . . . 25.0 110.259 176.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.459 ' HA ' HG12 ' A' ' 476' ' ' VAL . 60.8 mm-40 -71.23 -46.13 61.75 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 122.178 -0.326 . . . . 25.0 111.682 -177.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -61.32 -29.84 70.13 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 108.696 -0.853 . . . . 25.0 108.696 177.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.06 -51.37 21.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.119 -0.492 . . . . 25.0 110.497 179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.8 p -64.58 -35.62 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 -176.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -63.59 -36.81 85.02 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.726 -0.67 . . . . 25.0 110.284 177.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.56 83.18 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 -179.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.41 -34.5 66.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.88 -30.19 68.84 Favored 'General case' 0 C--O 1.216 -0.71 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -78.73 -42.8 27.28 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 120.811 0.339 . . . . 25.0 110.958 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 30.6 mtm -58.25 -24.95 61.02 Favored 'General case' 0 CA--C 1.506 -0.748 0 CA-C-O 121.168 0.509 . . . . 25.0 111.709 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 42.6 p -82.3 -20.17 37.96 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 119.439 -0.904 . . . . 25.0 110.994 -177.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -89.29 -35.15 16.3 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 108.412 -0.958 . . . . 25.0 108.412 176.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -64.29 -23.53 67.33 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.703 -1.221 . . . . 25.0 107.703 173.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -76.3 -2.99 75.56 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 116.124 -0.489 . . . . 25.0 112.213 178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 41.7 mmt180 -125.55 8.44 7.68 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.16 0.584 . . . . 25.0 109.775 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -73.83 153.86 39.74 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 -178.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -81.57 8.68 58.36 Favored Glycine 0 C--O 1.228 -0.237 0 CA-C-O 121.906 0.726 . . . . 25.0 113.046 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 12.1 p . . . . . 0 C--O 1.212 -0.911 0 CA-C-O 123.743 1.735 . . . . 25.0 112.008 -178.594 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 CA-C-O 121.896 0.72 . . . . 25.0 112.833 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 24.1 p 63.64 -174.14 0.16 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.531 1.533 . . . . 25.0 111.305 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 57.2 ttt180 55.64 44.56 26.32 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.71 0.767 . . . . 25.0 110.365 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 91.7 p -147.3 167.74 23.53 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.413 -1.329 . . . . 25.0 107.413 -178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -74.04 163.73 27.52 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.242 -1.022 . . . . 25.0 108.242 176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 67.5 p -99.25 154.98 17.74 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.146 -1.427 . . . . 25.0 107.146 175.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.7 -13.3 60.31 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.414 -0.812 . . . . 25.0 111.436 -175.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -69.25 -42.11 76.62 Favored Glycine 0 C--O 1.221 -0.687 0 N-CA-C 109.209 -1.556 . . . . 25.0 109.209 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -62.85 -38.96 92.89 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 109.11 -0.7 . . . . 25.0 109.11 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 57.6 t -67.29 -34.51 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.562 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.9 m -66.48 -43.84 84.32 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.171 -0.33 . . . . 25.0 110.969 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -71.92 -34.24 68.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.03 0.443 . . . . 25.0 109.928 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttp -64.83 -39.14 93.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.115 179.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -69.74 -35.12 74.7 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.103 0.478 . . . . 25.0 110.307 179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -66.51 -46.49 76.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.3 -0.409 . . . . 25.0 111.268 -178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.2 p -69.48 -36.79 73.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 121.002 -0.279 . . . . 25.0 110.473 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -58.1 -47.17 84.04 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 109.792 -0.447 . . . . 25.0 109.792 177.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.97 -39.76 90.83 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.183 -0.323 . . . . 25.0 110.905 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.86 -47.34 72.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.182 -0.463 . . . . 25.0 111.847 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.92 -31.17 67.72 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 119.75 -0.78 . . . . 25.0 110.412 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 18.7 mt -61.8 -44.67 96.41 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.083 -0.247 . . . . 25.0 110.415 178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -73.74 -37.83 64.95 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.558 -0.857 . . . . 25.0 111.596 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 60.3 mtm -61.26 -40.76 95.29 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 121.957 -0.465 . . . . 25.0 111.409 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 64.8 m -56.76 -35.65 68.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.254 0.549 . . . . 25.0 111.504 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -68.63 -47.57 66.28 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 121.74 -0.6 . . . . 25.0 109.876 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -39.34 94.31 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.607 -0.886 . . . . 25.0 108.607 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.37 -49.21 84.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.447 -0.797 . . . . 25.0 110.654 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.32 -42.64 99.01 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 122.044 -0.41 . . . . 25.0 111.303 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -69.99 -19.23 63.35 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.156 0.428 . . . . 25.0 112.156 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.21 -1.93 28.81 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 120.568 0.223 . . . . 25.0 111.016 176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 101.14 14.55 30.58 Favored Glycine 0 C--O 1.228 -0.233 0 C-N-CA 121.544 -0.36 . . . . 25.0 113.924 178.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -79.92 73.71 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.477 0.656 . . . . 25.0 111.189 178.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -147.04 157.07 43.5 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.144 -176.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -93.86 17.82 11.45 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.917 -0.583 . . . . 25.0 110.088 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 24.2 t0 65.97 -47.2 0.41 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.972 2.109 . . . . 25.0 112.407 -171.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -79.76 47.78 0.89 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.824 1.25 . . . . 25.0 108.145 172.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -109.29 50.83 0.77 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.84 -1.073 . . . . 25.0 108.328 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.28 146.94 97.52 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.668 -0.696 . . . . 25.0 110.348 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -77.23 172.6 15.75 Favored 'Trans proline' 0 C--N 1.345 0.367 0 CA-C-O 121.275 0.448 . . . . 25.0 111.455 178.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -84.62 -170.94 47.62 Favored Glycine 0 N--CA 1.431 -1.688 0 CA-C-O 124.094 1.941 . . . . 25.0 110.111 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.2 87.12 2.42 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.209 0 CA-C-N 112.317 -1.941 . . . . 25.0 110.784 -175.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 6.1 t 57.4 -147.66 0.51 Allowed 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 115.143 -0.935 . . . . 25.0 111.802 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -139.03 -152.1 5.85 Favored Glycine 0 N--CA 1.453 -0.233 0 N-CA-C 109.982 -1.247 . . . . 25.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -56.23 136.21 53.08 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.14 0.495 . . . . 25.0 110.082 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.6 m -73.5 85.6 1.54 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.937 -0.574 . . . . 25.0 112.006 -178.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 68.82 165.99 0.26 Allowed 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 125.365 1.466 . . . . 25.0 112.263 -179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -105.89 -76.76 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.532 0.682 . . . . 25.0 110.357 177.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.6 m-90 -66.3 -28.31 68.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.279 0.561 . . . . 25.0 112.013 -177.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.42 -33.7 82.22 Favored Glycine 0 C--O 1.223 -0.542 0 CA-C-N 115.591 -0.732 . . . . 25.0 111.976 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -64.57 -46.76 81.34 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 122.331 -0.511 . . . . 25.0 110.333 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -66.59 -35.18 79.57 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.606 -0.438 . . . . 25.0 109.975 -178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.91 92.52 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.366 -0.379 . . . . 25.0 110.201 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -37.21 84.28 Favored 'General case' 0 C--O 1.214 -0.812 0 C-N-CA 120.739 -0.384 . . . . 25.0 110.353 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -59.66 -34.76 73.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 118.854 0.752 . . . . 25.0 110.721 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.68 -48.62 54.99 Favored Glycine 0 C--O 1.216 -0.999 0 N-CA-C 108.343 -1.903 . . . . 25.0 108.343 176.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.78 -37.06 65.57 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.323 0.49 . . . . 25.0 112.323 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -71.04 -43.38 67.99 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.176 0.513 . . . . 25.0 110.812 178.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.92 92.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.986 0.422 . . . . 25.0 110.189 -178.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.4 m -69.8 -31.45 48.38 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.171 0 C-N-CA 120.43 -0.508 . . . . 25.0 109.825 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.05 -34.8 72.34 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.704 0.684 . . . . 25.0 110.566 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.54 84.62 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.839 -0.43 . . . . 25.0 109.839 177.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.73 67.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.52 0.2 . . . . 25.0 111.404 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 44.0 mm-40 -69.53 -44.56 70.75 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.183 0.516 . . . . 25.0 111.11 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 49.7 ptt85 -65.83 -28.14 68.77 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.166 -0.679 . . . . 25.0 109.166 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.61 -51.57 27.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.67 -0.695 . . . . 25.0 110.608 177.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 11.8 p -62.83 -35.96 73.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 118.555 0.616 . . . . 25.0 109.432 -176.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -62.87 -35.82 81.25 Favored 'General case' 0 N--CA 1.44 -0.95 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.745 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.77 90.84 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.797 -0.361 . . . . 25.0 110.372 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -69.66 -35.3 65.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -178.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.36 -26.97 63.75 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 109.861 -0.422 . . . . 25.0 109.861 179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.0 mt -81.32 -42.38 20.67 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 121.028 0.442 . . . . 25.0 111.146 175.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 40.7 mtm -59.36 -24.76 63.67 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-N 115.857 -0.611 . . . . 25.0 111.58 -178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 40.1 p -78.83 -27.38 44.28 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 119.549 -0.86 . . . . 25.0 110.174 -177.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -81.68 -36.66 28.48 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -65.86 -22.5 66.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 107.979 -1.119 . . . . 25.0 107.979 173.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -96.0 6.65 66.84 Favored Glycine 0 C--O 1.229 -0.201 0 CA-C-N 115.578 -0.737 . . . . 25.0 111.476 179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 45.9 39.55 5.64 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.882 1.273 . . . . 25.0 113.408 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -114.55 167.47 10.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.638 -0.71 . . . . 25.0 109.384 -179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -175.31 -50.16 0.06 OUTLIER Glycine 0 C--O 1.222 -0.634 0 N-CA-C 111.439 -0.664 . . . . 25.0 111.439 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 124.847 2.261 . . . . 25.0 112.879 179.452 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.126 0 CA-C-O 123.89 1.828 . . . . 25.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 41.0 m 71.41 149.99 0.09 Allowed 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 111.14 -2.53 . . . . 25.0 112.034 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 38.3 ptt180 -90.07 -3.27 58.04 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.999 -0.438 . . . . 25.0 112.168 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 40.4 p -160.82 157.24 26.41 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.8 -1.185 . . . . 25.0 107.8 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -155.37 160.74 40.93 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.859 -1.904 . . . . 25.0 105.859 177.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 58.5 m -89.48 119.66 30.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.849 0.833 . . . . 25.0 110.062 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -62.36 -36.69 83.03 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.704 -1.134 . . . . 25.0 112.78 -176.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.74 -35.88 91.56 Favored Glycine 0 C--O 1.222 -0.617 0 C-N-CA 120.725 -0.75 . . . . 25.0 113.022 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -64.27 -40.03 95.15 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 108.463 -0.94 . . . . 25.0 108.463 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 96.0 t -70.56 -32.65 50.42 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-N 115.773 -0.648 . . . . 25.0 110.284 -179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.2 m -66.48 -37.65 85.57 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.806 -0.559 . . . . 25.0 111.837 177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.19 -36.48 61.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.08 0.943 . . . . 25.0 108.832 178.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 19.0 ttp -66.31 -26.7 67.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.642 -0.708 . . . . 25.0 110.279 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.69 -31.7 71.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.077 -0.39 . . . . 25.0 110.579 177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.43 80.23 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.255 -1.017 . . . . 25.0 108.255 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.3 t -65.48 -45.42 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -57.78 -44.91 86.57 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.699 0.285 . . . . 25.0 110.335 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.2 91.92 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 121.036 -0.266 . . . . 25.0 110.554 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.23 82.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 25.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -63.87 -42.95 97.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.404 0.621 . . . . 25.0 109.734 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 66.5 mt -62.35 -41.32 98.5 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.803 -179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -74.64 -33.68 62.6 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 119.102 -1.039 . . . . 25.0 112.021 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 67.7 mtm -66.4 -33.03 74.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 118.42 0.555 . . . . 25.0 109.921 177.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 88.8 m -57.47 -35.7 70.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.681 -0.488 . . . . 25.0 109.681 176.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -67.22 -43.38 82.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.456 -0.777 . . . . 25.0 109.637 178.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -64.05 -41.65 97.3 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 -177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 22.1 m -69.1 -31.38 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.536 -0.466 . . . . 25.0 111.942 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.08 -36.79 72.38 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 175.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -73.65 -10.66 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.96 0.356 . . . . 25.0 111.96 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -72.15 -9.71 58.8 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 120.804 0.335 . . . . 25.0 110.804 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 105.28 -53.88 0.64 Allowed Glycine 0 C--O 1.23 -0.134 0 N-CA-C 115.312 0.885 . . . . 25.0 115.312 175.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -160.52 163.94 32.45 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 107.686 -1.227 . . . . 25.0 107.686 -177.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -76.63 143.74 39.96 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 104.827 -2.286 . . . . 25.0 104.827 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -132.22 50.85 2.2 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 106.068 -1.827 . . . . 25.0 106.068 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -56.43 -36.25 68.76 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.701 -1.136 . . . . 25.0 110.224 -176.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -148.23 35.65 0.82 Allowed 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 105.813 -1.921 . . . . 25.0 105.813 171.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 49.18 32.22 4.07 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.183 -1.371 . . . . 25.0 113.57 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.74 139.96 96.08 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -177.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.1 158.47 41.81 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 117.758 -1.028 . . . . 25.0 110.715 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -76.05 74.16 1.66 Allowed Glycine 0 CA--C 1.522 0.508 0 N-CA-C 115.199 0.839 . . . . 25.0 115.199 -177.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 49.0 t -85.03 127.17 40.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.323 0.582 . . . . 25.0 110.352 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 37.2 p -69.56 134.91 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 85.99 23.12 46.6 Favored Glycine 0 C--O 1.222 -0.655 0 C-N-CA 120.651 -0.785 . . . . 25.0 114.204 179.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -55.33 -22.72 20.32 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.339 1.237 . . . . 25.0 114.339 179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.5 t 53.39 45.0 29.25 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.205 1.557 . . . . 25.0 115.205 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -56.97 139.33 52.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.661 -0.496 . . . . 25.0 109.661 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -105.27 -49.58 3.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.991 0.424 . . . . 25.0 110.24 173.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -61.42 -40.22 93.64 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.94 -31.01 74.75 Favored Glycine 0 C--O 1.22 -0.749 0 CA-C-N 115.382 -0.826 . . . . 25.0 112.187 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -70.62 -35.53 73.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.044 -0.68 . . . . 25.0 109.616 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -69.87 -35.33 74.6 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -69.03 -47.0 66.51 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.574 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.62 -35.2 79.61 Favored 'General case' 0 C--O 1.215 -0.753 0 C-N-CA 120.339 -0.544 . . . . 25.0 111.668 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -64.68 -26.22 68.29 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 119.592 -0.843 . . . . 25.0 110.997 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -76.19 -42.7 23.15 Favored Glycine 0 C--O 1.223 -0.581 0 N-CA-C 108.284 -1.926 . . . . 25.0 108.284 173.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.04 -39.13 71.53 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.197 0.522 . . . . 25.0 111.731 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -63.6 -41.86 98.29 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.046 0.451 . . . . 25.0 110.911 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.73 65.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.348 -0.387 . . . . 25.0 111.162 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.1 m -68.93 -26.57 32.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.115 0 C-N-CA 120.732 -0.387 . . . . 25.0 110.909 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.78 -29.01 64.49 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.295 0.498 . . . . 25.0 111.719 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -66.26 -33.06 74.9 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.648 -0.501 . . . . 25.0 109.648 176.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.73 -38.02 67.57 Favored 'General case' 0 C--O 1.218 -0.574 0 N-CA-C 109.708 -0.478 . . . . 25.0 109.708 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.495 ' HA ' HG12 ' A' ' 476' ' ' VAL . 13.3 mt-30 -69.63 -45.42 68.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.287 0.565 . . . . 25.0 112.245 -175.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -62.69 -26.1 68.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 121.606 -0.684 . . . . 25.0 109.637 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -76.28 -50.14 15.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.811 -0.631 . . . . 25.0 110.762 178.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.495 HG12 ' HA ' ' A' ' 473' ' ' GLN . 9.2 p -63.8 -38.7 83.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 N-CA-C 108.982 -0.748 . . . . 25.0 108.982 -177.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.1 t-160 -62.68 -34.22 76.68 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 116.253 -0.431 . . . . 25.0 110.283 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.56 99.72 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 121.688 -0.633 . . . . 25.0 110.019 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 476' ' ' VAL . 3.9 mt -71.92 -33.6 48.27 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.724 0 N-CA-C 109.563 -0.532 . . . . 25.0 109.563 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.55 -26.93 62.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.587 0.708 . . . . 25.0 109.841 178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.7 mt -80.6 -41.92 23.15 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.477 0.656 . . . . 25.0 109.728 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.2 mtm -63.65 -26.63 68.76 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-N 116.259 -0.428 . . . . 25.0 111.771 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 34.2 p -75.5 -37.3 60.24 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 119.507 -0.877 . . . . 25.0 109.593 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -80.23 -34.89 36.87 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.852 178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -71.67 -31.07 66.41 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.875 -0.516 . . . . 25.0 109.916 178.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -84.63 10.5 61.89 Favored Glycine 0 C--O 1.227 -0.325 0 CA-C-N 116.43 -0.35 . . . . 25.0 112.869 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 54.49 32.39 16.67 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 178.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -102.18 -155.68 0.53 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 107.897 -1.149 . . . . 25.0 107.897 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 141.13 -33.92 1.97 Allowed Glycine 0 C--O 1.22 -0.776 0 CA-C-O 122.308 0.949 . . . . 25.0 111.585 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.21 -0.989 0 CA-C-O 124.124 1.916 . . . . 25.0 111.425 178.768 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 122.36 0.978 . . . . 25.0 112.199 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -16.83 52.85 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.279 -1.13 . . . . 25.0 112.771 -179.26 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 34.8 ptt180 -62.99 -6.25 3.72 Favored 'General case' 0 C--O 1.21 -0.995 0 N-CA-C 113.575 0.954 . . . . 25.0 113.575 178.756 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 87.4 p -80.2 2.84 22.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.961 -0.462 . . . . 25.0 110.018 176.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -153.58 -70.01 0.14 Allowed 'General case' 0 C--O 1.219 -0.501 0 N-CA-C 112.423 0.527 . . . . 25.0 112.423 -179.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 5.5 m 47.19 12.93 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 118.162 2.653 . . . . 25.0 118.162 -177.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 63.94 -56.99 0.22 Allowed 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.805 1.642 . . . . 25.0 114.838 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.04 -36.89 73.05 Favored Glycine 0 C--O 1.223 -0.538 0 C-N-CA 121.039 -0.601 . . . . 25.0 112.38 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -66.17 -26.72 67.55 Favored 'General case' 0 C--O 1.22 -0.487 0 N-CA-C 109.79 -0.448 . . . . 25.0 109.79 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 27.5 t -66.26 -35.9 76.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 109.983 -0.377 . . . . 25.0 109.983 178.336 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 46.0 m -67.37 -40.45 85.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.855 0.359 . . . . 25.0 110.825 179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -71.58 -33.68 69.26 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.109 -0.7 . . . . 25.0 109.109 179.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 37.0 ttp -66.12 -38.52 88.39 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.532 -0.544 . . . . 25.0 109.532 178.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.38 -33.71 75.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.012 0.434 . . . . 25.0 110.642 177.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.77 -45.99 66.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.835 0.35 . . . . 25.0 111.122 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.3 p -71.16 -31.25 43.84 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 CA-C-O 120.621 0.248 . . . . 25.0 110.861 -178.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -53.27 -43.18 67.23 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-O 120.765 0.317 . . . . 25.0 110.691 176.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.1 87.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.044 0.45 . . . . 25.0 110.698 -179.655 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -71.53 -41.73 68.8 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.094 -0.503 . . . . 25.0 110.318 179.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.14 -41.07 97.91 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.735 0.779 . . . . 25.0 109.671 -179.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 45.6 mt -60.04 -45.59 92.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.482 -0.781 . . . . 25.0 111.587 178.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -73.71 -32.15 63.76 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.848 -0.741 . . . . 25.0 111.381 178.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.5 tpp -60.34 -41.18 93.08 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.753 -0.832 . . . . 25.0 108.753 176.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 47.9 m -61.22 -37.43 82.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.369 -0.378 . . . . 25.0 110.297 178.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 28.9 mmt85 -67.61 -43.04 81.38 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 177.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -61.35 -45.4 94.58 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.845 0.683 . . . . 25.0 112.845 -178.001 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.1 m -67.5 -35.3 72.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 112.178 0.436 . . . . 25.0 112.178 -178.678 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 77.5 mt -68.19 -37.54 81.04 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.596 0.236 . . . . 25.0 110.366 178.142 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 64.5 m170 -70.69 -30.06 66.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.81 0.338 . . . . 25.0 110.392 178.685 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -84.77 14.64 4.54 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 -179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -71.14 96.2 0.61 Allowed Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.099 -0.572 . . . . 25.0 113.029 -179.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -139.53 -174.26 3.84 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 107.583 -1.265 . . . . 25.0 107.583 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.76 155.66 33.0 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.925 -1.034 . . . . 25.0 110.132 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -145.19 25.18 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 179.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -78.33 -29.7 47.8 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.834 -175.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -82.14 22.44 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.428 -0.806 . . . . 25.0 112.894 -177.879 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -101.28 23.09 11.44 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.908 0.707 . . . . 25.0 112.908 -175.392 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -66.9 143.3 97.93 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-O 121.057 0.456 . . . . 25.0 111.803 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.56 120.89 6.07 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 N-CA-C 115.985 1.494 . . . . 25.0 115.985 -177.07 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -95.36 93.76 1.64 Allowed Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.145 -0.934 . . . . 25.0 113.512 178.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 57.7 t -77.52 130.61 36.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.018 -0.734 . . . . 25.0 109.018 178.772 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 75.0 p -148.41 170.85 17.07 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.865 -0.42 . . . . 25.0 109.865 -178.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -72.47 131.69 17.15 Favored Glycine 0 C--O 1.226 -0.387 0 C-N-CA 120.837 -0.697 . . . . 25.0 111.547 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -56.16 -37.96 70.25 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.666 0.987 . . . . 25.0 113.666 -177.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m 50.61 -147.42 0.38 Allowed 'General case' 0 CA--C 1.541 0.605 0 O-C-N 123.461 0.475 . . . . 25.0 111.432 178.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 62.4 165.47 0.11 Allowed 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 116.951 2.204 . . . . 25.0 116.951 175.198 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -105.88 -76.76 0.6 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.174 -1.376 . . . . 25.0 109.919 176.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -64.18 -29.78 70.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.402 0.62 . . . . 25.0 111.436 -179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.21 -32.62 72.22 Favored Glycine 0 C--O 1.22 -0.724 0 CA-C-N 115.482 -0.781 . . . . 25.0 112.362 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -64.59 -34.99 79.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.196 -0.591 . . . . 25.0 111.328 -179.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -73.6 -31.81 63.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.048 0.451 . . . . 25.0 110.019 -179.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.26 -46.35 56.28 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 177.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.62 -35.11 78.32 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 119.451 -0.309 . . . . 25.0 111.453 -178.024 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -64.97 -27.61 68.95 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 119.246 -0.982 . . . . 25.0 110.739 178.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.77 -45.79 50.14 Favored Glycine 0 C--O 1.218 -0.881 0 N-CA-C 107.167 -2.373 . . . . 25.0 107.167 174.182 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.04 -39.27 68.98 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.761 0.315 . . . . 25.0 111.408 179.048 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -66.75 -42.67 85.8 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.004 0.431 . . . . 25.0 111.501 178.669 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.68 82.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.121 0.486 . . . . 25.0 110.301 -178.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.64 -26.5 28.5 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.464 -0.335 . . . . 25.0 110.632 -179.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.1 64.82 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 117.924 0.329 . . . . 25.0 111.758 -178.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.39 94.35 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.736 -0.468 . . . . 25.0 109.736 177.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -33.55 66.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.711 0.291 . . . . 25.0 110.623 177.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.414 ' HA ' HG12 ' A' ' 476' ' ' VAL . 82.0 mm-40 -70.11 -45.83 66.11 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.04 0.447 . . . . 25.0 111.573 -179.051 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -64.29 -27.03 68.75 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.12 -0.632 . . . . 25.0 109.436 177.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.62 -51.44 23.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.969 -0.56 . . . . 25.0 110.342 177.291 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.414 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.1 p -63.69 -36.55 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 109.08 -0.711 . . . . 25.0 109.08 -177.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -64.25 -35.02 79.47 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 116.002 -0.544 . . . . 25.0 110.333 177.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.37 -44.16 92.78 Favored 'General case' 0 C--O 1.223 -0.34 0 O-C-N 121.923 -0.486 . . . . 25.0 110.351 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -71.58 -32.86 47.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.428 -0.582 . . . . 25.0 109.428 -179.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.54 -27.49 67.69 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 178.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.2 mt -79.15 -44.15 22.54 Favored 'General case' 0 C--O 1.205 -1.268 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 177.084 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 43.8 mtm -60.48 -29.49 69.1 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.12 0.486 . . . . 25.0 111.53 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 21.5 p -80.5 -32.64 36.9 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 119.918 -0.713 . . . . 25.0 110.647 -176.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -81.37 -29.44 34.02 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 119.877 -0.729 . . . . 25.0 110.109 175.13 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -67.96 -38.39 82.71 Favored 'General case' 0 C--O 1.222 -0.382 0 O-C-N 121.704 -0.623 . . . . 25.0 109.772 178.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -70.6 -8.57 63.48 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 115.346 0.899 . . . . 25.0 115.346 -178.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -120.79 -1.27 9.99 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 117.368 0.584 . . . . 25.0 111.813 179.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -78.45 140.67 38.62 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.89 0.376 . . . . 25.0 110.586 -178.158 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -115.85 14.27 17.05 Favored Glycine 0 C--O 1.225 -0.431 0 N-CA-C 110.268 -1.133 . . . . 25.0 110.268 176.662 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 124.03 1.872 . . . . 25.0 113.099 -177.139 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.023 0 CA-C-O 124.165 1.981 . . . . 25.0 113.095 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 16.8 m -63.95 146.09 54.69 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 114.206 -0.997 . . . . 25.0 110.39 179.468 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -143.79 157.36 44.44 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 106.972 -1.492 . . . . 25.0 106.972 -178.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 14.7 m -67.33 159.44 29.31 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.165 -0.309 . . . . 25.0 110.165 177.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -62.15 156.6 21.3 Favored 'General case' 0 C--O 1.24 0.587 0 N-CA-C 108.642 -0.873 . . . . 25.0 108.642 176.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 15.4 m -83.52 140.73 32.1 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 122.051 0.929 . . . . 25.0 108.568 179.434 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.13 -18.63 61.27 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.175 -0.921 . . . . 25.0 109.565 -178.042 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.04 -37.73 92.1 Favored Glycine 0 C--O 1.213 -1.175 0 N-CA-C 110.098 -1.201 . . . . 25.0 110.098 175.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -62.91 -38.8 92.39 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 108.669 -0.863 . . . . 25.0 108.669 179.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.12 -35.04 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.123 -0.49 . . . . 25.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 12.0 t -69.06 -40.45 78.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.867 0.365 . . . . 25.0 110.2 178.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -67.23 -35.27 79.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.32 -0.993 . . . . 25.0 108.32 178.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.04 -36.8 84.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.21 -0.45 . . . . 25.0 110.577 179.01 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.56 -30.22 69.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.792 -0.448 . . . . 25.0 109.792 -179.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.98 -36.64 80.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 177.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 64.7 t -66.16 -45.29 90.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 177.608 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -58.79 -42.42 89.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 25.0 110.161 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.69 90.8 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.25 -0.281 . . . . 25.0 111.441 178.881 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.6 92.04 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.137 -0.32 . . . . 25.0 110.137 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -60.59 -45.76 92.79 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 179.312 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.74 -44.38 93.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.731 -0.668 . . . . 25.0 112.38 -179.37 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -73.81 -35.22 64.85 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 119.532 -0.867 . . . . 25.0 111.871 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.28 -39.55 92.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 118.413 0.551 . . . . 25.0 110.186 178.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 95.0 m -53.14 -32.94 50.25 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.297 0.57 . . . . 25.0 111.294 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -62.03 -48.72 79.01 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.027 0.442 . . . . 25.0 111.032 -178.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -72.49 -40.18 67.09 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 179.309 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -57.16 -44.53 83.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.249 -0.887 . . . . 25.0 112.969 -178.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 55.1 mt -61.28 -38.25 86.08 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -178.36 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -76.31 -18.69 58.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 178.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -87.5 -30.26 20.74 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.652 0.263 . . . . 25.0 110.935 178.829 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 145.37 -126.67 2.64 Favored Glycine 0 C--O 1.228 -0.223 0 N-CA-C 110.978 -0.849 . . . . 25.0 110.978 -178.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -151.04 136.62 17.89 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 107.685 -1.228 . . . . 25.0 107.685 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 52.57 -173.39 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.786 0 N-CA-C 117.014 2.228 . . . . 25.0 117.014 -179.102 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -135.08 29.7 3.38 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 103.676 -2.713 . . . . 25.0 103.676 177.441 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 26.6 t70 69.46 -58.61 0.51 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.174 1.79 . . . . 25.0 113.155 -173.048 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -80.57 14.17 2.19 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.517 0.932 . . . . 25.0 113.517 -178.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -95.65 51.71 1.3 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.138 -0.937 . . . . 25.0 110.832 -174.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -68.43 140.54 92.62 Favored Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 106.929 -1.508 . . . . 25.0 106.929 174.434 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -77.39 166.12 26.51 Favored 'Trans proline' 0 C--N 1.344 0.309 0 CA-C-O 121.722 0.634 . . . . 25.0 113.469 -177.568 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -158.38 -156.26 7.92 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.116 -1.194 . . . . 25.0 110.116 -179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 45.4 t -71.92 -25.85 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 N-CA-C 110.009 -0.367 . . . . 25.0 110.009 179.377 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 38.4 m 57.0 25.38 10.62 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.837 1.051 . . . . 25.0 113.837 -179.472 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -165.83 157.69 30.26 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 109.651 -1.38 . . . . 25.0 109.651 177.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -80.93 -25.83 37.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.505 0.669 . . . . 25.0 110.198 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 70.7 p -74.43 146.36 42.94 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -63.98 151.91 41.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 106.654 -1.61 . . . . 25.0 106.654 175.792 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -105.76 -74.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.549 0.574 . . . . 25.0 112.549 178.425 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -60.12 -30.84 69.54 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.967 1.099 . . . . 25.0 113.967 -174.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -64.12 -35.94 92.62 Favored Glycine 0 C--O 1.226 -0.346 0 N-CA-C 110.655 -0.978 . . . . 25.0 110.655 177.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -73.31 -38.6 65.77 Favored 'General case' 0 CA--C 1.51 -0.567 0 O-C-N 122.295 -0.532 . . . . 25.0 110.189 179.366 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -61.57 -36.73 81.48 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 178.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.13 -48.53 43.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.111 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.2 -36.97 82.84 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.399 -0.52 . . . . 25.0 111.406 -178.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -70.55 -28.23 64.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.621 -0.674 . . . . 25.0 109.335 178.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.86 -46.24 68.55 Favored Glycine 0 C--O 1.216 -1.014 0 N-CA-C 107.729 -2.148 . . . . 25.0 107.729 175.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.18 -36.72 66.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 117.02 0.41 . . . . 25.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -71.98 -41.51 67.57 Favored 'General case' 0 N--CA 1.427 -1.586 0 N-CA-C 113.284 0.846 . . . . 25.0 113.284 179.186 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.05 81.54 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.349 -0.841 . . . . 25.0 111.241 178.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.1 m -67.71 -26.59 35.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 116.224 -0.443 . . . . 25.0 110.532 -179.626 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.82 -32.29 65.58 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.156 0.434 . . . . 25.0 110.961 179.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.82 -38.27 88.49 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 109.754 -0.462 . . . . 25.0 109.754 177.271 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -32.76 66.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.622 -0.263 . . . . 25.0 110.536 177.27 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.447 ' HA ' HG12 ' A' ' 476' ' ' VAL . 57.0 mm-40 -69.56 -46.45 66.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.072 -0.392 . . . . 25.0 111.664 -179.661 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -63.6 -27.52 69.3 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 109.062 -0.718 . . . . 25.0 109.062 178.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.57 -52.5 15.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.793 -0.64 . . . . 25.0 110.756 177.224 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -63.35 -36.0 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 118.675 0.671 . . . . 25.0 109.556 -176.057 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -63.29 -35.34 80.02 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 116.009 -0.542 . . . . 25.0 110.344 178.291 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.67 -44.4 96.51 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.116 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -70.7 -34.73 57.86 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.657 0 N-CA-C 109.662 -0.495 . . . . 25.0 109.662 -179.45 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.05 -26.97 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.261 0.553 . . . . 25.0 109.904 178.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.6 mt -80.05 -43.51 21.73 Favored 'General case' 0 C--O 1.214 -0.788 0 N-CA-C 109.681 -0.489 . . . . 25.0 109.681 176.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.8 mtm -61.2 -28.57 69.24 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.088 0.471 . . . . 25.0 111.571 -179.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.6 p -77.25 -15.23 59.55 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.12 -0.632 . . . . 25.0 111.904 -175.2 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -107.03 -36.82 6.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.097 0.248 . . . . 25.0 110.907 174.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -65.98 -30.05 70.54 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.025 -0.422 . . . . 25.0 110.875 179.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -62.35 -15.27 51.5 Favored Glycine 0 C--O 1.223 -0.533 0 C-N-CA 121.2 -0.524 . . . . 25.0 113.778 178.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 87.3 mtm-85 -132.2 26.57 4.52 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.439 0.619 . . . . 25.0 109.999 177.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -76.4 -18.26 58.94 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.694 0.257 . . . . 25.0 111.694 -178.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 80.76 -48.88 3.8 Favored Glycine 0 C--O 1.224 -0.522 0 CA-C-O 121.554 0.53 . . . . 25.0 112.559 -179.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--O 1.212 -0.891 0 CA-C-O 124.28 1.991 . . . . 25.0 111.358 178.117 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.649 0 CA-C-O 124.118 1.955 . . . . 25.0 110.489 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 7.8 t 59.39 43.3 16.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 111.953 -2.124 . . . . 25.0 112.485 178.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -132.82 137.46 46.77 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 177.622 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 14.6 m 58.03 -170.63 0.11 Allowed 'General case' 0 N--CA 1.468 0.437 0 O-C-N 124.654 1.221 . . . . 25.0 113.285 179.207 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -159.71 169.93 22.63 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 104.081 -2.563 . . . . 25.0 104.081 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.401 ' HB3' ' HG2' ' A' ' 419' ' ' GLU . 18.8 t -108.16 144.28 35.78 Favored 'General case' 0 CA--C 1.507 -0.697 0 N-CA-C 107.331 -1.359 . . . . 25.0 107.331 175.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.06 -29.18 70.34 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.349 -1.296 . . . . 25.0 111.793 -176.351 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.49 -42.42 93.7 Favored Glycine 0 C--O 1.217 -0.921 0 N-CA-C 110.292 -1.123 . . . . 25.0 110.292 178.23 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.401 ' HG2' ' HB3' ' A' ' 416' ' ' SER . 42.0 mm-40 -62.69 -37.1 85.12 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 109.619 -0.512 . . . . 25.0 109.619 -178.904 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.2 t -69.94 -33.88 57.5 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.062 0.458 . . . . 25.0 110.28 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 46.7 m -67.17 -39.72 86.49 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 178.86 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -74.88 -29.68 61.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.202 178.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.3 ttm -60.55 -38.79 85.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.049 0.452 . . . . 25.0 109.902 178.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.13 -31.15 72.23 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.024 0.44 . . . . 25.0 110.673 179.542 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.43 -35.05 68.23 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 178.212 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 66.7 t -67.81 -43.3 86.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 178.059 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -58.77 -43.99 90.53 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.242 0.544 . . . . 25.0 109.688 178.244 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.52 94.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.824 -0.548 . . . . 25.0 110.506 178.835 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.25 87.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.268 -0.423 . . . . 25.0 111.874 -178.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -68.76 -33.3 73.67 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.724 -0.79 . . . . 25.0 110.27 -179.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 53.7 mt -65.99 -37.63 86.44 Favored 'General case' 0 C--O 1.24 0.605 0 O-C-N 122.031 -0.418 . . . . 25.0 111.062 178.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -77.67 -32.16 53.01 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 119.535 -0.866 . . . . 25.0 111.38 175.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 57.3 mtm -65.19 -31.48 72.68 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.455 -0.778 . . . . 25.0 110.227 177.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 86.2 m -55.42 -29.48 58.66 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.667 0.746 . . . . 25.0 110.329 177.01 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -69.24 -42.6 75.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.466 -0.771 . . . . 25.0 109.747 -179.288 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.24 -34.83 68.58 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.73 -0.47 . . . . 25.0 109.73 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.03 -40.25 80.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.737 -0.665 . . . . 25.0 109.844 177.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.9 mt -71.32 -13.63 61.94 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.983 0.735 . . . . 25.0 112.983 178.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 57.7 m170 -95.2 -8.3 36.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.788 0.328 . . . . 25.0 110.745 178.21 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -78.74 150.88 32.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 179.808 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -68.83 -49.82 39.79 Favored Glycine 0 C--O 1.229 -0.192 0 N-CA-C 109.332 -1.507 . . . . 25.0 109.332 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -173.38 166.82 4.76 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 103.863 -2.643 . . . . 25.0 103.863 175.585 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -157.8 165.09 36.21 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 104.117 -2.549 . . . . 25.0 104.117 178.011 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -141.13 26.06 2.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 118.133 0.424 . . . . 25.0 110.279 -176.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -60.15 -30.18 69.14 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.571 -0.741 . . . . 25.0 110.117 -176.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -142.49 39.18 1.55 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.304 -1.369 . . . . 25.0 107.304 176.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 48.06 43.88 18.51 Favored 'General case' 0 CA--C 1.546 0.826 0 CA-C-N 114.645 -1.161 . . . . 25.0 112.695 -179.217 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -67.6 153.22 95.37 Favored Pre-proline 0 C--N 1.321 -0.643 0 N-CA-C 116.775 2.139 . . . . 25.0 116.775 -173.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -78.17 171.71 16.63 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 121.188 1.258 . . . . 25.0 111.629 175.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -105.18 -70.27 0.78 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 117.706 1.843 . . . . 25.0 117.706 -178.159 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 18.6 t -82.9 90.94 2.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 121.357 -1.084 . . . . 25.0 113.378 -173.726 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 63.5 p -119.64 -7.06 10.14 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.509 0.559 . . . . 25.0 112.509 176.405 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -76.19 68.68 2.31 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 117.543 1.777 . . . . 25.0 117.543 -176.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -77.09 146.97 36.92 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 122.213 -0.581 . . . . 25.0 109.866 177.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 32.6 t -150.17 150.25 31.35 Favored 'General case' 0 C--O 1.238 0.488 0 O-C-N 122.304 -0.248 . . . . 25.0 110.912 178.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 63.19 145.11 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.856 1.662 . . . . 25.0 114.983 -179.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -110.71 -76.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.475 -0.784 . . . . 25.0 112.485 178.439 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -64.13 -31.84 73.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 122.172 0.987 . . . . 25.0 109.672 -179.386 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.62 -31.24 74.35 Favored Glycine 0 C--O 1.219 -0.794 0 CA-C-N 114.286 -1.325 . . . . 25.0 113.053 -179.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -63.45 -49.02 75.33 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 118.214 1.007 . . . . 25.0 110.171 -179.655 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -69.05 -36.35 77.59 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 119.975 -0.69 . . . . 25.0 110.072 -178.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.78 88.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.474 -0.33 . . . . 25.0 110.162 178.429 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.06 -38.89 86.61 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-O 119.218 -0.42 . . . . 25.0 110.94 -179.455 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -56.34 -40.24 74.13 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.125 0.875 . . . . 25.0 110.785 177.736 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.14 -49.74 38.3 Favored Glycine 0 C--O 1.219 -0.82 0 N-CA-C 109.594 -1.403 . . . . 25.0 109.594 177.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.02 -37.11 66.22 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.693 0.627 . . . . 25.0 112.693 -179.03 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -72.22 -42.94 65.16 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.997 -0.44 . . . . 25.0 110.31 179.879 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.42 91.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.07 0.462 . . . . 25.0 110.022 -178.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -70.67 -30.5 42.52 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.195 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.525 179.958 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.88 -35.89 71.63 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 118.885 0.766 . . . . 25.0 110.927 -179.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.46 -37.43 87.5 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.585 -0.524 . . . . 25.0 109.585 177.554 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.82 67.26 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.726 -0.215 . . . . 25.0 111.158 177.002 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.472 ' HA ' HG12 ' A' ' 476' ' ' VAL . 65.3 mm-40 -69.26 -45.66 69.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.723 -0.611 . . . . 25.0 112.334 -179.067 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -62.52 -27.2 68.99 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 178.519 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.6 tp -76.33 -51.8 11.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.681 177.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.5 p -63.05 -36.93 77.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 118.587 0.63 . . . . 25.0 110.016 -175.923 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -64.73 -34.16 77.68 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.437 178.438 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.7 -43.43 98.82 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.508 -0.477 . . . . 25.0 109.723 179.624 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . 0.422 HD12 ' HA ' ' A' ' 476' ' ' VAL . 4.0 mt -70.11 -35.8 65.27 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 109.643 -0.503 . . . . 25.0 109.643 -179.449 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.36 -27.0 61.89 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.443 0.64 . . . . 25.0 109.66 179.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.9 -42.41 21.46 Favored 'General case' 0 CA--C 1.511 -0.555 0 CA-C-O 121.112 0.482 . . . . 25.0 109.871 177.493 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.1 mtm -60.78 -30.52 70.08 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.873 0.368 . . . . 25.0 110.785 179.142 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 30.6 p -78.11 -13.88 59.7 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.512 -0.475 . . . . 25.0 112.173 -176.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -107.33 -26.87 10.81 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.742 0.275 . . . . 25.0 111.742 176.086 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -78.4 -39.94 37.5 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 118.41 0.55 . . . . 25.0 110.206 175.182 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -76.8 -11.66 85.22 Favored Glycine 0 C--O 1.221 -0.679 0 N-CA-C 115.167 0.827 . . . . 25.0 115.167 -176.128 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 40.0 ptt85 -90.53 2.13 56.05 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 117.625 0.713 . . . . 25.0 111.586 179.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.12 130.33 35.39 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 179.195 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -145.72 41.73 1.01 Allowed Glycine 0 C--O 1.223 -0.544 0 CA-C-O 122.418 1.01 . . . . 25.0 112.288 179.639 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 33.1 t . . . . . 0 C--O 1.211 -0.933 0 CA-C-O 123.314 1.53 . . . . 25.0 112.413 -178.233 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . 0.461 ' N ' HH21 ' A' ' 413' ' ' ARG . . . . . . . . 0 N--CA 1.501 3.019 0 CA-C-O 122.219 0.9 . . . . 25.0 112.724 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 20.7 m -64.24 135.95 56.74 Favored 'General case' 0 C--O 1.226 -0.147 0 O-C-N 121.017 -1.284 . . . . 25.0 109.531 178.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.461 HH21 ' N ' ' A' ' 411' ' ' GLY . 0.2 OUTLIER -128.59 -39.6 1.64 Allowed 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 116.416 -0.356 . . . . 25.0 111.353 -179.253 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 10.6 m 66.6 -48.66 0.45 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 116.324 1.972 . . . . 25.0 116.324 178.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -158.84 164.97 35.25 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.549 -0.908 . . . . 25.0 108.549 -179.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.408 ' HB2' ' HG2' ' A' ' 419' ' ' GLU . 71.6 m -93.69 127.19 39.27 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.349 -0.982 . . . . 25.0 108.349 176.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.11 -28.04 69.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.653 -1.158 . . . . 25.0 112.719 -175.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.0 -40.81 98.57 Favored Glycine 0 C--O 1.219 -0.84 0 C-N-CA 120.783 -0.722 . . . . 25.0 112.128 179.683 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.408 ' HG2' ' HB2' ' A' ' 416' ' ' SER . 6.7 mm-40 -62.9 -40.4 97.46 Favored 'General case' 0 C--O 1.206 -1.231 0 CA-C-N 117.319 0.559 . . . . 25.0 110.15 -177.917 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 90.1 t -70.84 -32.7 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 120.961 0.41 . . . . 25.0 110.254 -179.01 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -66.24 -40.57 90.31 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.389 -0.597 . . . . 25.0 109.389 178.149 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -74.64 -31.29 61.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.865 -0.607 . . . . 25.0 109.473 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 23.8 ttm -61.62 -36.05 79.64 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.304 0.573 . . . . 25.0 110.866 179.164 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.32 -33.06 75.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.919 -0.582 . . . . 25.0 109.637 179.357 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.03 -37.1 69.81 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 178.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 98.8 t -63.56 -47.67 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 178.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -60.72 -46.04 91.91 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.852 0.358 . . . . 25.0 110.693 179.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.82 92.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.992 -0.442 . . . . 25.0 110.28 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.6 -47.65 72.0 Favored 'General case' 0 C--O 1.218 -0.576 0 CA-C-N 116.06 -0.518 . . . . 25.0 111.728 -178.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -69.85 -31.73 69.74 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.864 -0.734 . . . . 25.0 111.036 -177.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.43 -42.99 98.72 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 177.559 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -75.31 -32.4 60.95 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 119.114 -1.034 . . . . 25.0 112.405 176.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.8 tpp -59.81 -33.67 72.04 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.468 -0.568 . . . . 25.0 109.468 176.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 57.3 m -58.29 -33.87 69.93 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.102 0.477 . . . . 25.0 110.705 178.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -69.63 -47.95 61.65 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.117 -1.068 . . . . 25.0 108.117 178.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 113.803 1.038 . . . . 25.0 113.803 -177.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.6 m -63.45 -33.08 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 112.196 0.443 . . . . 25.0 112.196 -178.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 78.8 mt -74.2 -20.88 60.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.363 -0.381 . . . . 25.0 111.946 178.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -94.15 -5.58 46.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.789 0.328 . . . . 25.0 110.418 176.782 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -104.31 167.41 9.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.065 0.46 . . . . 25.0 109.853 -178.546 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -78.45 -31.13 47.09 Favored Glycine 0 CA--C 1.52 0.384 0 C-N-CA 120.566 -0.826 . . . . 25.0 113.118 179.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -160.58 103.69 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.88 0.34 . . . . 25.0 110.612 179.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 24.7 ttt180 56.06 -160.6 0.2 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.194 0.597 . . . . 25.0 111.156 177.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -129.68 63.61 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.551 -0.907 . . . . 25.0 108.551 179.007 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 9.7 t0 54.7 15.04 0.97 Allowed 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 115.073 1.508 . . . . 25.0 115.073 177.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 1.5 t0 60.75 30.63 19.81 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 114.369 -1.287 . . . . 25.0 112.118 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -85.6 50.49 1.97 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.725 -1.125 . . . . 25.0 108.83 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.95 155.77 70.46 Favored Pre-proline 0 CA--C 1.556 1.21 0 CA-C-N 114.197 -1.365 . . . . 25.0 111.918 179.489 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -79.87 -13.67 12.85 Favored 'Trans proline' 0 C--N 1.35 0.619 0 N-CA-C 117.701 2.154 . . . . 25.0 117.701 -173.209 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -87.6 7.58 80.48 Favored Glycine 0 CA--C 1.506 -0.518 0 CA-C-O 122.795 1.219 . . . . 25.0 113.079 -177.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.1 -17.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 113.245 -1.478 . . . . 25.0 112.371 -179.425 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 22.9 t -149.92 -46.49 0.13 Allowed 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 114.506 1.298 . . . . 25.0 114.506 179.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 80.01 -63.1 4.13 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.317 -0.713 . . . . 25.0 111.317 -176.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 52.25 39.66 27.49 Favored 'General case' 0 CA--C 1.543 0.712 0 N-CA-C 114.601 1.334 . . . . 25.0 114.601 177.175 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.7 m -54.23 139.69 35.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.258 0.551 . . . . 25.0 110.456 178.621 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -132.92 155.35 49.25 Favored 'General case' 0 C--O 1.209 -1.067 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 -172.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -105.71 -62.2 1.4 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.651 0.739 . . . . 25.0 110.168 171.7 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -61.95 -28.91 69.87 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.9 0.704 . . . . 25.0 112.9 -179.22 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -65.05 -33.91 88.41 Favored Glycine 0 C--O 1.225 -0.415 0 N-CA-C 110.85 -0.9 . . . . 25.0 110.85 177.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -68.06 -39.79 82.89 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.86 -0.792 . . . . 25.0 108.86 179.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -66.26 -34.42 77.96 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.616 -0.434 . . . . 25.0 109.844 178.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -66.02 -39.71 90.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.349 -0.387 . . . . 25.0 110.484 178.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.97 -35.38 80.43 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 109.588 -0.523 . . . . 25.0 109.588 179.379 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -60.18 -35.83 76.24 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.407 0.623 . . . . 25.0 109.991 176.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.91 -46.26 68.07 Favored Glycine 0 C--O 1.219 -0.803 0 N-CA-C 108.908 -1.677 . . . . 25.0 108.908 177.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.83 -39.6 65.72 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 122.617 0.367 . . . . 25.0 111.758 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -65.36 -44.73 86.7 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.237 0.542 . . . . 25.0 111.282 179.02 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.81 -44.2 74.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.15 0.5 . . . . 25.0 111.534 -177.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.8 m -68.29 -26.64 34.4 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 CA-C-N 116.582 -0.281 . . . . 25.0 110.757 -178.542 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -54.65 -34.02 61.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.71 0.232 . . . . 25.0 111.588 -179.812 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.22 -38.0 89.03 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 120.918 0.389 . . . . 25.0 110.417 177.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -37.05 67.81 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.132 -0.322 . . . . 25.0 110.132 177.051 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.452 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.9 mm-40 -65.7 -46.55 78.56 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.595 0.591 . . . . 25.0 112.595 -178.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -62.5 -27.77 69.37 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.497 -0.557 . . . . 25.0 109.497 179.35 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.18 -52.58 10.61 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.854 -0.612 . . . . 25.0 110.915 177.397 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.6 p -63.64 -36.35 76.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 118.785 0.72 . . . . 25.0 109.875 -174.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -62.69 -36.17 82.06 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.888 -0.596 . . . . 25.0 110.09 178.347 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.03 -44.88 91.81 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.344 -178.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.03 -33.82 48.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.173 -0.611 . . . . 25.0 109.98 -178.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.73 -30.67 67.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.439 0.638 . . . . 25.0 109.44 179.387 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.49 -42.84 42.07 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 121.391 0.615 . . . . 25.0 110.124 178.228 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.2 mtm -63.76 -27.21 69.04 Favored 'General case' 0 CA--C 1.496 -1.114 0 C-N-CA 120.688 -0.405 . . . . 25.0 111.97 -179.376 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.5 p -83.17 -34.6 25.94 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 119.903 -0.719 . . . . 25.0 109.745 -176.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -79.58 -26.05 41.41 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.036 -0.666 . . . . 25.0 110.712 177.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.58 -17.15 45.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 O-C-N 121.71 -0.619 . . . . 25.0 111.476 176.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 70.21 27.65 72.56 Favored Glycine 0 C--O 1.226 -0.397 0 N-CA-C 111.015 -0.834 . . . . 25.0 111.015 -176.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -121.94 35.95 4.75 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 122.389 -0.477 . . . . 25.0 111.686 -175.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.45 -21.13 64.66 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.946 -0.57 . . . . 25.0 111.123 177.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 80.98 -60.43 4.67 Favored Glycine 0 C--O 1.225 -0.437 0 N-CA-C 111.343 -0.703 . . . . 25.0 111.343 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 10.1 m . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 124.433 2.063 . . . . 25.0 111.503 178.374 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.5 0 CA-C-O 123.727 1.737 . . . . 25.0 113.228 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 93.3 p -129.77 163.94 25.11 Favored 'General case' 0 CA--C 1.521 -0.136 0 O-C-N 120.941 -1.329 . . . . 25.0 109.643 -179.47 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -60.55 -36.19 77.87 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.265 0.555 . . . . 25.0 110.57 178.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 1.8 p -165.71 148.21 7.51 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 101.288 -3.597 . . . . 25.0 101.288 176.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -71.83 -29.96 64.96 Favored 'General case' 0 C--O 1.205 -1.262 0 C-N-CA 120.285 -0.566 . . . . 25.0 111.847 -177.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 18.8 m 27.42 127.64 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.187 1 N-CA-C 122.324 4.194 . . . . 25.0 122.324 178.27 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -53.57 -33.02 53.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.344 -1.298 . . . . 25.0 114.298 -176.049 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.92 -41.98 80.08 Favored Glycine 0 C--O 1.22 -0.757 0 C-N-CA 120.26 -0.971 . . . . 25.0 110.937 177.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -65.06 -37.98 89.32 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 83.2 t -64.84 -34.8 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-O 120.843 0.354 . . . . 25.0 110.525 178.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 42.5 m -66.64 -39.87 88.45 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.542 -0.463 . . . . 25.0 109.795 179.451 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -75.81 -27.5 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.947 0.404 . . . . 25.0 110.539 179.093 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 40.5 ttm -58.6 -33.01 69.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 123.208 0.603 . . . . 25.0 111.364 -179.659 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.88 -34.48 77.48 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.22 0.533 . . . . 25.0 110.597 178.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.94 -34.81 59.87 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.554 -0.535 . . . . 25.0 109.554 178.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.98 -47.03 92.27 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.433 0 N-CA-C 108.763 -0.829 . . . . 25.0 108.763 178.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.8 -43.24 90.5 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.932 -0.307 . . . . 25.0 110.499 179.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.07 95.76 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.957 -0.297 . . . . 25.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -68.6 -44.68 73.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.316 -0.402 . . . . 25.0 111.049 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -62.18 -44.62 96.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.563 0.697 . . . . 25.0 109.488 -179.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 49.5 mt -60.0 -42.8 95.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.671 -0.695 . . . . 25.0 111.511 179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -73.81 -34.8 64.75 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.167 -1.013 . . . . 25.0 112.37 178.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 73.1 mtm -64.28 -37.3 87.0 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 178.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 40.2 m -59.87 -39.19 84.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.003 0.43 . . . . 25.0 110.471 177.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -64.71 -47.63 77.6 Favored 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 108.513 -0.921 . . . . 25.0 108.513 178.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.42 -43.8 92.98 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 114.7 -1.136 . . . . 25.0 113.403 -178.019 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 31.3 m -69.99 -35.05 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 N-CA-C 112.493 0.553 . . . . 25.0 112.493 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 79.8 mt -71.48 -19.13 62.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.855 0.359 . . . . 25.0 111.526 177.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -91.39 -2.8 57.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.771 0.32 . . . . 25.0 110.342 177.185 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -103.78 164.83 11.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.528 . . . . 25.0 110.051 -179.045 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -84.17 115.05 4.0 Favored Glycine 0 N--CA 1.453 -0.192 0 N-CA-C 109.547 -1.421 . . . . 25.0 109.547 177.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -142.18 175.35 9.82 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 106.638 -1.616 . . . . 25.0 106.638 -178.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -79.39 158.38 27.4 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.275 -1.33 . . . . 25.0 109.217 -178.876 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -113.31 49.18 0.98 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.199 -1.037 . . . . 25.0 108.199 178.314 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.34 -34.51 63.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.543 -0.753 . . . . 25.0 110.039 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.42 -62.84 1.23 Allowed 'General case' 0 CA--C 1.499 -1.017 0 CA-C-O 124.592 2.139 . . . . 25.0 112.131 -176.2 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 42.32 44.77 3.48 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 108.839 -3.801 . . . . 25.0 113.53 178.42 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -66.87 147.37 99.09 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-O 121.142 0.496 . . . . 25.0 112.131 -177.516 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -80.07 153.84 22.13 Favored 'Trans proline' 0 C--N 1.347 0.473 0 CA-C-O 121.717 0.632 . . . . 25.0 113.106 179.579 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -152.53 136.08 5.23 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 109.944 -1.262 . . . . 25.0 109.944 178.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.58 136.76 25.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 107.467 -1.309 . . . . 25.0 107.467 178.802 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 69.4 m -134.72 164.41 27.6 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 110.021 -0.363 . . . . 25.0 110.021 -176.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 175.83 -38.21 0.1 Allowed Glycine 0 C--O 1.228 -0.25 0 C-N-CA 121.208 -0.52 . . . . 25.0 112.005 -179.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 54.19 19.85 2.33 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.693 1.368 . . . . 25.0 114.693 177.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 55.0 p -153.44 161.6 42.11 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.579 -1.267 . . . . 25.0 107.579 -178.37 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -156.6 142.28 17.74 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -105.74 -67.66 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.451 0.643 . . . . 25.0 109.773 174.022 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -62.43 -30.21 71.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.326 0.584 . . . . 25.0 111.561 -179.449 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.53 -32.35 77.71 Favored Glycine 0 C--O 1.221 -0.689 0 CA-C-N 115.595 -0.729 . . . . 25.0 111.91 178.237 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -65.66 -40.05 92.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.166 -0.608 . . . . 25.0 109.639 179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -68.85 -36.85 78.64 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.499 -0.556 . . . . 25.0 109.499 -179.304 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.44 -44.03 92.43 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.148 -0.478 . . . . 25.0 110.219 177.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.01 -35.48 80.67 Favored 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 120.795 -0.362 . . . . 25.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -56.89 -37.13 70.97 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 118.764 0.711 . . . . 25.0 110.128 175.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.84 -47.91 52.16 Favored Glycine 0 C--O 1.218 -0.851 0 N-CA-C 109.392 -1.483 . . . . 25.0 109.392 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.41 -39.26 64.18 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -67.49 -42.71 82.47 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.189 0.519 . . . . 25.0 111.131 179.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.66 -44.3 74.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.081 0.467 . . . . 25.0 110.963 -178.174 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 20.9 m -68.81 -26.52 32.96 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 CA-C-N 116.614 -0.266 . . . . 25.0 110.774 -178.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.59 -32.46 65.25 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 117.836 0.289 . . . . 25.0 111.047 179.405 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.29 78.02 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 120.618 0.247 . . . . 25.0 110.593 178.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -76.85 -36.57 56.71 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 120.56 0.219 . . . . 25.0 110.613 175.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.447 ' HA ' HG12 ' A' ' 476' ' ' VAL . 52.5 mm-40 -66.35 -46.08 78.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.495 0.554 . . . . 25.0 112.495 -178.143 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -61.19 -28.71 69.33 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 109.133 -0.691 . . . . 25.0 109.133 178.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.24 -50.68 13.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.431 -0.804 . . . . 25.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.447 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.7 p -63.43 -35.57 72.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 -176.562 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -62.84 -36.17 82.36 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-N 116.022 -0.536 . . . . 25.0 110.474 178.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.54 -43.53 98.69 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.317 -179.761 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -72.75 -31.78 38.07 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 N-CA-C 109.67 -0.493 . . . . 25.0 109.67 -179.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.75 -28.53 65.98 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.288 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.6 mt -77.38 -45.28 26.48 Favored 'General case' 0 C--O 1.214 -0.806 0 N-CA-C 109.448 -0.575 . . . . 25.0 109.448 177.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.5 mtm -62.12 -28.81 69.89 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-O 121.121 0.486 . . . . 25.0 111.393 -179.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 28.2 p -85.87 -17.79 34.6 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.28 -0.568 . . . . 25.0 111.664 -176.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -93.38 -23.58 18.38 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 173.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -74.94 -36.67 62.11 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.721 -0.844 . . . . 25.0 108.721 173.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -79.49 41.97 2.36 Favored Glycine 0 C--O 1.225 -0.444 0 N-CA-C 115.175 0.83 . . . . 25.0 115.175 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -105.02 31.84 4.58 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 117.43 0.615 . . . . 25.0 110.376 179.379 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -76.35 58.57 1.31 Allowed 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.07 -0.514 . . . . 25.0 112.288 -179.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -116.66 43.65 1.61 Allowed Glycine 0 C--O 1.226 -0.402 0 N-CA-C 111.181 -0.768 . . . . 25.0 111.181 -179.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.21 -1.004 0 CA-C-O 123.554 1.645 . . . . 25.0 110.952 -177.643 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.849 0 CA-C-O 124.611 2.228 . . . . 25.0 111.014 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 26.2 p -67.21 151.55 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 112.328 -1.936 . . . . 25.0 110.087 -179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -138.77 158.28 44.51 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.117 -1.808 . . . . 25.0 106.117 -179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 5.3 t 61.56 -152.5 0.37 Allowed 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.259 0.975 . . . . 25.0 109.36 -177.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -125.16 154.25 41.79 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.996 -0.742 . . . . 25.0 108.996 -177.892 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -83.64 139.51 32.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.156 0.979 . . . . 25.0 109.148 178.048 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.32 -12.64 60.02 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.012 -0.995 . . . . 25.0 110.607 -177.372 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.04 -41.11 93.18 Favored Glycine 0 C--O 1.223 -0.556 0 N-CA-C 110.001 -1.24 . . . . 25.0 110.001 177.724 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.04 -38.84 89.37 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 108.916 -0.772 . . . . 25.0 108.916 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.35 -31.04 52.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.654 -0.703 . . . . 25.0 110.653 -179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.6 m -67.19 -40.74 86.57 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 121.883 -0.511 . . . . 25.0 110.533 179.151 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -75.77 -30.69 59.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.465 0.65 . . . . 25.0 109.744 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 45.6 ttp -63.32 -41.48 98.91 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 108.719 -0.845 . . . . 25.0 108.719 177.334 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.89 -31.51 72.49 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.048 0.451 . . . . 25.0 110.769 177.702 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.67 -45.49 68.22 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 122.131 -0.356 . . . . 25.0 110.888 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.22 -32.62 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 122.339 -0.226 . . . . 25.0 110.526 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -58.46 -46.32 86.83 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 174.414 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.87 85.23 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.86 -0.525 . . . . 25.0 110.166 179.161 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.87 -46.45 78.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.125 -0.489 . . . . 25.0 111.588 -179.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.8 -31.13 70.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.544 -0.723 . . . . 25.0 110.661 -178.558 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 38.7 mt -62.67 -42.04 99.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 122.128 -0.357 . . . . 25.0 110.086 177.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -74.99 -32.22 61.61 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.462 -0.895 . . . . 25.0 111.545 175.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 7.2 tpp -62.79 -33.41 75.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.817 0.342 . . . . 25.0 110.596 178.401 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.3 m -57.84 -36.55 72.46 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.471 0.653 . . . . 25.0 109.898 177.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -66.61 -41.0 89.08 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -63.87 -44.85 91.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.428 -0.806 . . . . 25.0 111.535 -178.326 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.0 m -68.38 -33.25 59.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 112.4 0.519 . . . . 25.0 112.4 -177.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.27 -47.84 82.55 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.249 -0.649 . . . . 25.0 109.249 177.253 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -69.13 -27.91 65.99 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.004 0.372 . . . . 25.0 112.004 179.649 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -68.24 -28.91 67.64 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -179.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 178.78 17.01 0.03 OUTLIER Glycine 0 C--O 1.237 0.281 0 N-CA-C 119.978 2.751 . . . . 25.0 119.978 179.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -85.29 96.44 9.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 119.607 1.704 . . . . 25.0 109.872 179.544 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -67.98 -33.67 75.08 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 178.027 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 58.48 28.99 17.71 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.653 1.353 . . . . 25.0 114.653 174.312 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.33 -41.88 76.77 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.293 0.568 . . . . 25.0 112.322 -177.314 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -137.73 51.44 1.91 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.255 -0.884 . . . . 25.0 108.641 -178.655 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -133.75 53.96 1.98 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.099 0.476 . . . . 25.0 112.144 -177.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -69.26 153.81 95.57 Favored Pre-proline 0 CA--C 1.545 0.786 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 176.908 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -80.98 3.59 7.68 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 120.403 0.735 . . . . 25.0 113.997 179.402 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 125.74 160.28 10.6 Favored Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 108.957 -1.657 . . . . 25.0 108.957 -178.166 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 11.9 p -51.31 136.43 10.71 Favored 'Isoleucine or valine' 0 C--O 1.241 0.615 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -176.243 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 12.3 t -152.91 -174.12 4.82 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 103.111 -2.922 . . . . 25.0 103.111 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -168.56 -52.44 0.03 OUTLIER Glycine 0 C--O 1.221 -0.666 0 C-N-CA 119.682 -1.246 . . . . 25.0 115.361 178.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -148.86 -48.95 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 179.437 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 48.4 p -76.15 152.75 36.62 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 174.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -76.23 66.07 2.28 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 119.215 -0.421 . . . . 25.0 110.512 179.303 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -44.95 -52.69 8.47 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.959 0.725 . . . . 25.0 112.959 -176.808 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . 0.471 ' CE3' ' HA ' ' A' ' 458' ' ' TRP . 75.0 m95 -66.5 -34.66 78.42 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.173 1.175 . . . . 25.0 114.173 -177.616 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -70.61 -31.51 67.88 Favored Glycine 0 C--N 1.311 -0.844 0 CA-C-N 114.415 -1.266 . . . . 25.0 111.235 179.233 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -65.62 -35.97 82.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.145 -0.621 . . . . 25.0 109.518 177.682 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -64.3 -35.12 79.8 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 178.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.03 35.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.915 -0.584 . . . . 25.0 110.223 179.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.61 -31.99 72.4 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 -176.742 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -67.09 -28.24 68.01 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 119.786 -0.766 . . . . 25.0 110.502 177.671 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -74.02 -38.15 48.58 Favored Glycine 0 C--O 1.225 -0.466 0 N-CA-C 107.739 -2.144 . . . . 25.0 107.739 174.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.42 -32.89 63.06 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 120.808 0.337 . . . . 25.0 111.344 178.672 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -72.59 -39.31 67.46 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.027 -0.42 . . . . 25.0 111.707 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.98 -44.78 75.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.34 0.591 . . . . 25.0 109.459 -179.04 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 13.4 m -69.14 -26.58 32.34 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.364 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.71 -28.87 64.24 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 122.178 -0.326 . . . . 25.0 111.778 -179.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.16 -38.86 92.56 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 109.638 -0.504 . . . . 25.0 109.638 177.228 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -37.64 67.63 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.837 0.351 . . . . 25.0 110.078 176.495 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.452 ' HA ' HG12 ' A' ' 476' ' ' VAL . 63.6 mm-40 -65.87 -46.41 78.51 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.748 0.647 . . . . 25.0 112.748 -179.062 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.88 -28.08 69.79 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 178.835 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.4 -52.07 15.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.8 -0.637 . . . . 25.0 110.698 177.318 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.7 p -63.18 -35.78 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 CA-C-N 118.804 0.729 . . . . 25.0 109.482 -175.932 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -62.25 -36.28 81.56 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.898 -0.592 . . . . 25.0 110.303 178.407 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.38 -43.86 92.85 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.727 -0.389 . . . . 25.0 110.291 -179.814 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -71.66 -34.77 53.43 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 -179.72 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.53 -26.95 65.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.438 0.637 . . . . 25.0 110.018 179.654 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -77.63 -41.99 36.47 Favored 'General case' 0 C--O 1.214 -0.779 0 N-CA-C 109.316 -0.624 . . . . 25.0 109.316 177.054 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.3 mtm -63.06 -28.2 69.92 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.426 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.2 p -78.41 -34.17 48.19 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 119.262 -0.975 . . . . 25.0 110.208 -176.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -81.49 -31.65 32.8 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.536 -0.466 . . . . 25.0 111.082 176.536 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -71.32 -36.0 71.42 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 177.652 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -84.72 4.06 85.55 Favored Glycine 0 N--CA 1.453 -0.199 0 N-CA-C 111.556 -0.618 . . . . 25.0 111.556 176.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 38.45 52.89 1.78 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 124.902 1.281 . . . . 25.0 112.94 -178.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -66.7 138.76 57.64 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.58 -1.191 . . . . 25.0 109.56 -178.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -64.78 -27.78 72.49 Favored Glycine 0 C--O 1.226 -0.391 0 CA-C-O 122.476 1.042 . . . . 25.0 112.522 179.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 37.0 p . . . . . 0 C--O 1.214 -0.783 0 CA-C-O 123.204 1.478 . . . . 25.0 111.642 179.382 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 CA-C-O 122.082 0.823 . . . . 25.0 112.683 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 77.3 p 56.76 -153.21 0.37 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.796 1.238 . . . . 25.0 110.056 -178.615 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 56.0 25.53 8.9 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.73 0.812 . . . . 25.0 113.131 178.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 70.8 m -94.53 159.0 15.29 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 103.903 -2.628 . . . . 25.0 103.903 176.385 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -68.92 -24.95 64.36 Favored 'General case' 0 C--O 1.213 -0.856 0 C-N-CA 119.857 -0.737 . . . . 25.0 111.064 -179.217 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.8 m 40.67 120.94 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 120.918 3.673 . . . . 25.0 120.918 176.21 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -56.87 -34.81 68.2 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.636 -1.165 . . . . 25.0 112.459 -178.27 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -71.69 -36.71 61.87 Favored Glycine 0 C--O 1.224 -0.511 0 C-N-CA 120.232 -0.985 . . . . 25.0 111.926 178.302 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.49 -34.2 69.93 Favored 'General case' 0 C--O 1.21 -0.998 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 -179.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.58 -37.91 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 122.229 -0.294 . . . . 25.0 110.835 176.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.2 m -64.16 -37.5 87.7 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.689 -0.632 . . . . 25.0 110.899 178.467 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -75.82 -31.87 59.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.471 0.653 . . . . 25.0 109.895 179.056 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 37.3 ttm -60.11 -44.79 94.59 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 115.539 -0.755 . . . . 25.0 109.344 179.009 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.99 -34.7 78.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.173 0.511 . . . . 25.0 110.924 -178.807 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.4 -46.99 58.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.3 -0.409 . . . . 25.0 110.865 -178.941 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.2 p -70.39 -34.73 59.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 C-N-CA 120.989 -0.284 . . . . 25.0 111.012 -178.083 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -57.55 -46.0 84.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.81 -0.441 . . . . 25.0 109.81 177.15 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.15 -40.58 96.46 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.683 0.278 . . . . 25.0 110.681 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.54 -44.63 86.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.232 -0.44 . . . . 25.0 111.251 -179.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -62.96 -41.76 99.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.419 0.628 . . . . 25.0 109.323 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 40.0 mt -62.4 -43.64 98.35 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.809 -0.632 . . . . 25.0 112.195 -179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -73.75 -32.19 63.71 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 119.656 -0.818 . . . . 25.0 111.329 179.421 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -61.13 -42.09 97.91 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.461 -0.941 . . . . 25.0 108.461 175.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 62.6 m -59.42 -33.18 70.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.87 -0.604 . . . . 25.0 110.543 179.098 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -65.7 -44.4 86.25 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.447 -0.783 . . . . 25.0 109.966 179.39 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -64.29 -44.35 91.92 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.642 -0.873 . . . . 25.0 108.642 -179.413 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.19 -41.5 86.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 124.281 1.032 . . . . 25.0 113.585 179.449 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 38.1 mt -70.4 -30.03 66.82 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -177.841 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -91.62 -51.76 5.1 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.739 -0.384 . . . . 25.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . 39.79 39.74 0.59 Allowed 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 115.512 1.671 . . . . 25.0 115.512 178.196 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -71.03 -17.27 75.47 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-O 121.464 0.48 . . . . 25.0 112.425 -178.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -155.75 163.37 39.94 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 102.724 -3.065 . . . . 25.0 102.724 176.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -77.16 -22.29 52.74 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 113.892 1.071 . . . . 25.0 113.892 -178.254 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 58.41 43.72 19.29 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 124.201 0.938 . . . . 25.0 109.545 -174.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -58.59 -42.34 87.85 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.767 0.794 . . . . 25.0 109.747 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -161.77 58.08 0.26 Allowed 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 105.641 -1.985 . . . . 25.0 105.641 178.135 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -124.96 25.11 7.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.568 -0.742 . . . . 25.0 109.162 -176.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -113.31 158.61 37.81 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.571 -0.74 . . . . 25.0 110.581 -177.251 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -80.77 12.26 2.68 Favored 'Trans proline' 0 C--N 1.347 0.494 0 N-CA-C 116.598 1.73 . . . . 25.0 116.598 -175.214 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 74.36 41.03 38.79 Favored Glycine 0 C--O 1.236 0.272 0 N-CA-C 110.265 -1.134 . . . . 25.0 110.265 -178.581 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 10.9 p -61.58 146.09 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 114.802 -0.699 . . . . 25.0 109.867 -177.918 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 19.9 m 54.2 32.99 17.07 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.438 1.273 . . . . 25.0 114.438 178.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -71.83 62.82 1.25 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 116.202 1.241 . . . . 25.0 116.202 179.527 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -141.01 136.18 31.85 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 177.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 37.7 t -75.07 113.17 12.09 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.163 0.506 . . . . 25.0 111.156 -178.174 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -58.51 138.63 56.62 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 107.985 -1.117 . . . . 25.0 107.985 176.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -105.73 -62.9 1.3 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.126 0.488 . . . . 25.0 110.852 178.22 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -63.57 -29.82 71.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.004 0.431 . . . . 25.0 111.034 178.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -61.43 -33.18 83.75 Favored Glycine 0 C--O 1.219 -0.836 0 CA-C-N 116.038 -0.528 . . . . 25.0 111.863 178.231 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.88 -32.68 73.34 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.943 -0.739 . . . . 25.0 110.211 179.615 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -74.51 -31.14 62.07 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 -179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -71.04 -47.77 56.62 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.256 -0.646 . . . . 25.0 109.256 175.762 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -35.74 81.8 Favored 'General case' 0 C--O 1.215 -0.749 0 O-C-N 122.197 -0.314 . . . . 25.0 111.843 -178.006 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -64.76 -27.11 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.281 -0.887 . . . . 25.0 110.07 178.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -75.15 -44.03 24.34 Favored Glycine 0 C--O 1.222 -0.63 0 N-CA-C 107.851 -2.1 . . . . 25.0 107.851 174.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.93 69.15 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 120.966 0.412 . . . . 25.0 111.196 179.613 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.8 mm-40 -63.02 -44.97 94.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.21 0.529 . . . . 25.0 111.242 178.677 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.37 -45.04 73.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.102 0.477 . . . . 25.0 110.975 -177.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.8 m -70.12 -26.58 29.92 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.918 0 C-N-CA 120.68 -0.408 . . . . 25.0 110.544 -178.71 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.65 -33.61 66.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 118.451 0.568 . . . . 25.0 111.078 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -67.12 -36.5 82.03 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.029 0.443 . . . . 25.0 109.925 177.814 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -33.62 66.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.553 -0.294 . . . . 25.0 110.857 177.097 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.473 ' HA ' HG12 ' A' ' 476' ' ' VAL . 35.1 mm-40 -72.17 -46.11 57.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.16 0.505 . . . . 25.0 111.919 -176.041 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -62.01 -28.03 69.29 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.609 -0.886 . . . . 25.0 108.609 178.29 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.5 tp -75.1 -53.16 9.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.797 -0.638 . . . . 25.0 111.33 177.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.7 p -63.21 -35.31 71.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 O-C-N 121.599 -0.688 . . . . 25.0 109.909 -175.639 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.1 t-160 -63.68 -36.76 84.92 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.242 178.287 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.68 89.9 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.573 -0.451 . . . . 25.0 110.054 -179.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -71.2 -35.37 58.02 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 C-N-CA 120.656 -0.417 . . . . 25.0 109.876 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.97 65.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.138 0.494 . . . . 25.0 109.858 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.76 -44.04 28.89 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 177.332 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -60.67 -29.66 69.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.924 0.392 . . . . 25.0 111.28 179.551 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.7 p -77.35 -13.83 59.85 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.241 -0.584 . . . . 25.0 112.337 -175.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -108.7 -34.08 6.81 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.632 -0.258 . . . . 25.0 110.651 175.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -67.09 -29.37 69.11 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 122.015 -0.428 . . . . 25.0 110.394 178.427 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -64.24 -12.52 50.75 Favored Glycine 0 CA--C 1.52 0.379 0 C-N-CA 121.239 -0.505 . . . . 25.0 114.014 178.756 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -136.64 26.33 3.09 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.352 0.576 . . . . 25.0 109.951 176.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -82.91 144.64 29.9 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.892 -0.781 . . . . 25.0 108.892 179.938 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -83.14 3.21 85.24 Favored Glycine 0 C--O 1.221 -0.672 0 C-N-CA 120.963 -0.637 . . . . 25.0 112.103 177.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 C--O 1.208 -1.088 0 CA-C-O 125.717 2.675 . . . . 25.0 112.723 -179.027 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.768 0 CA-C-O 124.857 2.365 . . . . 25.0 110.856 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 17.5 t -70.48 159.09 34.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 112.725 -1.738 . . . . 25.0 109.877 -179.524 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -32.9 21.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.186 -0.461 . . . . 25.0 109.873 -178.555 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 33.2 p -154.78 162.34 41.15 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 106.038 -1.838 . . . . 25.0 106.038 179.916 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -135.52 -21.05 1.56 Allowed 'General case' 0 C--O 1.209 -1.05 0 N-CA-C 113.286 0.847 . . . . 25.0 113.286 179.134 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 24.7 t 59.43 146.39 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 115.86 1.8 . . . . 25.0 115.86 -178.426 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -77.75 -25.12 48.98 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.312 -1.313 . . . . 25.0 111.52 -176.238 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -85.55 -45.81 5.68 Favored Glycine 0 C--O 1.222 -0.628 0 N-CA-C 110.558 -1.017 . . . . 25.0 110.558 179.441 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -63.01 -24.97 68.17 Favored 'General case' 0 C--O 1.21 -0.986 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -177.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.53 -33.1 43.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 O-C-N 121.963 -0.461 . . . . 25.0 110.713 175.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 19.5 m -70.27 -38.85 75.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 121.645 -0.659 . . . . 25.0 110.388 179.695 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -75.14 -30.89 60.92 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.498 0.666 . . . . 25.0 109.384 -179.146 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 4.1 mtp -62.92 -44.36 96.3 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 115.432 -0.804 . . . . 25.0 109.056 177.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.96 -33.31 75.44 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.344 -178.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.47 -45.38 65.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 25.0 111.489 179.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.0 p -71.63 -32.22 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 121.99 -0.444 . . . . 25.0 110.743 -178.962 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -58.5 -43.45 89.08 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.685 -0.857 . . . . 25.0 108.685 174.727 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.97 -37.39 84.16 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.565 -0.288 . . . . 25.0 110.686 178.297 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.14 95.25 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.695 0.284 . . . . 25.0 110.955 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -60.7 -45.79 92.85 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 122.036 0.922 . . . . 25.0 109.009 178.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.75 -43.76 98.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.13 -0.941 . . . . 25.0 112.196 -179.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -73.7 -33.15 64.27 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 119.482 -0.887 . . . . 25.0 112.16 -179.46 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 65.9 mtm -62.2 -39.66 93.5 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 176.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 59.1 m -55.59 -28.72 56.72 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.203 0.525 . . . . 25.0 111.028 178.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 75.2 mmt-85 -69.17 -43.44 74.25 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.472 -0.767 . . . . 25.0 110.828 -178.206 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -72.35 -40.62 67.2 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.15 -1.056 . . . . 25.0 108.15 178.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 3.3 t -55.59 -42.15 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.635 -0.711 . . . . 25.0 112.444 -178.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 74.8 mt -74.46 -9.19 58.35 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.627 0.973 . . . . 25.0 113.627 -179.256 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 44.2 m170 -111.67 -6.55 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.818 0.342 . . . . 25.0 111.184 179.209 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -91.2 145.55 24.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.354 0.597 . . . . 25.0 111.272 -176.637 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -102.07 10.94 57.15 Favored Glycine 0 C--O 1.229 -0.196 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.81 178.111 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -161.34 163.15 30.94 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 104.335 -2.469 . . . . 25.0 104.335 -178.613 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.41 ' HG3' ' H ' ' A' ' 445' ' ' ASP . 13.7 ptm180 -62.47 -32.12 72.95 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 112.609 0.596 . . . . 25.0 112.609 179.379 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 51.62 26.97 3.64 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.081 1.141 . . . . 25.0 114.081 -178.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 443' ' ' ARG . 30.1 t0 -59.25 -38.56 80.36 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-O 122.184 0.992 . . . . 25.0 110.212 179.149 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -157.77 30.39 0.27 Allowed 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 105.902 -1.888 . . . . 25.0 105.902 177.038 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 45.16 45.42 9.3 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 114.357 -1.292 . . . . 25.0 112.065 -175.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -58.27 144.22 77.76 Favored Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -175.322 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -81.12 166.02 18.85 Favored 'Trans proline' 0 C--N 1.346 0.405 0 CA-C-O 121.59 0.579 . . . . 25.0 112.87 179.223 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -90.73 -139.35 8.02 Favored Glycine 0 C--N 1.323 -0.157 0 N-CA-C 109.316 -1.513 . . . . 25.0 109.316 175.595 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 10.8 p -56.86 136.91 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 177.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 77.2 p -65.64 134.19 52.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.095 -0.378 . . . . 25.0 110.363 -177.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -69.97 -20.3 76.1 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.885 -0.674 . . . . 25.0 114.137 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 46.1 36.69 3.27 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 178.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 73.3 m -126.52 162.73 24.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.409 0.623 . . . . 25.0 111.784 -175.185 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -151.47 162.91 40.12 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 104.979 -2.23 . . . . 25.0 104.979 -179.435 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -105.29 -72.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.308 0.575 . . . . 25.0 111.169 177.588 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 49.5 m95 -62.96 -30.91 71.94 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 114.183 1.179 . . . . 25.0 114.183 -176.299 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -61.6 -33.87 86.49 Favored Glycine 0 C--N 1.319 -0.416 0 CA-C-N 115.692 -0.685 . . . . 25.0 111.645 177.713 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -68.39 -44.87 74.18 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 108.86 -0.793 . . . . 25.0 108.86 179.153 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -63.1 -37.09 85.84 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.536 -0.542 . . . . 25.0 109.536 -178.591 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.47 -44.9 89.58 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.103 -0.499 . . . . 25.0 110.184 178.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -38.13 86.16 Favored 'General case' 0 C--O 1.214 -0.782 0 C-N-CA 120.6 -0.44 . . . . 25.0 110.026 179.455 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -61.86 -35.29 77.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 121.701 -0.624 . . . . 25.0 110.358 177.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.44 -46.0 73.79 Favored Glycine 0 C--O 1.217 -0.962 0 N-CA-C 108.635 -1.786 . . . . 25.0 108.635 176.272 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.48 -38.84 69.67 Favored 'General case' 0 C--O 1.22 -0.479 0 CA-C-N 116.806 0.303 . . . . 25.0 111.537 179.409 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 70.3 mm-40 -67.9 -43.36 79.44 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.181 0.515 . . . . 25.0 110.88 178.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.69 -44.68 85.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.143 0.497 . . . . 25.0 110.498 -178.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.2 m -70.75 -26.84 28.87 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.064 0 C-N-CA 120.688 -0.405 . . . . 25.0 110.384 -179.523 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.22 -33.84 69.76 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.501 0.591 . . . . 25.0 110.955 179.6 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.78 88.8 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 109.64 -0.504 . . . . 25.0 109.64 177.339 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.81 -35.41 67.32 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-N 116.666 -0.243 . . . . 25.0 110.523 176.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.452 ' HA ' HG12 ' A' ' 476' ' ' VAL . 59.0 mm-40 -67.46 -46.58 72.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 121.961 -0.462 . . . . 25.0 112.166 -179.121 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -62.91 -27.0 69.07 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 179.294 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -75.72 -52.92 9.41 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.536 -0.756 . . . . 25.0 111.087 177.743 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.452 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.4 p -63.73 -36.73 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 118.473 0.579 . . . . 25.0 109.876 -175.491 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -64.19 -34.33 77.83 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 116.317 -0.401 . . . . 25.0 110.212 178.698 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.33 -43.9 97.75 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.352 -0.539 . . . . 25.0 109.945 -179.563 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.08 -34.96 56.97 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 N-CA-C 109.822 -0.436 . . . . 25.0 109.822 -179.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.34 -26.94 61.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.226 0.536 . . . . 25.0 109.714 179.024 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.8 mt -81.38 -42.72 20.05 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-O 121.124 0.488 . . . . 25.0 109.772 177.585 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 49.1 mtm -61.15 -28.9 69.45 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.171 -0.331 . . . . 25.0 111.505 179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 36.9 p -79.74 -15.01 58.31 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.241 -0.583 . . . . 25.0 112.061 -176.078 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -105.5 -33.41 8.12 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 121.2 -0.2 . . . . 25.0 111.171 176.097 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -74.55 -32.58 62.48 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 121.803 -0.56 . . . . 25.0 109.927 177.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -70.16 -3.46 45.43 Favored Glycine 0 C--O 1.222 -0.627 0 C-N-CA 121.324 -0.465 . . . . 25.0 113.908 -179.938 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -76.46 -15.94 59.79 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.171 -0.605 . . . . 25.0 110.962 178.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 47.99 35.63 5.28 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 179.293 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -79.3 63.41 3.92 Favored Glycine 0 C--O 1.228 -0.259 0 C-N-CA 121.219 -0.515 . . . . 25.0 113.814 -176.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 C--O 1.206 -1.216 0 CA-C-O 124.394 2.045 . . . . 25.0 112.048 179.388 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 CA-C-O 123.21 1.45 . . . . 25.0 113.191 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 24.8 p -67.02 135.29 53.48 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 108.004 -1.11 . . . . 25.0 108.004 178.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 36.2 ptt-85 -156.38 165.1 37.31 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 -176.109 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 23.7 t -81.26 159.78 24.41 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 106.491 -1.67 . . . . 25.0 106.491 175.813 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -134.24 169.87 16.54 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.637 -0.875 . . . . 25.0 108.637 -178.053 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 41.3 p -114.04 157.51 22.43 Favored 'General case' 0 CA--C 1.504 -0.825 0 N-CA-C 103.99 -2.596 . . . . 25.0 103.99 174.311 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.5 -14.73 61.73 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.722 -0.672 . . . . 25.0 111.489 -174.25 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.2 -42.47 83.52 Favored Glycine 0 C--O 1.224 -0.513 0 N-CA-C 109.595 -1.402 . . . . 25.0 109.595 176.558 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -64.75 -41.59 95.79 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 83.6 t -65.71 -33.83 66.28 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-N 115.693 -0.685 . . . . 25.0 111.038 -178.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 67.2 m -65.36 -42.09 93.13 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.646 -0.421 . . . . 25.0 111.167 -179.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.73 -33.71 60.29 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.475 0.655 . . . . 25.0 109.675 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.6 ttp -63.32 -41.85 98.95 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 178.059 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -68.31 -33.54 74.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.004 0.43 . . . . 25.0 110.154 179.313 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.98 74.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.611 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.28 -35.56 63.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.912 -0.315 . . . . 25.0 110.545 -179.354 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -59.07 -45.46 90.76 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.495 -0.557 . . . . 25.0 109.495 175.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.72 -38.12 88.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.762 0.315 . . . . 25.0 110.421 178.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.79 -41.89 97.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.271 -0.422 . . . . 25.0 110.443 179.459 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.422 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 2.4 mt-10 -65.14 -43.24 92.51 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-O 121.415 0.626 . . . . 25.0 109.751 179.052 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 39.4 mt -57.75 -45.61 85.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.545 -0.752 . . . . 25.0 110.86 -179.254 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -76.15 -38.94 56.09 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 177.619 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . 0.422 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 13.9 ptp -64.21 -37.24 86.75 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 121.424 -0.798 . . . . 25.0 112.686 -174.299 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 27.1 m -57.96 -30.17 65.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.579 0.704 . . . . 25.0 111.578 -175.111 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -65.47 -46.2 80.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.21 -0.45 . . . . 25.0 109.871 -178.197 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -72.41 -41.73 65.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.116 0.484 . . . . 25.0 110.178 178.036 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.2 t -55.83 -43.12 73.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 -176.3 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.52 -29.39 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.341 0.497 . . . . 25.0 112.341 -178.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -91.78 -8.54 46.47 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.281 0.474 . . . . 25.0 112.281 179.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -106.06 2.8 27.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.476 -0.329 . . . . 25.0 111.163 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 148.83 -120.78 1.22 Allowed Glycine 0 C--O 1.223 -0.546 0 N-CA-C 110.634 -0.986 . . . . 25.0 110.634 -177.643 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 67.46 160.38 0.16 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 123.455 1.597 . . . . 25.0 113.642 -179.52 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.91 156.46 19.16 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 104.875 -2.268 . . . . 25.0 104.875 175.549 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -140.54 23.06 2.33 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 -177.659 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -75.39 -19.75 59.36 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.215 -1.357 . . . . 25.0 110.642 -178.222 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -150.43 84.8 1.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 105.845 -1.909 . . . . 25.0 105.845 179.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -132.38 37.85 3.5 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.22 -0.9 . . . . 25.0 111.129 -179.416 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -85.29 124.95 71.21 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 120.509 -0.476 . . . . 25.0 111.834 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -79.76 111.24 2.73 Favored 'Trans proline' 0 CA--C 1.541 0.825 0 N-CA-C 116.72 1.777 . . . . 25.0 116.72 -177.051 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -80.95 49.79 4.03 Favored Glycine 0 CA--C 1.525 0.669 0 CA-C-N 115.493 -0.776 . . . . 25.0 113.946 177.402 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 8.6 p -59.6 -29.34 42.33 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.831 0 N-CA-C 114.289 1.218 . . . . 25.0 114.289 -175.903 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 6.8 t 53.9 -141.92 0.83 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 112.898 0.703 . . . . 25.0 112.898 177.057 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 91.19 -87.48 1.35 Allowed Glycine 0 CA--C 1.517 0.18 0 N-CA-C 114.317 0.487 . . . . 25.0 114.317 177.537 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 55.78 -153.19 0.35 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 123.441 0.696 . . . . 25.0 111.83 -177.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.7 m 48.21 32.88 3.31 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.697 1.74 . . . . 25.0 115.697 178.568 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -73.68 119.07 17.39 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -178.215 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -101.54 -76.73 0.56 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.152 -0.931 . . . . 25.0 109.039 174.096 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -66.11 -27.34 67.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.821 0.819 . . . . 25.0 109.652 176.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -55.6 -28.95 52.95 Favored Glycine 0 C--O 1.218 -0.881 0 CA-C-N 114.63 -1.168 . . . . 25.0 113.282 178.159 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.28 -36.53 73.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 117.963 0.881 . . . . 25.0 112.028 -179.773 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -71.11 -33.27 69.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.11 0.481 . . . . 25.0 110.094 -179.212 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.32 -46.88 53.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.468 -0.567 . . . . 25.0 109.468 178.764 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.87 -36.17 81.7 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 116.501 -0.318 . . . . 25.0 111.153 -177.578 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -65.22 -27.86 68.97 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.5 -0.88 . . . . 25.0 110.339 178.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.74 -43.61 42.07 Favored Glycine 0 C--O 1.218 -0.868 0 N-CA-C 107.938 -2.065 . . . . 25.0 107.938 174.352 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.27 -39.94 67.35 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 120.981 0.419 . . . . 25.0 111.544 179.345 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.6 mm-40 -66.32 -42.68 87.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.097 0.475 . . . . 25.0 111.391 178.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.45 -44.12 79.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.904 0.383 . . . . 25.0 110.648 -178.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.8 m -68.74 -30.99 48.99 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 120.893 -0.323 . . . . 25.0 110.145 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.93 -32.16 65.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 118.076 0.398 . . . . 25.0 111.258 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.28 90.51 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.843 -0.429 . . . . 25.0 109.843 177.342 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -34.67 67.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.726 0.298 . . . . 25.0 110.881 176.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -68.49 -43.93 75.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.131 0.491 . . . . 25.0 111.199 -179.288 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -67.24 -26.22 66.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 121.445 -0.784 . . . . 25.0 109.602 177.678 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 -49.98 38.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.058 -0.519 . . . . 25.0 110.266 177.343 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.51 -36.59 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 -177.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.55 -36.09 82.65 Favored 'General case' 0 N--CA 1.438 -1.039 0 CA-C-N 115.783 -0.644 . . . . 25.0 110.223 177.619 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.4 -45.09 89.04 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.958 -0.464 . . . . 25.0 110.43 -179.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mt -70.47 -34.4 57.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 -179.173 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.56 -28.1 66.82 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.164 -0.68 . . . . 25.0 109.164 178.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -79.78 -43.56 22.27 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 122.022 -0.424 . . . . 25.0 110.155 176.844 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.7 mtm -59.35 -28.61 67.0 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.087 0.47 . . . . 25.0 111.54 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.0 p -79.82 -14.14 58.9 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.045 -0.662 . . . . 25.0 111.693 -175.197 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -106.02 -36.17 7.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.768 -0.196 . . . . 25.0 110.981 174.317 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -66.6 -35.2 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 121.855 -0.528 . . . . 25.0 110.622 179.061 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -68.82 -8.42 57.34 Favored Glycine 0 C--O 1.226 -0.393 0 C-N-CA 120.87 -0.681 . . . . 25.0 113.09 178.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -122.9 9.32 9.4 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 122.467 -0.431 . . . . 25.0 110.911 178.477 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -67.84 -28.03 67.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.089 0.471 . . . . 25.0 110.747 -178.576 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -91.44 19.63 46.14 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 116.128 -0.487 . . . . 25.0 112.165 178.311 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 50.1 p . . . . . 0 C--O 1.206 -1.193 0 CA-C-O 124.832 2.253 . . . . 25.0 112.087 -177.604 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.004 0 CA-C-O 123.046 1.359 . . . . 25.0 113.152 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 42.0 t -163.3 -53.1 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 O-C-N 121.857 -0.79 . . . . 25.0 110.138 179.449 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 12.6 tpp180 -80.95 -35.09 32.68 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.879 -0.785 . . . . 25.0 108.879 177.004 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 18.6 m -88.46 147.28 24.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 106.554 -1.647 . . . . 25.0 106.554 173.791 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -146.57 151.8 37.91 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.793 -0.817 . . . . 25.0 108.793 -179.79 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 3.6 m -89.62 32.14 0.89 Allowed 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 113.671 0.989 . . . . 25.0 113.671 -178.016 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.8 mm? 62.7 -53.21 0.17 Allowed 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 117.748 2.499 . . . . 25.0 117.748 176.81 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.55 -25.95 72.79 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 109.939 -1.265 . . . . 25.0 109.939 178.706 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -64.01 -29.11 70.29 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.848 -0.676 . . . . 25.0 111.053 178.151 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.55 -28.71 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.161 0.505 . . . . 25.0 109.713 -178.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 45.3 m -67.38 -37.48 83.21 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 121.829 -0.545 . . . . 25.0 110.004 177.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -75.68 -32.69 60.23 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 121.829 0.823 . . . . 25.0 109.172 178.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 50.5 ttm -60.45 -35.22 75.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.792 -0.64 . . . . 25.0 110.591 179.527 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.94 73.22 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 120.919 0.39 . . . . 25.0 110.62 178.24 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.22 -36.83 66.53 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.956 -0.757 . . . . 25.0 108.956 178.272 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.71 -42.36 94.78 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.523 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 177.75 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -58.35 -44.44 88.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.899 0.381 . . . . 25.0 110.403 178.274 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.06 89.39 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 120.864 0.364 . . . . 25.0 110.51 178.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.16 -41.61 90.14 Favored 'General case' 0 C--O 1.214 -0.772 0 CA-C-N 116.268 -0.424 . . . . 25.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.34 -40.6 94.86 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.805 0.812 . . . . 25.0 110.65 -179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 73.1 mt -59.71 -45.64 91.54 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.284 -0.871 . . . . 25.0 110.822 178.621 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -73.76 -30.86 63.03 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 119.815 -0.754 . . . . 25.0 111.608 177.477 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 9.4 tpp -63.21 -41.98 99.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.805 -0.559 . . . . 25.0 109.656 178.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 44.6 m -60.37 -44.19 95.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.955 0.407 . . . . 25.0 111.422 -179.438 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 16.8 ptm180 -71.38 -22.64 61.86 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 119.25 -0.98 . . . . 25.0 110.102 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -75.09 -47.97 26.14 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.602 0.593 . . . . 25.0 112.602 175.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 25.1 m -64.0 -30.18 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 N-CA-C 113.75 1.019 . . . . 25.0 113.75 -176.497 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.32 -18.54 64.72 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.215 -0.448 . . . . 25.0 111.909 178.099 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -110.27 11.76 23.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.859 0.361 . . . . 25.0 110.703 177.332 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -132.22 38.88 3.45 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.602 -0.518 . . . . 25.0 109.602 -178.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -63.0 154.21 44.19 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 111.439 -0.664 . . . . 25.0 111.439 179.339 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -149.62 -168.99 3.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.617 -0.883 . . . . 25.0 108.617 -177.013 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 59.21 -177.49 0.09 Allowed 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 126.125 1.77 . . . . 25.0 115.544 -176.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -152.51 26.2 0.59 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 106.876 -1.527 . . . . 25.0 106.876 179.914 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.99 -39.41 89.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.222 -0.899 . . . . 25.0 112.386 -172.135 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -103.5 19.09 20.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.723 -0.672 . . . . 25.0 111.911 -177.285 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -88.09 41.41 1.0 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.81 0.67 . . . . 25.0 112.81 -174.638 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.98 139.76 80.09 Favored Pre-proline 0 C--N 1.322 -0.607 0 N-CA-C 109.608 -0.516 . . . . 25.0 109.608 177.902 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -79.63 -1.39 11.44 Favored 'Trans proline' 0 CA--C 1.534 0.518 0 CA-C-O 121.549 0.562 . . . . 25.0 111.613 176.56 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 149.94 127.61 1.52 Allowed Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 106.083 -2.807 . . . . 25.0 106.083 -178.59 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.94 138.15 22.25 Favored 'Isoleucine or valine' 0 C--O 1.242 0.668 0 CA-C-O 121.821 0.819 . . . . 25.0 110.925 -176.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 80.7 p -63.1 137.06 58.12 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.281 -179.403 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 90.14 -1.0 79.48 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 121.149 -0.548 . . . . 25.0 114.199 178.508 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -59.75 145.16 46.18 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 117.294 0.547 . . . . 25.0 110.659 178.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.9 m 50.92 33.01 8.05 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.17 1.545 . . . . 25.0 115.17 178.153 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -61.16 125.08 22.44 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 122.168 -0.332 . . . . 25.0 110.798 178.765 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 57.2 t60 -93.66 -68.72 0.79 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.41 -0.589 . . . . 25.0 109.41 174.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -63.46 -26.37 68.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.252 0.548 . . . . 25.0 111.395 178.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -60.05 -29.83 68.98 Favored Glycine 0 C--O 1.219 -0.801 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.101 178.203 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -62.97 -36.05 82.2 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 122.201 -0.588 . . . . 25.0 110.913 179.221 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -69.63 -32.93 71.92 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 -179.51 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.35 -47.79 46.88 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.769 -0.651 . . . . 25.0 109.811 178.334 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.17 -33.91 75.33 Favored 'General case' 0 C--O 1.219 -0.511 0 C-N-CA 120.632 -0.427 . . . . 25.0 111.835 -176.886 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -67.3 -28.6 68.14 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.076 -0.649 . . . . 25.0 110.645 177.659 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -74.02 -38.01 48.81 Favored Glycine 0 N--CA 1.448 -0.513 0 N-CA-C 108.474 -1.85 . . . . 25.0 108.474 176.452 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.03 -37.55 64.23 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 120.942 0.401 . . . . 25.0 111.284 179.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -65.44 -43.2 91.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.083 0.468 . . . . 25.0 112.193 179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -69.72 -44.19 70.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.287 0.565 . . . . 25.0 110.618 -177.641 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.4 m -68.85 -26.52 32.88 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 116.284 -0.417 . . . . 25.0 110.805 -178.763 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.09 -31.74 63.5 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.969 0.359 . . . . 25.0 111.969 -179.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.5 91.3 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 110.057 -0.349 . . . . 25.0 110.057 177.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.64 -36.87 68.12 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.114 -0.328 . . . . 25.0 110.114 176.805 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.432 ' HA ' HG12 ' A' ' 476' ' ' VAL . 67.5 mm-40 -66.02 -46.56 77.46 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.216 0.45 . . . . 25.0 112.216 -178.776 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.31 -27.78 69.56 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.417 -0.513 . . . . 25.0 109.647 178.727 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.99 -51.71 17.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.932 -0.577 . . . . 25.0 110.751 177.086 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.4 p -63.37 -35.96 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 118.749 0.704 . . . . 25.0 109.495 -176.098 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -62.76 -35.97 81.56 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.349 178.27 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.06 -44.39 91.83 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.318 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.6 mt -70.75 -35.54 61.01 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.541 0 N-CA-C 109.788 -0.449 . . . . 25.0 109.788 -179.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.11 -26.93 65.12 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.412 0.625 . . . . 25.0 109.951 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -78.67 -42.76 27.73 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.611 -0.514 . . . . 25.0 109.611 176.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.3 mtm -61.21 -27.16 68.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.984 0.421 . . . . 25.0 111.485 179.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.7 p -78.8 -17.93 54.93 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 119.962 -0.695 . . . . 25.0 111.99 -176.49 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -102.81 -35.02 8.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.778 -0.192 . . . . 25.0 110.808 176.056 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -68.98 -24.65 64.26 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.96 -0.756 . . . . 25.0 108.96 176.039 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -72.93 3.63 27.35 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 121.516 -0.373 . . . . 25.0 113.057 176.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -108.54 4.97 24.69 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.572 -0.899 . . . . 25.0 108.572 176.377 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 63.34 -70.74 0.06 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.758 1.623 . . . . 25.0 114.836 -179.38 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 78.05 -52.68 3.69 Favored Glycine 0 CA--C 1.52 0.395 0 CA-C-O 121.928 0.738 . . . . 25.0 112.579 -178.023 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.211 -0.964 0 CA-C-O 123.634 1.683 . . . . 25.0 113.499 179.313 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 122.607 1.115 . . . . 25.0 113.12 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 16.7 m 52.66 26.97 4.76 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.768 1.395 . . . . 25.0 114.768 178.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -89.51 74.28 7.71 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 106.362 -1.718 . . . . 25.0 106.362 178.084 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 19.6 m 66.46 -177.07 0.19 Allowed 'General case' 0 N--CA 1.469 0.475 0 O-C-N 124.89 1.369 . . . . 25.0 107.92 -173.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -159.79 156.39 27.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.914 -0.402 . . . . 25.0 109.914 -177.024 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 35.7 m -91.68 33.67 1.01 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.92 0.488 . . . . 25.0 110.304 178.191 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 64.66 -41.64 0.28 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 115.902 1.816 . . . . 25.0 115.902 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -63.41 -28.2 71.99 Favored Glycine 0 C--O 1.221 -0.71 0 N-CA-C 111.489 -0.644 . . . . 25.0 111.489 178.545 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -59.99 -40.65 89.87 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-O 121.423 0.63 . . . . 25.0 109.9 178.731 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 55.2 t -72.43 -36.27 54.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.072 -0.513 . . . . 25.0 109.617 -178.55 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.7 m -65.49 -40.34 92.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.541 -0.3 . . . . 25.0 111.581 179.251 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.23 -35.52 66.3 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.461 0.648 . . . . 25.0 109.412 179.675 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 61.5 ttp -63.3 -37.89 89.01 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.04 179.482 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.18 -30.4 71.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.037 0.446 . . . . 25.0 110.307 178.266 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.15 -34.82 71.34 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 178.046 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 64.0 t -66.34 -42.75 91.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 177.663 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.44 -44.83 92.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.305 0.574 . . . . 25.0 109.584 178.021 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.38 -38.15 89.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 121.95 -0.469 . . . . 25.0 110.721 179.234 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.2 -46.2 88.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.306 -0.407 . . . . 25.0 111.953 -178.274 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -68.1 -32.11 72.19 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 119.372 -0.931 . . . . 25.0 110.254 -178.758 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 73.3 mt -66.18 -44.43 84.05 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.768 -0.373 . . . . 25.0 110.526 178.429 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -73.69 -32.25 63.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.691 -0.804 . . . . 25.0 111.459 178.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 61.5 mtm -64.4 -37.99 89.44 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 177.665 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 73.0 m -61.69 -37.21 83.29 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 176.719 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -65.87 -46.97 76.47 Favored 'General case' 0 C--O 1.22 -0.461 0 O-C-N 121.415 -0.803 . . . . 25.0 109.101 177.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -45.94 89.92 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 -177.841 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.88 -37.72 78.89 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 C-N-CA 120.492 -0.483 . . . . 25.0 112.124 -179.708 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.2 mt -68.12 -36.96 80.57 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 121.82 -0.55 . . . . 25.0 111.474 178.624 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -70.89 -36.84 72.91 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 121.239 -0.184 . . . . 25.0 111.008 179.649 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.76 -25.1 53.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.953 0.406 . . . . 25.0 111.324 179.512 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 80.11 -160.93 44.91 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 108.582 -1.807 . . . . 25.0 108.582 -176.551 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -148.2 176.07 10.54 Favored 'General case' 0 N--CA 1.44 -0.967 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -132.52 159.43 39.46 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.487 -1.688 . . . . 25.0 109.174 -173.786 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -136.62 26.56 3.09 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.239 -0.652 . . . . 25.0 109.239 179.494 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.29 -17.17 61.89 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.886 -0.597 . . . . 25.0 110.622 -176.541 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -93.44 18.93 8.98 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 121.296 0.569 . . . . 25.0 110.92 -179.017 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -90.95 17.14 8.25 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.295 0.85 . . . . 25.0 113.295 -176.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -65.74 141.29 97.69 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.769 -0.651 . . . . 25.0 110.599 -179.915 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.63 135.53 24.14 Favored 'Trans proline' 0 C--N 1.345 0.382 0 N-CA-C 114.516 0.929 . . . . 25.0 114.516 -176.878 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -125.05 39.06 2.16 Favored Glycine 0 C--O 1.225 -0.412 0 CA-C-N 114.906 -1.043 . . . . 25.0 113.898 -179.761 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.4 -29.74 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-O 120.785 0.326 . . . . 25.0 111.336 -178.258 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 2.8 t 55.68 -148.5 0.48 Allowed 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.313 0.857 . . . . 25.0 113.313 176.951 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -171.12 176.31 44.5 Favored Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 108.456 -1.858 . . . . 25.0 108.456 -179.472 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.37 89.63 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 117.692 0.746 . . . . 25.0 112.355 -178.593 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 19.7 m -83.77 64.56 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.833 0.349 . . . . 25.0 111.191 -179.283 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -144.74 146.92 32.4 Favored 'General case' 0 C--O 1.216 -0.69 0 CA-C-N 116.628 -0.26 . . . . 25.0 111.265 -177.523 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -105.68 -60.58 1.61 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.604 0.716 . . . . 25.0 109.365 172.267 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -62.96 -30.97 71.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.395 0.617 . . . . 25.0 111.741 -179.092 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -62.92 -31.39 80.38 Favored Glycine 0 C--O 1.221 -0.71 0 CA-C-N 115.738 -0.665 . . . . 25.0 111.866 178.755 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -66.43 -37.53 85.39 Favored 'General case' 0 C--O 1.215 -0.717 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 179.376 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -68.42 -35.9 78.3 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.649 -0.5 . . . . 25.0 109.649 179.11 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.17 -44.01 93.38 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.667 -0.494 . . . . 25.0 109.667 177.693 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.35 -37.52 85.52 Favored 'General case' 0 C--O 1.213 -0.827 0 C-N-CA 120.651 -0.42 . . . . 25.0 110.277 179.28 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.02 -33.93 72.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 119.008 0.822 . . . . 25.0 110.498 175.439 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -66.28 -48.66 62.51 Favored Glycine 0 C--O 1.216 -1.029 0 N-CA-C 108.117 -1.993 . . . . 25.0 108.117 176.047 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.89 -38.09 64.43 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.214 0.45 . . . . 25.0 112.214 179.374 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -70.87 -41.23 71.66 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.052 0.453 . . . . 25.0 110.954 178.838 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.15 78.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.08 0.467 . . . . 25.0 110.56 -178.601 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 21.8 m -68.94 -26.45 32.5 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.033 0 N-CA-C 110.204 -0.295 . . . . 25.0 110.204 -179.604 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.98 -33.38 67.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 118.297 0.498 . . . . 25.0 110.733 179.109 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.53 -37.76 87.68 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 109.84 -0.43 . . . . 25.0 109.84 177.352 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.83 -33.5 66.21 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 116.651 -0.249 . . . . 25.0 110.639 176.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.432 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.5 mm-40 -68.32 -46.03 71.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.016 0.436 . . . . 25.0 111.404 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -64.22 -26.72 68.63 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 178.021 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.41 -51.2 18.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.049 -0.523 . . . . 25.0 110.633 177.378 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.432 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.6 p -63.66 -35.47 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 118.758 0.708 . . . . 25.0 109.155 -176.863 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -62.6 -36.24 82.11 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.847 -0.615 . . . . 25.0 110.382 177.832 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.75 93.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.127 -0.358 . . . . 25.0 110.213 -179.931 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.67 -34.75 58.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 N-CA-C 109.642 -0.503 . . . . 25.0 109.642 -179.495 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.05 -27.0 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.38 0.61 . . . . 25.0 109.924 179.285 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.04 -42.21 27.04 Favored 'General case' 0 C--O 1.214 -0.785 0 N-CA-C 109.635 -0.506 . . . . 25.0 109.635 177.118 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.4 mtm -62.32 -29.76 70.67 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.877 0.37 . . . . 25.0 111.199 -179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.8 p -76.45 -34.54 58.72 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 119.441 -0.904 . . . . 25.0 110.184 -175.425 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -80.75 -32.42 35.6 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.356 -0.538 . . . . 25.0 110.471 175.703 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -66.44 -29.88 70.12 Favored 'General case' 0 C--N 1.33 -0.258 0 O-C-N 121.758 -0.589 . . . . 25.0 109.671 177.527 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -68.79 -9.06 58.55 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 121.25 -0.5 . . . . 25.0 112.761 177.316 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -116.01 -13.44 11.25 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.477 -0.425 . . . . 25.0 111.196 177.376 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -152.22 85.84 1.28 Allowed 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.063 -0.717 . . . . 25.0 109.063 -178.96 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -63.79 -21.32 65.16 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-O 122.252 0.918 . . . . 25.0 113.073 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 55.5 m . . . . . 0 C--O 1.211 -0.941 0 CA-C-O 123.916 1.817 . . . . 25.0 109.93 178.901 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.663 0 CA-C-O 123.854 1.808 . . . . 25.0 110.438 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 8.3 t 55.22 33.04 19.76 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 111.543 -2.328 . . . . 25.0 110.523 -179.427 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -143.07 -16.88 0.67 Allowed 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 113.465 0.913 . . . . 25.0 113.465 -177.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 15.0 m -89.84 -23.88 21.57 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 121.009 0.433 . . . . 25.0 110.343 -179.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -165.83 156.83 13.54 Favored 'General case' 0 C--O 1.24 0.598 0 N-CA-C 106.352 -1.722 . . . . 25.0 106.352 179.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.9 m -95.51 35.78 1.31 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 123.13 0.572 . . . . 25.0 112.406 178.795 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.5 mm? 63.18 -57.34 0.17 Allowed 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 117.632 2.456 . . . . 25.0 117.632 176.865 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.27 -26.45 72.59 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 109.994 -1.242 . . . . 25.0 109.994 179.237 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.17 -32.51 73.13 Favored 'General case' 0 C--O 1.209 -1.077 0 CA-C-N 114.738 -0.731 . . . . 25.0 110.872 178.027 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 48.5 t -66.0 -34.77 72.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.216 0.532 . . . . 25.0 109.955 -179.18 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.1 m -70.36 -37.21 74.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 122.002 -0.436 . . . . 25.0 110.763 178.676 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -73.23 -33.41 65.32 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-O 121.598 0.713 . . . . 25.0 109.249 179.43 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.1 mtp -60.24 -33.2 71.94 Favored 'General case' 0 C--O 1.219 -0.539 0 CA-C-N 115.98 -0.555 . . . . 25.0 111.495 179.729 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.08 -30.44 70.49 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.271 0.557 . . . . 25.0 110.237 179.49 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.62 60.36 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 177.797 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.39 -44.51 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 177.379 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -55.88 -46.53 78.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.944 0.402 . . . . 25.0 110.35 178.721 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.25 -42.03 99.13 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.986 -0.446 . . . . 25.0 110.954 -179.389 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.7 72.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.937 -178.353 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -69.25 -31.29 69.74 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.942 -0.703 . . . . 25.0 109.473 -178.337 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 19.9 mt -64.44 -43.45 94.24 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.429 -0.508 . . . . 25.0 110.702 177.929 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -71.95 -32.18 67.03 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 119.122 -1.031 . . . . 25.0 111.358 179.686 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.5 mtm -67.13 -37.65 84.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 174.793 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 92.2 m -61.34 -40.89 95.92 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.874 -0.417 . . . . 25.0 109.874 177.341 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -62.18 -43.15 99.47 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.491 0.662 . . . . 25.0 109.346 178.856 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -62.65 -46.58 87.57 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.071 -0.968 . . . . 25.0 113.26 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.9 m -72.04 -32.59 44.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.667 0.988 . . . . 25.0 113.667 -177.417 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.8 -17.16 63.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 111.958 0.355 . . . . 25.0 111.958 178.077 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 66.3 m170 -92.64 -3.32 55.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.74 0.305 . . . . 25.0 110.697 177.326 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -102.12 168.85 9.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 -179.961 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -163.03 108.27 0.34 Allowed Glycine 0 C--O 1.228 -0.273 0 C-N-CA 120.354 -0.927 . . . . 25.0 114.055 178.848 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -161.33 -172.12 3.27 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.203 -2.147 . . . . 25.0 105.203 177.121 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -133.39 163.7 28.77 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 107.389 -1.338 . . . . 25.0 107.389 -178.904 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -136.25 20.11 3.18 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.289 -1.374 . . . . 25.0 107.289 177.477 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -67.13 -35.54 79.95 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.049 -1.432 . . . . 25.0 110.041 -173.927 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -103.58 22.05 15.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.8 -1.091 . . . . 25.0 110.53 -177.458 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -114.61 45.86 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -172.398 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.16 140.56 97.94 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 108.932 -0.766 . . . . 25.0 108.932 176.403 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.31 -24.49 16.59 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 117.811 -0.993 . . . . 25.0 113.728 -178.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 72.33 -60.13 1.51 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 115.722 1.049 . . . . 25.0 115.722 179.25 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 56.6 t -75.9 127.71 37.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.388 0.613 . . . . 25.0 109.888 -177.768 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 77.8 p -148.21 161.4 41.55 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 104.837 -2.283 . . . . 25.0 104.837 177.24 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -83.56 -61.44 1.88 Allowed Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.202 -0.999 . . . . 25.0 113.663 -178.33 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 52.56 -154.51 0.2 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.057 0.543 . . . . 25.0 110.23 -177.449 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.9 t 37.6 42.09 0.34 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 116.57 2.063 . . . . 25.0 116.57 176.705 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -64.45 154.07 36.89 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 109.708 -0.479 . . . . 25.0 109.708 -179.567 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -100.01 -76.86 0.54 Allowed 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 109.581 -0.525 . . . . 25.0 109.581 175.404 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -64.52 -26.31 68.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.348 0.594 . . . . 25.0 111.323 178.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -59.68 -29.18 66.6 Favored Glycine 0 C--O 1.222 -0.631 0 CA-C-N 115.544 -0.753 . . . . 25.0 112.438 178.721 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -66.01 -39.89 90.63 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 117.768 0.784 . . . . 25.0 110.534 179.472 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -68.32 -34.94 77.03 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.073 -0.714 . . . . 25.0 109.073 -179.503 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.37 -41.98 93.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.086 177.35 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.1 -35.22 79.92 Favored 'General case' 0 C--O 1.216 -0.672 0 O-C-N 122.088 -0.382 . . . . 25.0 110.419 -180.0 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -59.03 -36.4 74.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 118.721 0.692 . . . . 25.0 110.332 176.58 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.21 -45.65 60.77 Favored Glycine 0 C--O 1.22 -0.728 0 N-CA-C 109.075 -1.61 . . . . 25.0 109.075 176.408 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.38 -39.33 67.09 Favored 'General case' 0 C--O 1.221 -0.439 0 C-N-CA 122.555 0.342 . . . . 25.0 111.78 179.679 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -65.76 -44.4 85.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.085 0.469 . . . . 25.0 111.21 178.913 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.94 82.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.007 0.432 . . . . 25.0 110.518 -178.167 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.5 m -70.01 -28.86 37.93 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.849 0 C-N-CA 120.812 -0.355 . . . . 25.0 110.974 -179.022 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.31 -34.3 68.59 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 118.306 0.503 . . . . 25.0 111.307 -179.694 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.8 82.35 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.159 -0.311 . . . . 25.0 110.159 177.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -74.46 -36.47 63.33 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.808 -0.178 . . . . 25.0 110.952 176.652 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 55.1 mm-40 -66.98 -46.06 75.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.188 0.518 . . . . 25.0 111.875 -178.741 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -63.41 -28.97 70.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 178.627 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.75 -51.42 22.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.704 -0.68 . . . . 25.0 111.046 177.765 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.29 -36.59 76.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 118.631 0.651 . . . . 25.0 109.387 -176.364 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.83 -35.98 82.39 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.208 -0.451 . . . . 25.0 110.407 178.119 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.98 90.94 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.611 -0.435 . . . . 25.0 110.501 -179.5 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.05 -35.41 53.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.636 -0.505 . . . . 25.0 109.636 -179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.83 65.5 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-O 121.403 0.62 . . . . 25.0 109.965 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 16.0 mt -76.76 -41.64 44.01 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 121.587 0.708 . . . . 25.0 109.338 177.843 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.7 mtm -63.46 -28.2 69.8 Favored 'General case' 0 C--N 1.318 -0.803 0 O-C-N 122.027 -0.421 . . . . 25.0 111.112 178.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.3 p -84.85 -8.5 58.76 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.452 0.538 . . . . 25.0 112.452 -177.142 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -108.82 -28.56 9.11 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 116.635 -0.257 . . . . 25.0 111.016 174.264 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -82.63 -25.47 33.12 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 118.336 0.516 . . . . 25.0 111.728 176.508 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 71.08 21.8 78.41 Favored Glycine 0 C--O 1.22 -0.744 0 C-N-CA 120.732 -0.747 . . . . 25.0 112.596 -179.622 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -105.35 28.76 7.05 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 122.389 -0.477 . . . . 25.0 112.198 -176.1 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -78.57 105.31 9.76 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.591 -1.262 . . . . 25.0 107.591 177.419 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -60.91 -36.38 92.01 Favored Glycine 0 C--O 1.223 -0.589 0 CA-C-O 121.787 0.66 . . . . 25.0 113.656 -178.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 C--O 1.207 -1.179 0 CA-C-O 124.127 1.918 . . . . 25.0 112.992 178.762 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.913 0 CA-C-O 125.414 2.674 . . . . 25.0 110.952 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 20.0 m -63.03 139.22 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 113.163 -1.519 . . . . 25.0 109.842 178.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 58.77 26.0 14.17 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.467 1.284 . . . . 25.0 114.467 179.347 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 65.9 p -74.63 140.99 44.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 174.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -158.74 163.53 36.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 179.091 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.64 116.26 27.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 122.276 1.036 . . . . 25.0 111.227 179.395 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.96 -33.22 73.89 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.323 -1.308 . . . . 25.0 112.044 -178.084 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.99 -35.06 88.86 Favored Glycine 0 C--O 1.22 -0.719 0 C-N-CA 120.614 -0.803 . . . . 25.0 112.843 -179.483 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -69.84 -38.6 76.57 Favored 'General case' 0 C--O 1.217 -0.616 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 179.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 94.2 t -70.49 -26.71 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.993 0.425 . . . . 25.0 109.968 178.71 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 51.3 m -66.26 -38.15 87.15 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.588 -0.695 . . . . 25.0 110.06 177.265 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -75.75 -32.99 60.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.9 0.857 . . . . 25.0 109.105 177.359 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 39.0 ttm -62.32 -33.61 75.01 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.676 -0.693 . . . . 25.0 109.955 178.87 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.29 70.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.606 -0.27 . . . . 25.0 110.879 178.744 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.11 -37.24 72.36 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.84 -0.8 . . . . 25.0 108.84 177.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.83 -43.72 85.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 177.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.12 -41.9 93.61 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.816 -0.439 . . . . 25.0 109.816 178.011 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.64 -39.33 93.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.376 -0.202 . . . . 25.0 110.736 179.444 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.73 -45.03 84.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.86 0.362 . . . . 25.0 110.299 179.396 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.59 -45.49 93.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.75 0.786 . . . . 25.0 109.401 179.502 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 50.7 mt -62.64 -46.35 88.63 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.41 -0.813 . . . . 25.0 111.783 179.905 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.81 -32.18 71.71 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 119.329 -0.948 . . . . 25.0 111.189 -177.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 63.6 mtm -66.36 -43.9 84.7 Favored 'General case' 0 CA--C 1.516 -0.361 0 N-CA-C 108.59 -0.893 . . . . 25.0 108.59 176.534 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 55.7 m -61.34 -40.31 93.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.179 0.514 . . . . 25.0 109.999 178.232 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -67.58 -39.13 84.88 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 120.955 -1.091 . . . . 25.0 110.081 178.333 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -61.82 -41.82 98.26 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 112.266 0.469 . . . . 25.0 112.266 -179.956 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.59 -32.98 30.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.608 0.595 . . . . 25.0 112.608 179.646 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.37 -39.04 74.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.625 -0.262 . . . . 25.0 111.535 176.812 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -75.76 -58.72 3.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.618 -0.882 . . . . 25.0 108.618 178.281 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . 46.57 -155.63 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 114.909 1.448 . . . . 25.0 114.909 178.748 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -91.55 -174.02 43.06 Favored Glycine 0 C--O 1.226 -0.362 0 N-CA-C 110.531 -1.028 . . . . 25.0 110.531 178.955 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -76.42 14.1 0.83 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? 47.26 -128.25 1.64 Allowed 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 123.99 0.916 . . . . 25.0 111.229 -178.466 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 61.3 tp60 -118.53 26.01 9.88 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.221 -1.4 . . . . 25.0 107.221 179.4 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 14.4 t0 62.63 -63.96 0.1 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.603 2.361 . . . . 25.0 114.079 -177.741 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -136.66 10.22 3.14 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 122.629 1.204 . . . . 25.0 111.327 178.83 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 54.99 19.28 2.62 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 115.887 1.81 . . . . 25.0 115.887 179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -75.92 148.55 81.93 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-N 116.054 -0.521 . . . . 25.0 109.834 178.629 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -80.87 -6.16 13.2 Favored 'Trans proline' 0 C--N 1.35 0.629 0 N-CA-C 113.515 0.544 . . . . 25.0 113.515 -179.381 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 174.79 169.48 36.78 Favored Glycine 0 N--CA 1.448 -0.564 1 N-CA-C 101.148 -4.781 . . . . 25.0 101.148 -178.789 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.04 106.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 119.256 1.528 . . . . 25.0 111.137 -176.801 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 17.2 m -81.46 -16.58 51.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.33 -0.85 . . . . 25.0 111.952 -177.611 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 131.26 -124.12 4.0 Favored Glycine 0 C--O 1.221 -0.671 0 N-CA-C 110.129 -1.188 . . . . 25.0 110.129 -178.284 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 56.95 18.14 3.75 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.3 p 62.96 178.87 0.15 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.827 1.251 . . . . 25.0 111.722 -177.022 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -78.51 87.33 4.49 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.552 -0.718 . . . . 25.0 111.179 -178.488 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -91.69 -76.75 0.44 Allowed 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 107.828 -1.175 . . . . 25.0 107.828 172.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -60.69 -30.91 70.23 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 122.362 1.077 . . . . 25.0 109.41 175.179 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -52.49 -28.88 30.03 Favored Glycine 0 C--O 1.221 -0.658 0 CA-C-N 113.972 -1.467 . . . . 25.0 114.078 178.053 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -61.12 -39.9 91.76 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 118.317 1.058 . . . . 25.0 111.589 -179.805 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 27.5 mmt85 -68.03 -38.64 82.76 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 -178.156 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -66.77 -41.92 86.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.432 -0.804 . . . . 25.0 110.892 179.128 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.47 -35.2 80.18 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 122.152 -0.342 . . . . 25.0 110.689 -178.73 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -59.47 -36.14 75.41 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.633 -0.827 . . . . 25.0 110.816 175.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.38 -47.15 64.91 Favored Glycine 0 C--O 1.219 -0.816 0 N-CA-C 108.072 -2.011 . . . . 25.0 108.072 175.855 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.09 -37.6 64.44 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 112.363 0.505 . . . . 25.0 112.363 179.442 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -72.06 -40.55 68.24 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 121.834 -0.541 . . . . 25.0 111.249 178.653 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.34 -45.06 85.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.184 0.516 . . . . 25.0 109.791 -179.459 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.7 m -69.65 -28.37 37.2 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-N 116.439 -0.346 . . . . 25.0 110.438 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.98 -29.24 65.07 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.97 0.35 . . . . 25.0 111.421 179.86 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.11 86.18 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 109.878 -0.416 . . . . 25.0 109.878 177.213 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -74.77 -34.35 62.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.692 0.282 . . . . 25.0 110.694 175.838 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.429 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.7 mm-40 -69.94 -45.13 68.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.118 0.485 . . . . 25.0 111.732 -177.534 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 52.1 ptt85 -63.19 -28.29 69.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 178.292 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.09 -51.72 17.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.589 -0.732 . . . . 25.0 110.783 178.509 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.429 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.5 p -63.17 -36.36 75.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 118.632 0.651 . . . . 25.0 109.447 -176.739 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 14.2 t-160 -63.06 -36.37 83.35 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.856 -0.611 . . . . 25.0 110.427 177.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.36 93.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.597 -0.441 . . . . 25.0 110.354 -179.338 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.12 -34.68 55.76 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.526 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 -179.12 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.12 -26.93 65.13 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.328 0.585 . . . . 25.0 109.744 179.492 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.5 mt -79.98 -42.08 24.62 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-O 121.276 0.56 . . . . 25.0 109.861 177.041 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.3 mtm -62.25 -27.18 68.83 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-N 116.347 -0.388 . . . . 25.0 111.842 -179.983 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.7 p -79.25 -36.06 40.53 Favored 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 119.152 -1.019 . . . . 25.0 110.014 -176.401 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -79.93 -29.05 39.66 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.416 -0.514 . . . . 25.0 111.009 177.76 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -79.23 -31.7 43.67 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 118.42 0.555 . . . . 25.0 110.885 177.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -71.77 -19.52 78.12 Favored Glycine 0 C--O 1.228 -0.273 0 N-CA-C 111.959 -0.457 . . . . 25.0 111.959 178.647 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 49.6 33.82 6.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.62 1.168 . . . . 25.0 113.457 177.012 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -141.1 153.45 45.44 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.742 -1.207 . . . . 25.0 107.742 -178.506 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 79.19 -60.45 4.24 Favored Glycine 0 C--O 1.226 -0.386 0 N-CA-C 111.621 -0.592 . . . . 25.0 111.621 -178.762 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 C--O 1.209 -1.055 0 CA-C-O 123.903 1.811 . . . . 25.0 111.203 -179.393 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.849 0 CA-C-O 123.921 1.845 . . . . 25.0 111.209 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 41.7 p -70.77 14.66 0.13 Allowed 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 112.752 -1.724 . . . . 25.0 114.447 -176.457 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -149.36 32.74 0.72 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.581 -1.266 . . . . 25.0 107.581 177.732 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 20.4 m -146.19 -179.16 6.54 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.231 -0.895 . . . . 25.0 110.068 -177.747 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -76.4 52.23 0.76 Allowed 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.773 1.027 . . . . 25.0 113.773 -178.674 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 7.5 t -85.85 25.59 1.09 Allowed 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.724 -0.61 . . . . 25.0 111.838 -178.865 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 63.37 -46.79 0.23 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 116.908 2.188 . . . . 25.0 116.908 178.118 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.15 -43.53 95.4 Favored Glycine 0 C--O 1.222 -0.617 0 N-CA-C 109.584 -1.406 . . . . 25.0 109.584 177.721 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.32 -37.67 84.1 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 121.867 0.842 . . . . 25.0 110.206 179.035 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 17.3 t -69.6 -34.23 60.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.593 -0.731 . . . . 25.0 109.913 -178.128 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.2 m -69.59 -37.1 76.78 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.784 -0.45 . . . . 25.0 109.784 178.707 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.35 -32.04 68.07 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 178.448 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 3.0 tpp -59.74 -33.62 71.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.948 0.404 . . . . 25.0 110.534 178.482 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -67.54 -31.69 71.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.915 0.388 . . . . 25.0 110.337 178.321 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -73.22 -36.74 66.54 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.049 -0.723 . . . . 25.0 109.049 178.082 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 84.9 t -63.84 -44.39 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 177.404 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.59 -46.12 87.64 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.958 0.408 . . . . 25.0 109.942 178.0 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.43 -38.13 88.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.231 -0.293 . . . . 25.0 110.723 179.997 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.67 -44.4 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.691 179.593 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.36 -43.45 98.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.84 0.829 . . . . 25.0 109.964 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.09 -42.59 98.79 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.361 -0.836 . . . . 25.0 111.086 178.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -72.83 -32.23 65.35 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 119.815 -0.754 . . . . 25.0 111.079 179.051 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 3.1 tpp -62.89 -46.23 88.79 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 177.028 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 32.2 m -59.16 -44.83 92.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.54 0.57 . . . . 25.0 112.54 -177.564 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -67.3 -31.1 71.16 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.23 -0.919 . . . . 25.0 109.787 179.376 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -72.34 -44.42 62.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.478 0.918 . . . . 25.0 113.478 178.981 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.9 m -66.78 -32.61 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 N-CA-C 113.407 0.892 . . . . 25.0 113.407 -177.065 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.15 -23.47 63.96 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 179.159 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -97.45 -6.56 33.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.202 0.445 . . . . 25.0 112.202 -179.278 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -110.63 165.17 12.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -173.169 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 91.48 -176.44 39.98 Favored Glycine 0 C--O 1.227 -0.288 0 CA-C-N 114.959 -1.018 . . . . 25.0 112.66 177.845 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -140.47 84.5 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.177 -0.675 . . . . 25.0 109.177 179.248 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -117.56 151.02 38.0 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.647 -1.242 . . . . 25.0 107.647 179.512 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -135.29 26.96 3.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.92 0.391 . . . . 25.0 111.369 -177.634 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -56.79 -30.98 64.21 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.831 -0.622 . . . . 25.0 112.324 -178.05 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -120.36 18.96 12.16 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.735 0.779 . . . . 25.0 110.357 -178.797 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -119.77 46.37 1.95 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.721 -0.672 . . . . 25.0 111.555 -173.672 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -62.18 136.62 95.52 Favored Pre-proline 0 C--N 1.324 -0.524 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 176.237 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -76.2 -5.89 16.69 Favored 'Trans proline' 0 C--N 1.345 0.359 0 CA-C-O 121.009 0.337 . . . . 25.0 112.884 179.848 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -159.86 77.52 0.18 Allowed Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 109.683 -1.367 . . . . 25.0 109.683 -179.956 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 81.8 t -55.91 127.58 15.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 -179.343 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 69.9 m -124.7 171.92 9.69 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.793 -0.64 . . . . 25.0 111.594 -174.953 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 88.07 -52.9 4.17 Favored Glycine 0 C--O 1.229 -0.212 0 CA-C-N 116.195 -0.457 . . . . 25.0 112.332 179.281 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -144.67 135.6 24.93 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.792 -0.448 . . . . 25.0 109.792 178.655 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 7.9 m -85.94 -0.84 56.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.101 0.408 . . . . 25.0 112.101 179.29 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 64.28 160.36 0.1 Allowed 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.051 1.34 . . . . 25.0 113.572 -178.361 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -105.72 -76.74 0.6 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 121.186 0.517 . . . . 25.0 109.875 174.779 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -68.69 -25.69 64.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.479 0.657 . . . . 25.0 111.074 177.677 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.51 -31.58 63.48 Favored Glycine 0 C--O 1.218 -0.884 0 CA-C-N 115.196 -0.911 . . . . 25.0 112.432 178.759 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -62.14 -34.48 76.45 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.156 -0.614 . . . . 25.0 111.444 179.644 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -76.21 -35.62 58.98 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.642 -0.662 . . . . 25.0 109.461 178.187 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -64.45 -42.54 95.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.43 -0.35 . . . . 25.0 110.515 178.704 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -34.31 77.79 Favored 'General case' 0 C--O 1.211 -0.923 0 O-C-N 122.138 -0.351 . . . . 25.0 110.441 179.422 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -61.6 -31.38 71.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.443 -0.786 . . . . 25.0 110.422 176.68 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.55 46.93 Favored Glycine 0 C--O 1.217 -0.952 0 N-CA-C 108.303 -1.919 . . . . 25.0 108.303 175.089 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.55 -39.51 67.79 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-O 120.966 0.412 . . . . 25.0 111.358 179.161 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -65.65 -43.17 90.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.197 0.523 . . . . 25.0 111.247 178.462 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.27 79.17 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.964 0.412 . . . . 25.0 110.612 -178.251 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.5 m -69.71 -29.71 42.09 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.889 0 C-N-CA 120.836 -0.346 . . . . 25.0 110.149 -179.562 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.93 65.48 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 118.127 0.421 . . . . 25.0 111.632 -179.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.91 -38.24 90.32 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 109.703 -0.48 . . . . 25.0 109.703 177.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -34.55 67.25 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-O 120.638 0.256 . . . . 25.0 110.512 176.548 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.445 ' HA ' HG12 ' A' ' 476' ' ' VAL . 54.2 mm-40 -67.93 -47.21 69.36 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.864 0.364 . . . . 25.0 111.966 -179.2 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.15 -26.31 68.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 178.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.26 -52.2 13.06 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.675 -0.693 . . . . 25.0 110.732 177.108 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.6 p -63.94 -38.71 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 118.788 0.722 . . . . 25.0 110.034 -175.658 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -64.71 -30.62 71.64 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 116.325 -0.398 . . . . 25.0 110.099 179.097 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.9 96.64 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.287 -0.565 . . . . 25.0 110.077 179.875 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.15 -32.92 49.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -178.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.84 -27.98 65.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 178.656 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.9 mt -81.19 -43.11 19.79 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 121.081 0.467 . . . . 25.0 110.493 176.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.0 mtm -61.66 -24.96 67.08 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 112.166 0.432 . . . . 25.0 112.166 -179.095 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 19.0 p -79.89 -36.4 36.56 Favored 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 119.306 -0.958 . . . . 25.0 110.01 -176.148 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -79.87 -31.48 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.587 -0.445 . . . . 25.0 110.787 176.786 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -77.85 -23.55 48.86 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 121.881 -0.512 . . . . 25.0 110.82 178.34 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -74.68 -12.17 82.82 Favored Glycine 0 C--O 1.227 -0.287 0 C-N-CA 121.448 -0.406 . . . . 25.0 112.535 178.654 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 43.94 45.59 6.53 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.457 1.103 . . . . 25.0 113.195 177.38 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -64.5 158.73 23.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.43 -0.805 . . . . 25.0 111.185 -178.235 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 145.75 -35.1 1.43 Allowed Glycine 0 C--O 1.223 -0.533 0 N-CA-C 109.2 -1.56 . . . . 25.0 109.2 -178.887 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.211 -0.961 0 CA-C-O 124.71 2.195 . . . . 25.0 111.389 177.501 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.915 0 CA-C-O 124.654 2.252 . . . . 25.0 111.191 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 32.8 t -146.67 157.28 43.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 112.931 -1.634 . . . . 25.0 108.467 -179.424 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -148.07 154.69 40.56 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 107.252 -1.388 . . . . 25.0 107.252 -178.78 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 6.5 t 53.76 43.73 30.62 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 123.996 0.81 . . . . 25.0 112.848 179.381 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -112.08 -5.6 14.25 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.259 -0.428 . . . . 25.0 111.797 -179.407 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 6.9 t 50.49 -157.87 0.09 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.572 0.749 . . . . 25.0 112.996 179.286 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -129.77 -31.61 1.96 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 -179.358 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.54 -43.42 61.1 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 108.558 -1.817 . . . . 25.0 108.558 176.114 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -64.16 -25.34 68.04 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 120.731 0.301 . . . . 25.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 85.2 t -67.69 -31.87 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 O-C-N 121.688 -0.633 . . . . 25.0 109.496 177.447 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 38.3 m -70.73 -36.06 73.0 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 178.261 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -72.97 -30.51 63.89 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.476 -0.565 . . . . 25.0 109.476 178.889 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.2 tpp -61.08 -31.56 71.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.399 -0.364 . . . . 25.0 110.999 179.332 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.71 -32.11 73.64 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.069 0.462 . . . . 25.0 110.295 178.754 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -72.92 -35.72 67.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.919 -0.771 . . . . 25.0 108.919 178.244 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.72 -42.53 92.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 178.174 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.18 -45.84 79.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.811 -0.441 . . . . 25.0 109.811 178.211 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -67.43 -39.26 85.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.648 -0.251 . . . . 25.0 111.306 179.666 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -63.57 -44.54 93.82 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-N 116.412 -0.358 . . . . 25.0 111.03 -178.605 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -63.61 -41.61 98.3 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.757 0.789 . . . . 25.0 110.298 -179.323 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 67.7 mt -60.94 -44.18 97.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.417 -0.81 . . . . 25.0 111.411 178.884 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -73.57 -31.8 63.81 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.703 -0.799 . . . . 25.0 110.962 178.002 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 7.4 tpp -60.63 -42.15 96.31 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.748 -0.834 . . . . 25.0 108.748 177.263 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 38.5 m -61.81 -37.37 84.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.068 178.704 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -67.97 -44.44 76.7 Favored 'General case' 0 C--O 1.214 -0.808 0 C-N-CA 119.534 -0.866 . . . . 25.0 109.555 177.193 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -61.06 -40.66 94.49 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 113.59 0.959 . . . . 25.0 113.59 -178.334 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.7 m -67.7 -33.33 61.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.352 -0.539 . . . . 25.0 111.365 178.62 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 85.8 mt -76.82 -23.34 52.77 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.035 0.383 . . . . 25.0 112.035 177.225 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -80.0 -15.25 57.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.988 0.423 . . . . 25.0 109.866 177.474 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -106.9 168.07 9.45 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.594 -0.891 . . . . 25.0 108.594 -178.598 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 143.72 -131.92 4.69 Favored Glycine 0 CA--C 1.509 -0.298 0 C-N-CA 120.235 -0.983 . . . . 25.0 113.85 177.723 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -136.16 -112.17 0.19 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.258 1.028 . . . . 25.0 108.87 -178.068 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . 0.478 ' C ' ' H ' ' A' ' 445' ' ' ASP . 67.7 mtp180 -62.39 107.61 0.95 Allowed 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 114.148 -1.387 . . . . 25.0 110.562 176.555 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -85.01 23.84 1.16 Allowed 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 107.882 -1.155 . . . . 25.0 107.882 172.744 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . 0.478 ' H ' ' C ' ' A' ' 443' ' ' ARG . 8.6 t0 -72.4 -21.01 61.34 Favored 'General case' 0 C--O 1.218 -0.587 0 CA-C-N 113.988 -1.46 . . . . 25.0 111.812 -175.142 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -133.02 41.24 3.16 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 107.158 -1.423 . . . . 25.0 107.158 -178.736 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -117.03 53.87 0.89 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 107.601 -1.259 . . . . 25.0 107.601 -176.112 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.08 132.5 59.45 Favored Pre-proline 0 CA--C 1.544 0.719 0 CA-C-N 115.176 -0.92 . . . . 25.0 110.88 179.781 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -76.91 119.15 5.0 Favored 'Trans proline' 0 C--N 1.347 0.484 0 N-CA-C 115.583 1.34 . . . . 25.0 115.583 -175.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -174.27 63.14 0.12 Allowed Glycine 0 C--O 1.22 -0.724 0 CA-C-N 115.443 -0.799 . . . . 25.0 111.836 179.099 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 40.5 t -51.5 -46.9 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 -175.606 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 5.1 m 47.61 32.48 2.5 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.386 1.624 . . . . 25.0 115.386 176.46 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -76.2 165.25 53.94 Favored Glycine 0 CA--C 1.516 0.152 0 N-CA-C 115.195 0.838 . . . . 25.0 115.195 -175.808 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -138.95 -179.97 6.14 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.223 -1.769 . . . . 25.0 106.223 179.391 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.6 t -146.66 176.88 9.51 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 -179.631 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -57.89 133.58 55.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.163 0.506 . . . . 25.0 111.749 -177.983 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -103.69 -54.41 2.58 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 174.875 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 52.0 m95 -66.74 -31.73 72.56 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -178.103 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.55 -33.8 88.23 Favored Glycine 0 C--O 1.222 -0.631 0 N-CA-C 110.837 -0.905 . . . . 25.0 110.837 176.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -69.46 -40.3 77.23 Favored 'General case' 0 C--O 1.22 -0.468 0 O-C-N 121.855 -0.791 . . . . 25.0 109.561 178.804 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 76.7 mmt-85 -64.41 -35.4 80.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 178.21 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.25 -40.7 86.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.344 -0.389 . . . . 25.0 110.514 178.318 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.6 -34.55 78.54 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.513 -0.475 . . . . 25.0 110.236 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -59.38 -34.17 72.1 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.732 -0.605 . . . . 25.0 110.97 176.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.97 -42.77 36.29 Favored Glycine 0 C--O 1.223 -0.536 0 N-CA-C 108.935 -1.666 . . . . 25.0 108.935 176.243 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.17 -39.11 69.15 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 120.896 0.379 . . . . 25.0 111.307 179.671 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -63.67 -45.59 89.4 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.196 0.522 . . . . 25.0 111.295 178.427 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.33 -44.69 82.63 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.255 -0.429 . . . . 25.0 110.731 -177.891 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.0 m -69.69 -31.3 48.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.76 0 C-N-CA 120.541 -0.464 . . . . 25.0 110.514 -178.969 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.48 -34.63 69.24 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 118.266 0.484 . . . . 25.0 111.492 -179.358 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.64 88.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.903 -0.406 . . . . 25.0 109.903 177.904 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.76 -34.8 67.24 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.361 -0.212 . . . . 25.0 110.649 177.11 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.431 ' HA ' HG12 ' A' ' 476' ' ' VAL . 41.0 mm-40 -68.9 -45.05 71.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.959 -0.463 . . . . 25.0 112.035 -178.439 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -64.06 -26.76 68.7 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 178.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -52.7 10.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.41 -0.814 . . . . 25.0 111.147 178.046 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.431 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.4 p -63.07 -36.69 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-N 118.57 0.623 . . . . 25.0 110.146 -175.235 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -63.36 -35.18 79.53 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 116.149 -0.478 . . . . 25.0 110.282 178.549 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.41 -44.84 95.33 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.495 -0.482 . . . . 25.0 110.239 -179.353 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -70.69 -35.08 59.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.463 0 C-N-CA 120.61 -0.436 . . . . 25.0 109.848 -178.874 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.11 -26.92 63.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.31 0.576 . . . . 25.0 109.922 179.459 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.35 -43.89 18.4 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-O 120.931 0.396 . . . . 25.0 110.018 177.117 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 46.2 mtm -59.76 -29.01 67.88 Favored 'General case' 0 CA--C 1.502 -0.881 0 CA-C-O 120.842 0.353 . . . . 25.0 111.61 -179.3 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.5 p -76.36 -37.19 57.61 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 119.093 -1.043 . . . . 25.0 109.765 -175.999 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -86.13 -19.07 30.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.488 0.921 . . . . 25.0 113.488 179.291 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -87.63 -36.41 17.5 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 118.302 0.501 . . . . 25.0 111.185 175.403 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -85.18 -37.31 10.01 Favored Glycine 0 C--O 1.223 -0.541 0 C-N-CA 120.894 -0.669 . . . . 25.0 113.096 -176.631 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 53.53 8.08 0.12 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 117.057 2.243 . . . . 25.0 117.057 177.871 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -79.86 55.46 2.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.545 0.738 . . . . 25.0 110.828 179.021 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -81.42 59.65 4.79 Favored Glycine 0 C--O 1.223 -0.568 0 CA-C-N 116.535 -0.302 . . . . 25.0 112.734 -178.17 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.209 -1.04 0 CA-C-O 123.139 1.447 . . . . 25.0 111.501 -178.597 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . 0.647 ' N ' ' HG ' ' A' ' 416' ' ' SER . . . . . . . . 0 N--CA 1.492 2.406 0 CA-C-O 122.717 1.176 . . . . 25.0 112.38 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 32.0 t -68.39 -9.75 50.4 Favored 'General case' 0 N--CA 1.472 0.659 0 O-C-N 121.003 -1.292 . . . . 25.0 112.077 179.407 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -155.85 160.75 40.46 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 104.341 -2.466 . . . . 25.0 104.341 178.024 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 5.3 p 48.28 -113.13 0.53 Allowed 'General case' 0 N--CA 1.473 0.69 0 O-C-N 124.075 0.86 . . . . 25.0 110.89 -179.341 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -157.21 169.55 24.51 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 -179.56 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.647 ' HG ' ' N ' ' A' ' 411' ' ' GLY . 49.7 m -128.59 143.77 51.02 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 105.326 -2.101 . . . . 25.0 105.326 176.007 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.25 -33.62 72.55 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 114.958 1.466 . . . . 25.0 114.958 -169.948 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.18 -41.5 96.9 Favored Glycine 0 C--O 1.225 -0.45 0 C-N-CA 120.056 -1.069 . . . . 25.0 110.571 178.113 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.85 -37.98 76.31 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 110.199 -0.297 . . . . 25.0 110.199 -179.21 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 62.9 t -61.46 -35.48 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-O 121.001 0.429 . . . . 25.0 110.396 178.092 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 47.3 m -64.65 -40.48 95.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 121.953 -0.467 . . . . 25.0 110.717 179.773 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -75.74 -30.39 59.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.401 0.62 . . . . 25.0 110.263 178.796 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 62.7 ttp -62.73 -42.71 99.8 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 109.304 -0.628 . . . . 25.0 109.304 178.484 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.11 -33.06 75.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.243 0.544 . . . . 25.0 110.472 178.82 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.82 -44.69 66.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.396 -0.366 . . . . 25.0 111.09 -179.423 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.8 p -71.64 -33.31 48.53 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.619 0 O-C-N 122.32 -0.237 . . . . 25.0 110.564 -179.34 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -57.83 -43.86 86.09 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.223 -0.658 . . . . 25.0 109.223 175.377 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -66.06 -36.16 82.48 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.756 0.312 . . . . 25.0 110.864 178.562 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.58 87.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.699 0.285 . . . . 25.0 110.305 179.265 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -62.8 -44.07 97.13 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 109.039 -0.726 . . . . 25.0 109.039 178.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 55.2 mt -60.02 -43.28 95.37 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.989 -0.55 . . . . 25.0 112.188 179.339 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -73.41 -32.11 64.25 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.202 -0.999 . . . . 25.0 110.856 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 68.9 mtm -67.93 -32.05 72.23 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.524 -0.735 . . . . 25.0 110.697 175.918 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.8 m -56.16 -41.89 76.14 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 122.362 0.265 . . . . 25.0 111.344 -179.648 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.37 -27.0 64.95 Favored 'General case' 0 C--O 1.218 -0.577 0 C-N-CA 118.872 -1.131 . . . . 25.0 111.07 -178.675 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -72.66 -44.99 61.14 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.627 -0.429 . . . . 25.0 110.21 179.295 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.0 m -69.82 -31.71 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 -176.042 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 76.4 mt -69.27 -12.62 61.83 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 112.152 0.427 . . . . 25.0 112.152 176.691 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 61.8 m170 -109.42 -3.34 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.971 0.415 . . . . 25.0 110.571 178.599 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.9 145.02 38.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.087 0.47 . . . . 25.0 109.993 -178.309 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -171.33 -179.01 42.16 Favored Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 110.257 -1.137 . . . . 25.0 110.257 -179.44 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -95.92 -165.77 1.33 Allowed 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 106.803 -1.554 . . . . 25.0 106.803 179.388 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 64.72 -45.65 0.32 Allowed 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 117.492 2.404 . . . . 25.0 117.492 179.571 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 55.36 36.29 26.78 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.016 0.926 . . . . 25.0 111.73 179.024 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -32.16 73.39 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.666 -0.697 . . . . 25.0 111.238 -179.452 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -157.85 89.36 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 105.819 -1.919 . . . . 25.0 105.819 -178.446 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -132.93 42.58 3.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.163 -0.926 . . . . 25.0 109.772 177.814 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -73.02 142.56 82.89 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.776 -0.453 . . . . 25.0 109.776 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -75.95 150.46 34.21 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 CA-C-O 122.052 0.772 . . . . 25.0 112.746 -179.314 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -140.12 129.42 4.24 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 109.525 -1.43 . . . . 25.0 109.525 179.378 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 5.3 p -64.0 119.35 7.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 122.01 0.91 . . . . 25.0 108.662 179.886 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 20.8 m -104.22 40.12 1.52 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.561 -0.745 . . . . 25.0 111.613 -176.718 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 88.33 0.15 82.83 Favored Glycine 0 C--O 1.226 -0.376 0 C-N-CA 121.272 -0.49 . . . . 25.0 112.528 -178.016 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 65.53 -177.03 0.18 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.722 1.209 . . . . 25.0 112.408 -179.424 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 m -99.02 172.62 7.28 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.662 -0.699 . . . . 25.0 110.937 -177.712 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -61.16 157.24 16.45 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 108.701 -0.851 . . . . 25.0 108.701 175.912 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -105.23 -75.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.081 0.467 . . . . 25.0 111.716 178.291 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -61.27 -30.67 70.61 Favored 'General case' 0 C--N 1.328 -0.332 0 O-C-N 121.892 -0.505 . . . . 25.0 112.136 -177.455 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -62.45 -33.73 87.23 Favored Glycine 0 C--O 1.221 -0.697 0 CA-C-N 115.87 -0.605 . . . . 25.0 112.047 179.359 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -67.85 -43.97 78.21 Favored 'General case' 0 C--O 1.215 -0.736 0 CA-C-N 117.509 0.655 . . . . 25.0 109.768 -179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -63.47 -35.48 80.59 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.471 -0.566 . . . . 25.0 109.471 -178.85 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.54 -48.31 67.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.149 -0.478 . . . . 25.0 111.31 177.268 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.36 -37.27 84.93 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 117.962 0.347 . . . . 25.0 111.335 -178.321 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -60.68 -33.66 73.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 121.65 -0.656 . . . . 25.0 110.068 176.888 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.45 -47.99 32.41 Favored Glycine 0 C--O 1.215 -1.047 0 N-CA-C 109.035 -1.626 . . . . 25.0 109.035 176.124 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.79 -38.96 65.04 Favored 'General case' 0 C--O 1.209 -1.058 0 C-N-CA 123.037 0.535 . . . . 25.0 112.417 -178.317 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -72.88 -40.13 65.87 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-O 122.603 1.192 . . . . 25.0 113.648 -179.909 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.34 -42.5 92.83 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 115.119 -0.946 . . . . 25.0 110.153 178.038 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -73.69 -26.58 21.89 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.681 0 CA-C-O 119.339 -0.363 . . . . 25.0 110.51 -179.889 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.58 -35.66 66.01 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.519 0.6 . . . . 25.0 111.115 -179.419 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.19 89.82 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.809 0.337 . . . . 25.0 110.278 177.025 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.67 -34.44 67.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.677 0.275 . . . . 25.0 110.915 176.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.415 ' HA ' HG12 ' A' ' 476' ' ' VAL . 70.7 mm-40 -68.34 -47.62 66.99 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.009 -0.432 . . . . 25.0 111.695 -179.745 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 8.4 ptm85 -64.37 -26.13 68.33 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.193 -0.603 . . . . 25.0 109.855 178.186 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.58 -50.33 32.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.151 176.736 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.415 HG12 ' HA ' ' A' ' 473' ' ' GLN . 11.2 p -64.14 -35.31 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 -177.741 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -62.73 -36.9 84.51 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.518 -0.765 . . . . 25.0 109.697 178.05 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.54 -45.79 92.58 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 122.113 -0.367 . . . . 25.0 110.678 179.377 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -69.8 -34.23 59.64 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.59 0 O-C-N 121.981 -0.449 . . . . 25.0 109.842 -179.02 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.09 -27.12 65.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.436 0.636 . . . . 25.0 109.337 178.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.6 mt -81.31 -41.16 22.52 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.202 0.525 . . . . 25.0 110.428 176.829 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.8 mtm -61.55 -28.08 69.08 Favored 'General case' 0 CA--C 1.501 -0.94 0 CA-C-N 116.286 -0.415 . . . . 25.0 111.539 179.672 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.9 p -79.08 -34.7 43.37 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.439 -0.904 . . . . 25.0 110.592 -175.997 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -81.04 -24.17 38.07 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 120.545 -0.462 . . . . 25.0 110.803 176.629 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -85.73 -10.95 54.81 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 121.307 0.575 . . . . 25.0 111.83 176.136 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 85.11 -42.84 3.18 Favored Glycine 0 CA--C 1.519 0.309 0 N-CA-C 110.256 -1.138 . . . . 25.0 110.256 -176.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 90.5 mtm-85 -141.07 -68.62 0.39 Allowed 'General case' 0 CA--C 1.506 -0.731 0 CA-C-O 122.762 1.267 . . . . 25.0 110.044 176.772 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -160.45 168.09 25.88 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 112.878 -1.965 . . . . 25.0 106.207 -179.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -173.95 -43.61 0.05 OUTLIER Glycine 0 C--O 1.225 -0.453 0 CA-C-O 121.977 0.765 . . . . 25.0 112.167 178.756 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 45.7 t . . . . . 0 C--O 1.212 -0.883 0 CA-C-O 123.316 1.532 . . . . 25.0 111.745 177.914 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 CA-C-O 123.068 1.371 . . . . 25.0 112.91 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 45.4 m -93.21 142.03 27.76 Favored 'General case' 0 N--CA 1.462 0.135 0 O-C-N 121.223 -1.163 . . . . 25.0 109.831 179.362 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 44.3 mtt85 65.12 -173.9 0.18 Allowed 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.541 1.136 . . . . 25.0 110.588 -178.025 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 8.0 p -148.21 -42.47 0.16 Allowed 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 179.004 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -156.0 172.78 17.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 104.645 -2.354 . . . . 25.0 104.645 177.068 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 68.3 m -114.11 152.48 31.03 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 106.163 -1.792 . . . . 25.0 106.163 176.243 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -71.47 -23.48 61.82 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.824 -0.625 . . . . 25.0 112.267 -173.526 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.14 -36.91 91.01 Favored Glycine 0 C--O 1.226 -0.376 0 C-N-CA 120.29 -0.957 . . . . 25.0 110.765 178.229 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -66.18 -36.68 83.71 Favored 'General case' 0 C--O 1.209 -1.034 0 CA-C-O 121.24 0.543 . . . . 25.0 109.656 -178.941 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 58.5 t -66.24 -35.13 74.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.068 -0.515 . . . . 25.0 110.641 179.684 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 49.3 m -66.03 -38.71 89.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.823 -0.548 . . . . 25.0 110.334 177.803 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.74 -30.14 59.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.411 0.624 . . . . 25.0 109.91 179.382 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 49.1 ttm -60.49 -40.69 92.21 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 109.079 -0.712 . . . . 25.0 109.079 177.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.96 -33.92 76.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.932 0.396 . . . . 25.0 110.854 178.77 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.69 -46.78 57.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.808 0.337 . . . . 25.0 111.07 -179.061 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.7 p -68.84 -34.17 63.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.596 0 N-CA-C 110.376 -0.231 . . . . 25.0 110.376 -178.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -57.37 -44.55 84.5 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.419 -0.585 . . . . 25.0 109.419 175.62 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.53 -38.25 90.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.18 -0.325 . . . . 25.0 110.661 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.23 88.72 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 116.47 -0.332 . . . . 25.0 110.392 179.414 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -62.74 -46.09 89.67 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 109.204 -0.665 . . . . 25.0 109.204 178.854 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 51.1 mt -58.42 -41.92 86.06 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 179.435 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -74.78 -32.8 62.14 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 119.82 -0.752 . . . . 25.0 111.948 176.358 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 60.8 mtm -68.14 -34.37 76.23 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 121.763 -0.586 . . . . 25.0 110.228 177.748 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.0 m -54.54 -32.7 58.75 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.46 0.648 . . . . 25.0 110.343 178.328 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -66.48 -42.79 86.95 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.746 -0.596 . . . . 25.0 109.884 -178.792 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -72.33 -38.05 68.73 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.609 -0.885 . . . . 25.0 108.609 -179.313 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.47 -41.62 85.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.011 -0.995 . . . . 25.0 111.161 178.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 55.5 mt -64.62 -37.11 86.44 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.865 0.364 . . . . 25.0 110.913 178.489 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 36.8 m170 -74.69 -16.31 60.76 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.667 0.27 . . . . 25.0 111.341 179.387 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -103.95 17.74 23.47 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.993 0.517 . . . . 25.0 110.269 179.44 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -82.87 -161.43 30.45 Favored Glycine 0 CA--C 1.519 0.293 0 CA-C-O 121.556 0.531 . . . . 25.0 112.903 -179.461 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -143.5 153.44 42.62 Favored 'General case' 0 N--CA 1.441 -0.908 0 N-CA-C 105.105 -2.183 . . . . 25.0 105.105 -179.739 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -65.57 149.68 49.66 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.0 -1.0 . . . . 25.0 110.5 -178.776 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -97.75 35.74 1.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.464 -0.939 . . . . 25.0 108.464 177.572 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 8.3 t0 54.78 22.18 4.01 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.335 1.454 . . . . 25.0 114.35 -179.788 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 65.18 27.39 12.3 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 113.05 -1.887 . . . . 25.0 111.486 177.629 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -77.56 35.73 0.19 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.622 0.769 . . . . 25.0 110.85 177.261 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -75.24 155.86 85.9 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.223 -177.976 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.88 174.47 11.85 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 CA-C-O 121.987 0.745 . . . . 25.0 113.942 -178.314 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -50.24 -23.88 6.38 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 118.941 2.337 . . . . 25.0 118.941 -176.316 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 8.9 p -59.99 -28.5 41.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 C-N-CA 122.433 0.293 . . . . 25.0 111.11 178.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 15.8 m -86.17 5.28 34.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.302 0.573 . . . . 25.0 111.76 179.796 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 96.53 -5.91 65.01 Favored Glycine 0 C--O 1.239 0.437 0 CA-C-N 116.253 -0.43 . . . . 25.0 113.081 179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -58.95 113.92 2.31 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 122.603 0.361 . . . . 25.0 110.694 -179.41 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 27.6 m 56.25 8.6 0.42 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.622 1.342 . . . . 25.0 114.622 -177.766 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -81.92 56.85 3.24 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 122.933 0.493 . . . . 25.0 111.81 -177.223 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -42.84 -54.56 4.09 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 113.975 1.102 . . . . 25.0 113.975 -176.501 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -65.04 -32.22 73.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.704 -0.623 . . . . 25.0 112.678 179.617 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -69.9 -33.76 70.74 Favored Glycine 0 C--O 1.223 -0.534 0 N-CA-C 110.485 -1.046 . . . . 25.0 110.485 178.121 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . 0.465 ' HA ' HD23 ' A' ' 463' ' ' LEU . 81.7 mt-30 -64.46 -34.9 79.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.946 -0.738 . . . . 25.0 109.229 177.622 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -67.19 -33.03 74.51 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.15 -0.62 . . . . 25.0 109.652 178.629 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -69.57 -37.26 76.9 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.264 176.923 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.3 OUTLIER -67.71 -33.88 75.76 Favored 'General case' 0 C--O 1.216 -0.674 0 N-CA-C 109.483 -0.562 . . . . 25.0 109.483 178.985 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -59.53 -34.76 73.04 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.139 -0.624 . . . . 25.0 109.912 174.791 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.27 -44.84 73.42 Favored Glycine 0 C--O 1.218 -0.883 0 N-CA-C 108.697 -1.761 . . . . 25.0 108.697 176.091 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.97 -39.32 65.88 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 122.767 0.427 . . . . 25.0 111.586 179.39 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -67.86 -42.13 81.81 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.037 0.446 . . . . 25.0 111.515 178.426 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -67.29 -44.22 79.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.157 0.503 . . . . 25.0 110.574 -178.606 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.27 -26.46 31.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.871 0 CA-C-N 116.411 -0.359 . . . . 25.0 110.488 -179.446 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.14 -32.8 64.59 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 117.946 0.339 . . . . 25.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.71 -37.98 89.43 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 109.885 -0.413 . . . . 25.0 109.885 177.312 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -34.31 67.08 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-O 120.571 0.225 . . . . 25.0 110.509 176.623 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.459 ' HA ' HG12 ' A' ' 476' ' ' VAL . 60.7 mm-40 -67.9 -46.52 71.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.092 0.472 . . . . 25.0 112.049 -179.307 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -63.18 -27.19 69.2 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 178.111 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.27 -51.64 14.67 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.856 -0.611 . . . . 25.0 111.056 177.333 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.0 p -62.94 -35.71 72.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 CA-C-N 118.8 0.727 . . . . 25.0 109.808 -175.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.6 t-160 -62.13 -35.79 79.83 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 115.895 -0.593 . . . . 25.0 110.211 178.693 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.55 -44.74 95.79 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.66 -0.416 . . . . 25.0 110.254 180.0 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.5 mt -71.25 -33.11 49.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 121.957 -0.464 . . . . 25.0 109.87 -179.296 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.52 -28.96 65.93 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 178.567 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -78.97 -44.35 22.6 Favored 'General case' 0 CA--C 1.503 -0.845 0 CA-C-O 121.022 0.439 . . . . 25.0 109.975 177.59 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.9 mtm -60.68 -31.07 70.33 Favored 'General case' 0 CA--C 1.506 -0.746 0 CA-C-O 121.301 0.572 . . . . 25.0 111.328 -179.462 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 18.0 p -77.04 -31.58 56.36 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.785 -0.766 . . . . 25.0 110.614 -174.574 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -85.05 -30.32 24.21 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.36 -0.536 . . . . 25.0 110.992 174.992 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -67.24 -42.48 83.9 Favored 'General case' 0 C--N 1.33 -0.244 0 O-C-N 121.697 -0.627 . . . . 25.0 109.504 178.367 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -89.07 0.86 82.38 Favored Glycine 0 C--O 1.224 -0.531 0 N-CA-C 111.759 -0.536 . . . . 25.0 111.759 179.098 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.08 13.27 1.12 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.775 1.398 . . . . 25.0 114.775 -178.823 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -68.43 -23.37 64.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.909 0.385 . . . . 25.0 110.297 179.078 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -86.23 15.07 51.69 Favored Glycine 0 C--O 1.225 -0.444 0 CA-C-O 121.575 0.542 . . . . 25.0 111.78 178.209 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 36.0 p . . . . . 0 C--O 1.211 -0.958 0 CA-C-O 124.74 2.21 . . . . 25.0 111.428 -179.207 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 CA-C-O 121.83 0.683 . . . . 25.0 112.695 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 18.1 m 54.08 30.61 12.26 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.975 1.102 . . . . 25.0 113.975 178.429 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 60.73 110.83 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.023 1.49 . . . . 25.0 115.023 -178.698 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 63.3 m -86.23 176.37 7.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.734 0.778 . . . . 25.0 110.63 179.812 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -77.86 50.32 0.85 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.565 0.95 . . . . 25.0 113.565 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 1.4 m -85.07 25.8 0.93 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 122.764 0.426 . . . . 25.0 111.571 179.462 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 61.98 -64.55 0.08 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.958 1.703 . . . . 25.0 115.143 179.193 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.02 -35.06 91.52 Favored Glycine 0 C--O 1.223 -0.535 0 N-CA-C 111.399 -0.68 . . . . 25.0 111.399 -179.781 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.76 -34.79 78.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.017 -0.364 . . . . 25.0 110.017 178.251 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 26.0 t -74.12 -41.07 51.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 25.0 110.491 -179.369 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.0 m -64.26 -38.37 90.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.043 0.449 . . . . 25.0 110.268 179.183 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -74.72 -24.99 58.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.239 -0.437 . . . . 25.0 110.548 178.403 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 25.9 ttm -64.29 -46.69 82.51 Favored 'General case' 0 C--O 1.215 -0.751 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 177.35 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.12 76.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.981 0.42 . . . . 25.0 110.603 -179.333 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -67.25 -48.2 68.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.412 -0.358 . . . . 25.0 111.448 -179.829 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.14 -35.48 58.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 C-N-CA 121.1 -0.24 . . . . 25.0 110.614 -178.447 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.76 -47.62 84.03 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.722 -0.473 . . . . 25.0 109.722 176.759 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.31 -39.28 93.6 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.929 0.395 . . . . 25.0 110.211 -179.98 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.16 -47.74 75.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.506 -179.1 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.13 -31.08 69.52 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.677 -0.64 . . . . 25.0 110.486 -178.161 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 27.4 mt -63.86 -43.69 95.35 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 122.002 -0.436 . . . . 25.0 110.728 177.045 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -72.91 -32.26 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 119.263 -0.975 . . . . 25.0 109.909 178.244 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.0 tpp -61.79 -40.76 96.34 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 177.317 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 63.4 m -63.91 -37.58 87.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.483 . . . . 25.0 110.081 178.534 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -65.99 -46.76 76.85 Favored 'General case' 0 CA--C 1.508 -0.662 0 O-C-N 121.401 -0.812 . . . . 25.0 109.315 177.471 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.96 -44.23 82.39 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.622 -0.717 . . . . 25.0 112.115 -178.323 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.2 -35.59 58.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 113.282 0.845 . . . . 25.0 113.282 179.522 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 70.4 mt -71.13 -35.83 71.88 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.593 0.59 . . . . 25.0 112.593 178.649 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -79.37 -15.19 58.29 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.539 0.209 . . . . 25.0 111.377 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -68.46 132.97 47.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.552 0.692 . . . . 25.0 110.898 -178.222 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 149.45 176.53 22.74 Favored Glycine 0 C--O 1.224 -0.517 0 N-CA-C 110.809 -0.916 . . . . 25.0 110.809 178.909 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -86.56 25.05 1.3 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.497 0.554 . . . . 25.0 112.497 -178.398 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -66.9 -52.57 41.65 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.712 0.634 . . . . 25.0 112.712 -177.708 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 53.17 27.48 5.97 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.951 1.463 . . . . 25.0 114.951 178.151 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -71.62 -32.58 68.13 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.285 0.564 . . . . 25.0 112.387 -177.182 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -125.46 19.86 8.05 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.52 -0.763 . . . . 25.0 112.689 -172.955 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -90.42 44.28 1.19 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.908 -0.587 . . . . 25.0 111.927 -175.94 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -70.48 145.59 93.05 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 121.063 0.458 . . . . 25.0 110.27 178.612 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 81.7 Cg_endo -77.52 162.93 30.09 Favored 'Trans proline' 0 C--N 1.345 0.386 0 CA-C-O 121.812 0.672 . . . . 25.0 113.316 -178.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -76.35 47.85 2.41 Favored Glycine 0 C--O 1.223 -0.545 0 CA-C-N 115.307 -0.86 . . . . 25.0 114.898 -179.633 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 9.3 p -81.23 -13.39 12.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.598 0 CA-C-O 122.03 0.919 . . . . 25.0 109.606 179.395 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 26.5 m -63.93 150.07 45.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.545 -0.752 . . . . 25.0 111.996 -179.51 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 113.13 -35.02 4.77 Favored Glycine 0 C--O 1.223 -0.578 0 N-CA-C 111.217 -0.753 . . . . 25.0 111.217 179.55 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -84.57 10.09 11.93 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-O 121.536 0.684 . . . . 25.0 110.329 177.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.97 110.77 5.23 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 114.086 1.143 . . . . 25.0 114.086 -176.717 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -148.74 151.43 34.84 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 106.743 -1.577 . . . . 25.0 106.743 176.305 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -105.61 -76.7 0.6 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.249 0.547 . . . . 25.0 111.602 177.138 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.0 m-90 -59.55 -28.92 67.53 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.929 0.714 . . . . 25.0 112.929 -178.037 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.29 -33.8 88.23 Favored Glycine 0 C--O 1.225 -0.448 0 C-N-CA 120.901 -0.666 . . . . 25.0 111.483 178.302 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -67.15 -45.47 76.95 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 179.049 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -64.29 -37.21 86.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.136 -0.484 . . . . 25.0 110.287 -177.879 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.5 -45.16 91.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.013 -0.54 . . . . 25.0 109.998 177.867 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -37.47 85.92 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 120.796 -0.361 . . . . 25.0 110.806 -179.349 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -57.53 -38.5 74.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.761 0.709 . . . . 25.0 110.958 177.354 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.38 -47.25 44.38 Favored Glycine 0 C--O 1.222 -0.655 0 N-CA-C 109.543 -1.423 . . . . 25.0 109.543 176.857 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.26 -38.98 63.52 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 112.257 0.466 . . . . 25.0 112.257 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -65.3 -47.83 75.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.199 0.523 . . . . 25.0 111.201 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.32 -44.5 87.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.118 -0.492 . . . . 25.0 110.739 -177.587 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.3 m -70.13 -31.36 47.22 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.039 0 C-N-CA 120.323 -0.551 . . . . 25.0 110.734 -178.57 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.28 -36.94 71.64 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 118.582 0.628 . . . . 25.0 111.417 -178.67 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.78 -37.21 86.84 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.856 -0.424 . . . . 25.0 109.856 178.07 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.14 68.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.756 -0.202 . . . . 25.0 110.999 177.604 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.422 ' HA ' HG12 ' A' ' 476' ' ' VAL . 64.9 mm-40 -66.22 -46.15 78.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.884 -0.51 . . . . 25.0 111.886 -179.29 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -63.92 -27.55 69.22 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 179.454 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.86 -52.57 12.56 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.762 -0.654 . . . . 25.0 110.867 177.184 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 473' ' ' GLN . 15.0 p -63.02 -36.09 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 118.725 0.693 . . . . 25.0 109.904 -175.293 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -62.88 -35.31 79.57 Favored 'General case' 0 N--CA 1.439 -0.993 0 CA-C-N 115.842 -0.617 . . . . 25.0 110.246 178.762 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.11 -46.37 89.83 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.567 -0.453 . . . . 25.0 110.088 -179.463 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.44 -35.34 66.43 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 N-CA-C 109.803 -0.443 . . . . 25.0 109.803 -178.624 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.41 -26.8 63.66 Favored 'General case' 0 C--O 1.219 -0.525 0 N-CA-C 109.907 -0.405 . . . . 25.0 109.907 179.871 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 12.4 mt -81.37 -42.87 19.83 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.996 0.426 . . . . 25.0 110.754 176.291 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 41.5 mtm -59.55 -24.09 63.41 Favored 'General case' 0 CA--C 1.498 -1.045 0 CA-C-N 115.816 -0.629 . . . . 25.0 111.745 -178.069 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 40.7 p -80.52 -24.23 39.49 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 119.739 -0.784 . . . . 25.0 110.616 -177.859 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -84.89 -37.16 20.94 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 121.797 0.808 . . . . 25.0 108.925 177.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -66.53 -25.32 66.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 107.151 -1.426 . . . . 25.0 107.151 173.717 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -90.03 12.5 67.45 Favored Glycine 0 C--O 1.221 -0.717 0 CA-C-N 115.526 -0.761 . . . . 25.0 113.946 -177.365 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 14.7 ptt180 -76.42 -7.14 54.42 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 117.249 0.524 . . . . 25.0 110.157 -179.249 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 52.8 46.13 27.35 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.976 0.894 . . . . 25.0 111.779 177.568 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 82.61 -43.49 3.07 Favored Glycine 0 C--O 1.225 -0.44 0 CA-C-N 115.434 -0.803 . . . . 25.0 111.645 -177.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 38.8 t . . . . . 0 N--CA 1.478 0.925 0 CA-C-O 124.126 1.917 . . . . 25.0 112.322 -179.397 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.002 0 CA-C-O 124.852 2.362 . . . . 25.0 112.583 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 38.3 m -64.78 123.16 18.63 Favored 'General case' 0 C--O 1.224 -0.242 0 O-C-N 121.169 -1.194 . . . . 25.0 108.521 179.41 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 59.17 42.21 19.06 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.841 -0.618 . . . . 25.0 110.395 -177.25 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 2.8 t 72.23 -158.64 0.1 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.007 1.323 . . . . 25.0 113.13 176.962 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -61.93 144.14 55.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.828 0.823 . . . . 25.0 112.641 -175.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 56.1 m -115.36 50.42 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.248 -0.887 . . . . 25.0 110.495 -179.897 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? 62.26 -56.83 0.13 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 117.695 2.48 . . . . 25.0 117.695 177.064 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.94 -31.75 80.51 Favored Glycine 0 C--O 1.226 -0.389 0 N-CA-C 108.994 -1.642 . . . . 25.0 108.994 178.902 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -56.01 -33.21 64.68 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 114.571 -0.814 . . . . 25.0 111.508 178.611 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 49.5 t -66.2 -34.4 69.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.664 0.269 . . . . 25.0 110.901 -176.34 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 39.4 m -68.4 -42.44 79.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.066 0.46 . . . . 25.0 110.649 -179.573 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -75.55 -30.29 59.67 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.079 -0.51 . . . . 25.0 109.654 -179.339 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 64.0 ttp -64.0 -40.67 96.88 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 176.375 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.77 -34.27 77.94 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.94 -0.475 . . . . 25.0 110.536 178.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.13 -45.54 66.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.632 0.253 . . . . 25.0 111.378 179.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 8.9 p -71.08 -32.56 48.42 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 C-N-CA 120.869 -0.332 . . . . 25.0 110.559 -179.21 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -58.28 -43.63 88.08 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 174.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.86 88.96 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.992 -0.443 . . . . 25.0 110.326 179.33 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.75 -42.82 85.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.547 -0.297 . . . . 25.0 110.285 178.799 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.19 -45.24 95.42 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 178.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.85 -43.62 98.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.836 -0.62 . . . . 25.0 112.25 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -73.75 -33.09 64.15 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.426 -0.909 . . . . 25.0 111.924 178.619 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 70.1 mtm -65.2 -38.0 89.09 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 108.732 -0.84 . . . . 25.0 108.732 176.077 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 87.9 m -59.27 -38.51 80.29 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.379 -0.601 . . . . 25.0 109.379 176.891 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 6.2 mtt180 -65.36 -42.24 93.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.365 -0.835 . . . . 25.0 109.404 179.392 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.91 -44.85 88.21 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 113.11 0.781 . . . . 25.0 113.11 -178.842 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 28.4 m -66.58 -33.03 60.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 120.399 -0.521 . . . . 25.0 111.052 -179.675 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 68.7 mt -73.6 -5.3 39.46 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.822 0.675 . . . . 25.0 112.822 176.187 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -109.92 -6.83 15.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.166 -0.334 . . . . 25.0 110.501 174.776 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -90.97 170.2 10.25 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.74 -1.578 . . . . 25.0 106.74 178.779 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -76.04 143.34 29.69 Favored Glycine 0 N--CA 1.449 -0.462 0 N-CA-C 107.863 -2.095 . . . . 25.0 107.863 176.095 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -90.55 -151.74 0.25 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.494 -1.298 . . . . 25.0 107.494 178.722 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -66.78 155.79 37.23 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.256 -1.016 . . . . 25.0 108.256 176.617 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -102.47 20.61 16.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.406 0.622 . . . . 25.0 110.292 178.768 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -57.24 -40.58 77.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 115.147 -0.933 . . . . 25.0 112.069 -174.843 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -118.87 20.29 12.84 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.78 0.8 . . . . 25.0 110.546 -177.271 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -120.56 52.25 1.18 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.807 0.813 . . . . 25.0 109.64 -175.629 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.51 145.53 59.16 Favored Pre-proline 0 C--O 1.24 0.605 0 CA-C-N 114.952 -1.022 . . . . 25.0 110.085 178.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -76.34 67.43 7.02 Favored 'Trans proline' 0 C--N 1.349 0.577 0 N-CA-C 114.628 0.972 . . . . 25.0 114.628 -178.29 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 154.86 69.35 0.01 OUTLIER Glycine 0 C--N 1.319 -0.392 0 CA-C-N 115.004 -0.998 . . . . 25.0 113.886 178.835 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 47.0 t -107.99 100.5 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 178.479 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 82.5 p -161.08 172.63 16.47 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.039 -1.467 . . . . 25.0 107.039 179.192 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -78.81 -0.47 81.19 Favored Glycine 0 C--O 1.225 -0.455 0 C-N-CA 120.615 -0.802 . . . . 25.0 113.219 178.288 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -118.63 3.76 11.7 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.99 0.395 . . . . 25.0 111.963 -178.04 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 55.8 p -105.81 166.91 10.14 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 -178.618 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 65.99 165.16 0.18 Allowed 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 125.047 1.339 . . . . 25.0 112.041 -177.668 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -110.45 -67.24 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.857 0.837 . . . . 25.0 111.165 173.777 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 71.8 m95 -58.84 -42.15 88.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 122.274 1.035 . . . . 25.0 112.749 -177.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -58.66 -33.83 74.08 Favored Glycine 0 C--O 1.223 -0.549 0 CA-C-N 113.831 -1.532 . . . . 25.0 113.611 179.17 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -63.03 -45.49 92.06 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 118.028 0.914 . . . . 25.0 109.709 179.731 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 31.6 mmm180 -67.01 -33.97 76.73 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.408 -0.517 . . . . 25.0 110.295 -178.92 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.28 -47.05 78.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 177.595 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.61 -39.98 92.12 Favored 'General case' 0 C--O 1.215 -0.763 0 O-C-N 122.219 -0.3 . . . . 25.0 110.218 179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -63.26 -30.13 71.33 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.556 -0.715 . . . . 25.0 110.905 178.169 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -67.94 -48.22 55.68 Favored Glycine 0 C--O 1.218 -0.886 0 N-CA-C 108.124 -1.99 . . . . 25.0 108.124 175.566 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.81 -38.49 70.04 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 116.826 0.313 . . . . 25.0 111.45 179.029 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -66.92 -44.98 79.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.221 0.534 . . . . 25.0 110.617 178.665 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.09 -44.15 89.78 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.137 -0.483 . . . . 25.0 110.828 -178.019 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.6 m -70.0 -31.44 47.83 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.992 0 C-N-CA 120.291 -0.563 . . . . 25.0 109.844 -179.475 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.85 -35.49 73.01 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.643 0.656 . . . . 25.0 111.007 -179.684 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.26 86.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 177.769 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.72 -37.69 67.69 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.517 0.199 . . . . 25.0 110.721 177.035 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.407 ' HA ' HG12 ' A' ' 476' ' ' VAL . 42.7 mm-40 -66.02 -45.44 81.51 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.97 -0.456 . . . . 25.0 111.714 -178.576 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.47 -27.12 68.77 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 120.393 -0.523 . . . . 25.0 109.63 179.526 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.96 -52.68 12.05 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.851 -0.613 . . . . 25.0 110.414 177.529 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 473' ' ' GLN . 12.4 p -63.58 -36.54 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 118.449 0.568 . . . . 25.0 109.771 -175.629 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -64.67 -32.37 74.01 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.198 -0.456 . . . . 25.0 110.756 178.416 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.73 99.37 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.585 -0.446 . . . . 25.0 110.085 179.982 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.7 -34.27 51.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 N-CA-C 109.392 -0.595 . . . . 25.0 109.392 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.26 -26.83 65.26 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.4 0.619 . . . . 25.0 110.118 179.459 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 15.0 mt -77.03 -41.82 41.0 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 109.329 -0.619 . . . . 25.0 109.329 176.933 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.4 mtm -63.86 -28.37 69.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.392 -0.367 . . . . 25.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 41.3 p -78.72 -34.94 45.53 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 119.282 -0.967 . . . . 25.0 110.008 -177.042 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -78.12 -32.84 50.66 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.893 -0.723 . . . . 25.0 110.335 177.086 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -72.18 -33.33 67.59 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.832 -0.543 . . . . 25.0 109.735 178.312 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -82.64 10.51 55.91 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 112.063 -0.415 . . . . 25.0 112.063 176.434 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 49.79 34.64 7.83 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.799 1.24 . . . . 25.0 113.881 179.381 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -111.15 8.85 21.85 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.812 -0.631 . . . . 25.0 109.637 -179.29 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -77.8 71.23 2.39 Favored Glycine 0 C--O 1.225 -0.411 0 CA-C-O 121.566 0.537 . . . . 25.0 111.915 178.899 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.208 -1.106 0 CA-C-O 123.801 1.762 . . . . 25.0 112.82 179.83 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.122 0 CA-C-O 124.39 2.105 . . . . 25.0 112.968 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 43.2 p -85.22 151.51 24.03 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.407 -1.055 . . . . 25.0 110.109 179.7 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 42.2 ptt85 -125.34 155.4 40.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.384 -0.969 . . . . 25.0 108.384 178.112 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 66.7 m -137.34 157.4 46.7 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 104.925 -2.25 . . . . 25.0 104.925 -179.947 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -159.35 -23.23 0.07 Allowed 'General case' 0 C--O 1.2 -1.54 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 -178.127 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 28.2 t 65.48 135.52 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 123.429 1.585 . . . . 25.0 113.57 -176.491 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.91 -34.72 78.77 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 113.919 -1.491 . . . . 25.0 113.809 -175.36 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -74.45 -40.96 38.25 Favored Glycine 0 C--O 1.219 -0.815 0 C-N-CA 120.164 -1.017 . . . . 25.0 110.963 -179.405 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.97 -32.96 74.69 Favored 'General case' 0 C--O 1.213 -0.868 0 C-N-CA 122.744 0.417 . . . . 25.0 110.545 -177.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.2 -30.05 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 O-C-N 122.032 -0.417 . . . . 25.0 110.825 178.644 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 37.7 m -66.01 -40.69 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.452 -0.78 . . . . 25.0 110.028 179.395 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -75.93 -32.21 59.47 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.304 0.574 . . . . 25.0 109.622 178.413 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 39.5 ttm -61.8 -37.71 85.38 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.05 -0.523 . . . . 25.0 110.221 179.229 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -61.78 -31.87 72.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.14 0.495 . . . . 25.0 111.123 179.298 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.48 -36.08 71.02 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.31 -0.626 . . . . 25.0 109.31 178.225 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 57.8 t -67.39 -43.97 87.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 178.349 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -58.63 -45.16 89.84 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.627 -0.509 . . . . 25.0 109.627 178.874 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.09 98.94 Favored 'General case' 0 C--O 1.238 0.489 0 O-C-N 121.878 -0.514 . . . . 25.0 111.04 179.72 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.34 -45.19 81.06 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.192 0.441 . . . . 25.0 112.192 -178.371 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.439 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 26.0 pt-20 -70.36 -32.36 70.01 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 119.636 -0.826 . . . . 25.0 109.788 -178.631 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 19.5 mt -62.54 -46.07 90.06 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.558 -0.457 . . . . 25.0 109.975 177.802 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -73.62 -36.12 65.41 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 119.013 -1.075 . . . . 25.0 112.999 -178.262 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . 0.439 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 21.6 ptp -64.92 -35.89 82.62 Favored 'General case' 0 CA--C 1.514 -0.425 0 C-N-CA 119.485 -0.886 . . . . 25.0 110.249 -179.812 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 37.7 m -67.48 -37.43 82.88 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 -179.631 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 67.3 mtt85 -64.73 -43.76 92.36 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 108.963 -0.754 . . . . 25.0 108.963 178.411 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -46.96 87.46 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.544 -0.753 . . . . 25.0 112.351 -179.093 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 29.8 m -69.53 -38.26 76.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 120.307 -0.557 . . . . 25.0 111.382 -179.922 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.32 -43.89 89.59 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 121.23 -0.188 . . . . 25.0 111.414 179.312 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -62.83 -35.49 80.12 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 121.728 -0.607 . . . . 25.0 111.51 -180.0 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -62.29 -31.34 71.92 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -178.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -119.76 24.08 8.09 Favored Glycine 0 C--O 1.225 -0.442 0 CA-C-O 119.625 -0.542 . . . . 25.0 112.996 -178.338 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 71.46 121.06 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.419 1.487 . . . . 25.0 110.312 -174.172 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 7.1 ppt_? -62.78 151.26 39.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 114.481 1.289 . . . . 25.0 114.481 -174.483 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -119.34 24.23 10.82 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 114.606 -1.179 . . . . 25.0 108.621 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -59.28 -33.66 71.34 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.568 -1.197 . . . . 25.0 110.516 -179.446 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -159.52 94.17 1.15 Allowed 'General case' 0 C--O 1.239 0.552 0 N-CA-C 104.234 -2.506 . . . . 25.0 104.234 177.556 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -142.98 34.02 1.37 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.354 -0.839 . . . . 25.0 109.986 178.135 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -68.67 132.24 91.02 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 112.575 0.583 . . . . 25.0 112.575 -177.213 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -80.97 147.79 16.89 Favored 'Trans proline' 0 C--N 1.348 0.55 0 CA-C-O 121.526 0.553 . . . . 25.0 112.935 179.093 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 149.22 177.91 23.77 Favored Glycine 0 N--CA 1.437 -1.24 0 N-CA-C 109.27 -1.532 . . . . 25.0 109.27 177.84 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 11.4 p -136.06 139.15 46.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 N-CA-C 105.686 -1.968 . . . . 25.0 105.686 176.492 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 21.1 m -116.99 165.9 12.81 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.869 -0.419 . . . . 25.0 109.869 -176.716 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -81.01 48.58 3.8 Favored Glycine 0 C--O 1.224 -0.498 0 N-CA-C 112.138 -0.385 . . . . 25.0 112.138 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -150.05 172.48 15.18 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 -177.276 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 12.5 p -67.79 147.26 52.82 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.857 -0.794 . . . . 25.0 108.857 177.636 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -64.71 137.26 57.7 Favored 'General case' 0 CA--C 1.512 -0.508 0 N-CA-C 109.129 -0.693 . . . . 25.0 109.129 178.047 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -104.31 -57.71 1.99 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.359 177.286 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -60.52 -36.39 78.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.637 0.732 . . . . 25.0 112.28 179.839 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -61.11 -31.8 78.1 Favored Glycine 0 C--O 1.226 -0.399 0 CA-C-N 115.48 -0.782 . . . . 25.0 112.881 179.009 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -71.55 -39.79 70.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.198 -0.667 . . . . 25.0 109.198 179.063 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -64.54 -35.2 80.19 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.601 -0.888 . . . . 25.0 108.601 178.412 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -67.59 -37.31 82.39 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.209 178.445 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.89 -31.55 72.55 Favored 'General case' 0 C--O 1.221 -0.41 0 O-C-N 121.771 -0.58 . . . . 25.0 110.214 -179.591 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -59.99 -34.94 73.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.901 -0.5 . . . . 25.0 110.161 176.359 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.21 -40.02 56.67 Favored Glycine 0 C--O 1.22 -0.721 0 N-CA-C 109.471 -1.451 . . . . 25.0 109.471 176.526 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.0 71.26 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.786 0.326 . . . . 25.0 110.939 179.285 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -64.54 -44.22 91.49 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.179 0.514 . . . . 25.0 111.161 178.355 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.27 -45.33 80.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 25.0 110.354 -178.13 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.2 m -69.8 -28.01 35.4 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 C-N-CA 120.309 -0.556 . . . . 25.0 110.767 -178.691 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.4 -34.14 70.41 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.807 -0.558 . . . . 25.0 110.879 179.531 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.64 -36.76 84.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.711 -0.477 . . . . 25.0 109.711 177.549 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.73 -36.45 67.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.576 0.227 . . . . 25.0 110.917 177.335 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -66.57 -45.73 78.34 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.142 0.496 . . . . 25.0 111.659 -179.643 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -65.12 -27.02 68.45 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 119.84 -0.744 . . . . 25.0 109.501 178.714 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.75 -49.83 28.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.075 -0.511 . . . . 25.0 111.033 177.06 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.6 p -63.64 -36.73 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 118.707 0.685 . . . . 25.0 109.259 -177.079 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -64.25 -33.6 76.18 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.205 -0.452 . . . . 25.0 110.652 178.382 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.46 99.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 121.857 -0.527 . . . . 25.0 110.209 179.335 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.7 mt -70.61 -34.46 57.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.61 -0.515 . . . . 25.0 109.61 179.814 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.68 -25.41 64.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 179.043 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.99 -41.82 22.13 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 121.02 0.438 . . . . 25.0 110.092 176.203 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 47.0 mtm -60.85 -28.19 68.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.909 0.385 . . . . 25.0 111.737 -179.924 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 37.0 p -76.77 -36.25 57.15 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.635 -0.826 . . . . 25.0 110.756 -176.845 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.8 -29.37 40.28 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.472 -0.491 . . . . 25.0 110.153 176.679 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -66.14 -36.06 82.14 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 175.781 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -79.72 7.34 55.09 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 116.105 -0.498 . . . . 25.0 113.317 177.787 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 48.22 45.33 19.99 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.905 0.882 . . . . 25.0 112.931 178.172 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -60.28 123.63 17.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.323 -0.399 . . . . 25.0 110.694 -179.469 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -87.24 36.27 3.34 Favored Glycine 0 C--O 1.224 -0.494 0 CA-C-O 121.641 0.578 . . . . 25.0 112.295 179.267 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 16.9 t . . . . . 0 C--O 1.211 -0.969 0 CA-C-O 123.285 1.517 . . . . 25.0 110.706 -178.547 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.916 0 CA-C-O 125.667 2.815 . . . . 25.0 110.501 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 67.7 m -79.78 115.55 19.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 112.501 -1.85 . . . . 25.0 108.909 179.194 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -58.71 -38.15 77.69 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.729 -0.214 . . . . 25.0 111.306 -179.406 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 11.0 m 68.22 -34.16 0.25 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.99 1.478 . . . . 25.0 114.99 -178.794 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -160.27 172.55 17.16 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 103.781 -2.674 . . . . 25.0 103.781 175.977 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 30.9 m -105.92 150.81 25.3 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.145 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -99.65 -21.22 15.94 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.763 1.394 . . . . 25.0 114.763 -173.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.53 -47.71 55.22 Favored Glycine 0 C--O 1.218 -0.893 0 N-CA-C 110.085 -1.206 . . . . 25.0 110.085 -178.457 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.73 -36.51 79.04 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-N 115.127 -0.537 . . . . 25.0 110.675 179.428 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 77.8 t -68.63 -33.07 57.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.72 0.295 . . . . 25.0 110.473 177.72 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 50.8 m -66.82 -39.0 87.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 121.785 -0.572 . . . . 25.0 110.156 179.03 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -73.79 -33.44 64.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.46 0.648 . . . . 25.0 109.32 178.205 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 63.5 ttp -65.35 -33.35 75.77 Favored 'General case' 0 C--O 1.216 -0.692 0 CA-C-N 115.968 -0.56 . . . . 25.0 110.365 179.873 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -61.38 -30.59 70.64 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.027 0.441 . . . . 25.0 110.867 178.687 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -71.57 -36.04 70.79 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.843 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 61.0 t -67.99 -42.66 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 178.322 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 86.8 mt-10 -58.41 -44.19 88.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.323 0.582 . . . . 25.0 109.671 178.433 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.67 -40.0 94.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.808 -0.558 . . . . 25.0 111.059 179.215 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.66 -44.88 80.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.336 -0.393 . . . . 25.0 111.613 -178.516 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -69.76 -31.02 68.74 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 119.71 -0.796 . . . . 25.0 109.99 -179.108 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.95 -44.19 93.58 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.938 -0.477 . . . . 25.0 111.333 177.695 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -71.46 -32.22 68.07 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 119.412 -0.915 . . . . 25.0 110.724 179.966 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.4 mtm -67.73 -39.71 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.725 -0.472 . . . . 25.0 109.725 176.565 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 90.4 m -60.18 -40.58 90.47 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 110.078 -0.342 . . . . 25.0 110.078 178.457 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.79 -47.47 84.99 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.591 0.71 . . . . 25.0 109.198 178.357 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -60.29 -43.69 96.05 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.087 -0.961 . . . . 25.0 113.062 -177.81 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.98 -37.16 66.68 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.413 0 C-N-CA 120.391 -0.523 . . . . 25.0 112.296 -179.151 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.28 -42.3 93.29 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.914 -0.314 . . . . 25.0 110.676 178.309 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -67.4 -30.57 70.37 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.744 -0.382 . . . . 25.0 111.471 178.667 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -77.14 -18.21 58.05 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.759 0.314 . . . . 25.0 110.951 177.488 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 101.66 113.54 3.7 Favored Glycine 0 N--CA 1.452 -0.269 0 N-CA-C 109.738 -1.345 . . . . 25.0 109.738 -177.218 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -142.27 142.24 32.55 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.651 -1.241 . . . . 25.0 107.651 -178.369 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 40.0 mtt-85 46.57 -135.1 0.89 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.926 -1.034 . . . . 25.0 111.155 178.808 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -117.96 52.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 103.585 -2.746 . . . . 25.0 103.585 172.965 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 29.4 t0 66.92 -65.92 0.2 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.892 2.077 . . . . 25.0 113.702 -179.119 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -129.73 38.51 3.83 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 122.933 1.349 . . . . 25.0 112.299 -175.368 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -107.57 57.52 0.63 Allowed 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.01 -1.478 . . . . 25.0 107.01 179.888 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.86 154.84 55.39 Favored Pre-proline 0 CA--C 1.543 0.704 0 N-CA-C 115.601 1.704 . . . . 25.0 115.601 -175.775 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -78.98 0.44 10.02 Favored 'Trans proline' 0 C--N 1.352 0.754 0 N-CA-C 115.524 1.317 . . . . 25.0 115.524 -177.466 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -75.85 64.01 2.7 Favored Glycine 0 C--O 1.222 -0.605 0 CA-C-O 121.197 0.331 . . . . 25.0 112.461 177.151 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . 0.269 95.5 t 49.05 30.48 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.432 0 C-N-CA 125.857 1.663 . . . . 25.0 112.249 179.271 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 23.0 t -93.49 -157.92 0.58 Allowed 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 115.569 -0.742 . . . . 25.0 109.724 177.5 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -61.76 -15.96 49.79 Favored Glycine 0 CA--C 1.52 0.377 0 N-CA-C 115.979 1.152 . . . . 25.0 115.979 -177.356 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -83.51 10.13 9.68 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 117.86 0.83 . . . . 25.0 111.597 178.64 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 66.3 m -74.75 161.84 29.25 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.626 1.343 . . . . 25.0 114.626 -178.178 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -64.38 159.48 21.1 Favored 'General case' 0 C--O 1.207 -1.144 0 CA-C-N 114.038 -1.437 . . . . 25.0 109.066 175.05 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -100.66 -68.46 0.81 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.309 0.576 . . . . 25.0 111.181 173.894 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -62.88 -28.89 70.35 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 121.517 -0.739 . . . . 25.0 112.503 -178.751 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -62.25 -28.99 71.75 Favored Glycine 0 C--O 1.222 -0.603 0 CA-C-N 115.986 -0.552 . . . . 25.0 112.021 178.717 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . 0.41 ' HA ' HD23 ' A' ' 463' ' ' LEU . 92.4 mt-30 -65.42 -36.93 85.42 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 122.182 -0.599 . . . . 25.0 110.563 -179.405 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -63.02 -36.64 84.24 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -178.871 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -70.87 -43.53 68.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.602 -0.726 . . . . 25.0 110.71 177.631 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.3 OUTLIER -65.27 -35.06 79.85 Favored 'General case' 0 C--O 1.217 -0.616 0 O-C-N 122.109 -0.37 . . . . 25.0 111.121 -178.987 . . . . . . . . 3 3 . 1 . 041 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -56.04 -38.06 70.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.336 0.588 . . . . 25.0 110.481 175.865 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -73.06 -44.54 35.67 Favored Glycine 0 C--O 1.22 -0.734 0 N-CA-C 109.373 -1.491 . . . . 25.0 109.373 177.209 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.13 -39.6 66.62 Favored 'General case' 0 C--O 1.218 -0.594 0 C-N-CA 122.443 0.297 . . . . 25.0 111.729 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -65.88 -44.23 85.97 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.007 0.432 . . . . 25.0 111.586 178.836 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.23 85.82 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.147 0.498 . . . . 25.0 110.36 -178.341 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.5 m -71.57 -27.08 27.4 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.63 0 C-N-CA 120.933 -0.307 . . . . 25.0 110.89 -179.223 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.23 -33.06 67.16 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.989 0.359 . . . . 25.0 111.656 -179.199 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.19 93.78 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.706 -0.479 . . . . 25.0 109.706 177.627 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.67 -33.69 66.71 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.704 0.288 . . . . 25.0 110.588 177.479 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.42 ' HA ' HG12 ' A' ' 476' ' ' VAL . 58.7 mm-40 -70.28 -45.71 65.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.021 -0.425 . . . . 25.0 111.634 -179.17 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -64.46 -27.26 68.87 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 178.604 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.55 -52.39 18.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.821 -0.627 . . . . 25.0 110.567 177.021 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.42 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -63.76 -36.75 77.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 118.63 0.65 . . . . 25.0 109.274 -176.646 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -63.95 -36.04 82.64 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 116.032 -0.531 . . . . 25.0 110.018 177.873 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.49 90.35 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.557 -0.457 . . . . 25.0 110.22 -179.445 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.7 mt -70.68 -35.77 62.29 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.537 0 N-CA-C 109.71 -0.478 . . . . 25.0 109.71 -179.152 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.25 -26.95 65.34 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 121.606 0.717 . . . . 25.0 109.743 179.54 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.7 mt -80.55 -41.79 23.5 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 177.479 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 43.4 mtm -61.24 -30.17 70.28 Favored 'General case' 0 CA--C 1.505 -0.786 0 CA-C-O 120.787 0.327 . . . . 25.0 111.074 179.318 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 28.0 p -75.77 -33.97 60.22 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.445 -0.902 . . . . 25.0 110.277 -175.875 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -83.8 -30.32 26.66 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.353 -0.539 . . . . 25.0 111.769 177.278 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -77.78 -23.87 49.07 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 121.65 -0.656 . . . . 25.0 111.836 179.036 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -65.97 -25.34 72.0 Favored Glycine 0 C--O 1.227 -0.31 0 C-N-CA 120.994 -0.622 . . . . 25.0 112.483 178.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 44.39 37.62 2.12 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.338 1.236 . . . . 25.0 114.338 176.885 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -75.9 171.92 13.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.891 -0.595 . . . . 25.0 110.612 -178.494 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 150.35 -39.07 0.87 Allowed Glycine 0 C--O 1.224 -0.493 0 CA-C-O 122.051 0.806 . . . . 25.0 112.182 179.292 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.212 -0.905 0 CA-C-O 123.534 1.635 . . . . 25.0 114.67 -179.768 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.551 0 CA-C-O 122.481 1.045 . . . . 25.0 112.418 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 42.6 t -64.43 141.47 58.76 Favored 'General case' 0 C--N 1.34 0.178 0 O-C-N 121.09 -1.241 . . . . 25.0 109.959 178.883 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 33.5 mtp-105 -69.81 -23.93 63.39 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.675 0.62 . . . . 25.0 112.675 -177.62 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 33.6 p -159.86 143.2 14.11 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.244 -1.391 . . . . 25.0 107.244 179.302 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 42.4 p90 -162.74 168.9 20.82 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.917 -0.771 . . . . 25.0 108.917 -178.459 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 70.1 m -126.29 152.3 46.35 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 101.524 -3.51 . . . . 25.0 101.524 173.457 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.11 -33.71 71.17 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.873 1.435 . . . . 25.0 114.873 -171.01 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.1 -37.77 91.89 Favored Glycine 0 C--O 1.226 -0.347 0 C-N-CA 120.115 -1.04 . . . . 25.0 111.592 178.026 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -64.71 -31.83 73.23 Favored 'General case' 0 C--O 1.212 -0.901 0 C-N-CA 122.591 0.356 . . . . 25.0 110.813 -178.315 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.77 -27.58 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.846 0.355 . . . . 25.0 110.322 -178.329 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 52.2 m -67.96 -41.23 82.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 121.896 -0.503 . . . . 25.0 110.324 179.388 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.78 -34.08 60.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.456 0.646 . . . . 25.0 109.363 178.767 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 48.2 ttm -59.22 -44.22 92.31 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.633 -0.712 . . . . 25.0 109.26 178.674 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -65.52 -35.45 80.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.07 0.462 . . . . 25.0 110.283 -179.725 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.81 -46.27 66.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.422 -0.354 . . . . 25.0 111.262 -178.808 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 7.6 p -70.61 -37.2 68.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 121.018 -0.273 . . . . 25.0 110.6 -178.859 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -61.77 -43.2 99.31 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.495 -0.557 . . . . 25.0 109.495 177.207 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -63.97 -38.6 91.68 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.182 -0.324 . . . . 25.0 110.577 179.011 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.65 -45.53 86.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.542 -0.299 . . . . 25.0 110.428 179.919 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -61.95 -47.08 86.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.468 0.651 . . . . 25.0 109.427 179.738 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 43.6 mt -57.64 -41.61 81.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.546 -0.752 . . . . 25.0 112.348 -179.494 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -76.72 -37.17 56.5 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.232 -0.987 . . . . 25.0 112.858 178.355 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 74.4 mtm -64.49 -37.84 88.94 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 118.505 0.593 . . . . 25.0 110.535 179.794 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 89.8 m -53.85 -32.38 52.79 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 121.221 0.534 . . . . 25.0 111.345 179.803 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -68.23 -43.99 76.69 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.446 -0.784 . . . . 25.0 111.29 -178.836 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -72.15 -32.83 67.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 179.683 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.11 -40.66 88.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.506 -0.77 . . . . 25.0 109.976 176.256 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 53.2 mt -73.35 -14.84 61.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.996 0.369 . . . . 25.0 111.996 178.662 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 62.3 m170 -94.15 0.37 55.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.798 0.332 . . . . 25.0 110.393 177.392 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -97.79 101.84 13.45 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 -179.249 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -116.41 -165.94 14.28 Favored Glycine 0 CA--C 1.517 0.207 0 CA-C-O 122.007 0.782 . . . . 25.0 114.769 -178.25 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -158.79 171.48 20.0 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 102.302 -3.221 . . . . 25.0 102.302 179.854 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 54.3 mmm-85 53.14 -127.74 2.42 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.125 0.57 . . . . 25.0 110.209 -177.354 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.99 27.77 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.904 -0.776 . . . . 25.0 108.904 -178.94 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -77.51 -30.59 53.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.358 1.075 . . . . 25.0 109.243 -175.802 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -103.42 19.28 20.02 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.061 -1.427 . . . . 25.0 111.057 -178.215 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -100.67 22.41 11.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.326 1.232 . . . . 25.0 114.326 -174.475 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -70.54 136.83 85.95 Favored Pre-proline 0 C--N 1.321 -0.655 0 C-N-CA 120.546 -0.461 . . . . 25.0 110.33 178.944 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -77.75 -11.46 16.82 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 N-CA-C 113.754 0.636 . . . . 25.0 113.754 179.493 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 84.3 148.56 9.24 Favored Glycine 0 C--O 1.222 -0.634 0 N-CA-C 111.024 -0.83 . . . . 25.0 111.024 -177.236 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 61.9 t -75.28 -46.03 39.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 122.168 -0.607 . . . . 25.0 110.672 -179.767 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 51.7 m -156.27 76.97 0.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.834 -0.432 . . . . 25.0 109.834 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -177.19 -152.09 9.64 Favored Glycine 0 C--O 1.224 -0.517 0 C-N-CA 120.564 -0.827 . . . . 25.0 111.333 -177.589 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 61.31 -9.74 0.07 Allowed 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 117.695 2.48 . . . . 25.0 117.695 177.963 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 9.2 p -71.89 -55.95 6.59 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.995 1.109 . . . . 25.0 113.995 -179.38 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . 61.66 121.01 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 115.158 1.54 . . . . 25.0 115.158 -178.603 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -109.88 -69.68 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.602 0.715 . . . . 25.0 111.806 178.101 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -64.58 -28.13 69.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.062 0.458 . . . . 25.0 111.18 179.858 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -64.08 -33.68 87.9 Favored Glycine 0 C--O 1.224 -0.506 0 N-CA-C 111.694 -0.563 . . . . 25.0 111.694 178.088 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -64.78 -41.18 96.05 Favored 'General case' 0 C--O 1.221 -0.432 0 N-CA-C 108.652 -0.87 . . . . 25.0 108.652 178.867 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -69.13 -35.09 76.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.211 -0.45 . . . . 25.0 110.099 -178.56 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.81 97.69 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.472 -0.566 . . . . 25.0 109.472 177.421 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.79 -35.75 79.2 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.001 -0.437 . . . . 25.0 109.941 179.168 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -63.35 -31.37 72.51 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 121.257 -0.902 . . . . 25.0 110.411 176.477 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.21 -43.64 79.21 Favored Glycine 0 C--O 1.217 -0.922 0 N-CA-C 108.295 -1.922 . . . . 25.0 108.295 175.174 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.47 -40.09 74.3 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-O 120.736 0.303 . . . . 25.0 111.138 178.121 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -66.03 -41.59 90.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.408 0.623 . . . . 25.0 110.643 178.634 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.57 -44.09 83.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.347 -0.388 . . . . 25.0 110.64 -178.717 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.4 m -71.22 -27.64 30.03 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.957 0 C-N-CA 120.605 -0.438 . . . . 25.0 109.992 -180.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.64 -31.24 69.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.297 0.499 . . . . 25.0 110.374 179.45 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.19 83.07 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 109.583 -0.525 . . . . 25.0 109.583 176.718 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -75.99 -35.81 59.45 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.714 -0.221 . . . . 25.0 110.782 176.944 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.422 ' HA ' HG12 ' A' ' 476' ' ' VAL . 55.0 mm-40 -67.76 -46.32 72.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 121.911 -0.493 . . . . 25.0 111.822 -179.482 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -63.25 -27.6 69.45 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 109.165 -0.68 . . . . 25.0 109.165 178.316 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.08 -51.93 16.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.883 -0.599 . . . . 25.0 110.777 177.39 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.422 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.0 p -64.12 -38.46 82.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 118.669 0.668 . . . . 25.0 109.412 -176.044 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -65.51 -34.87 79.28 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 116.517 -0.31 . . . . 25.0 110.221 178.125 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.04 -43.76 86.99 Favored 'General case' 0 C--O 1.22 -0.499 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.664 -179.433 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.1 mt -71.44 -36.26 60.13 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.563 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 -179.444 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.32 -35.65 72.2 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.286 -1.005 . . . . 25.0 108.286 -179.654 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 17.4 mt -70.32 -40.35 74.21 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-O 121.357 0.598 . . . . 25.0 109.451 178.997 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 35.7 mtm -63.72 -23.74 67.49 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.399 -0.52 . . . . 25.0 112.074 179.089 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 81.3 p -82.82 -35.37 26.44 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.642 -0.823 . . . . 25.0 110.664 -178.757 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -78.08 -29.76 49.27 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 120.375 -0.53 . . . . 25.0 110.323 177.099 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -81.64 -17.6 47.57 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 121.931 -0.481 . . . . 25.0 111.888 178.013 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 66.3 18.64 67.59 Favored Glycine 0 C--O 1.225 -0.444 0 C-N-CA 121.073 -0.584 . . . . 25.0 112.497 -178.759 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -81.92 -9.31 59.62 Favored 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 112.571 0.582 . . . . 25.0 112.571 -174.55 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 50.42 -128.42 2.25 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 124.11 0.881 . . . . 25.0 110.778 179.274 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 86.44 7.84 78.61 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.177 -0.535 . . . . 25.0 114.414 178.769 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.207 -1.164 0 CA-C-O 124.209 1.957 . . . . 25.0 111.177 177.825 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 CA-C-O 122.647 1.137 . . . . 25.0 112.578 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 48.5 t -66.47 144.78 56.28 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 121.467 -1.019 . . . . 25.0 109.764 179.4 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -128.06 65.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.072 -1.084 . . . . 25.0 108.072 -178.91 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 14.8 m 69.51 177.02 0.27 Allowed 'General case' 0 N--CA 1.474 0.727 0 O-C-N 125.052 1.47 . . . . 25.0 110.161 -176.154 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -84.74 153.79 22.82 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.064 0.459 . . . . 25.0 110.183 -178.841 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 49.6 m -83.88 145.69 28.48 Favored 'General case' 0 CA--C 1.51 -0.577 0 N-CA-C 107.121 -1.436 . . . . 25.0 107.121 175.186 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.96 -20.05 61.8 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.755 -0.657 . . . . 25.0 111.12 -176.142 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.04 -34.33 81.29 Favored Glycine 0 C--O 1.213 -1.208 0 N-CA-C 109.94 -1.264 . . . . 25.0 109.94 176.137 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.73 -35.63 81.29 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 108.935 -0.765 . . . . 25.0 108.935 -178.86 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 43.1 t -69.53 -36.15 69.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 178.668 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.4 m -67.92 -39.82 83.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.335 -0.393 . . . . 25.0 110.369 179.354 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -71.0 -33.1 70.06 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.298 -0.63 . . . . 25.0 109.298 178.531 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 3.0 mtm -64.19 -35.8 81.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 178.278 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.03 -31.23 72.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.935 0.398 . . . . 25.0 109.994 179.301 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.23 -37.5 75.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.076 -0.713 . . . . 25.0 109.076 177.427 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 93.5 t -65.29 -45.6 93.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 108.281 -1.007 . . . . 25.0 108.281 177.178 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.83 -43.37 85.78 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 110.247 -0.279 . . . . 25.0 110.247 179.392 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.55 89.73 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 122.269 -0.269 . . . . 25.0 111.078 179.499 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.03 -41.96 90.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.833 0.349 . . . . 25.0 110.786 179.665 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . 0.416 ' HA ' ' HG2' ' A' ' 433' ' ' MET . 49.5 mt-10 -67.11 -42.96 83.66 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 122.421 1.105 . . . . 25.0 109.994 179.312 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 28.5 mt -58.06 -46.92 84.6 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.35 -1.296 . . . . 25.0 110.32 -179.651 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -73.74 -34.46 64.76 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 113.509 0.929 . . . . 25.0 113.509 179.323 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 430' ' ' GLU . 20.5 ptp -66.44 -32.27 73.54 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-N 118.829 0.74 . . . . 25.0 110.216 -179.594 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 31.3 m -66.98 -33.98 76.76 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.357 -0.537 . . . . 25.0 109.571 -179.185 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 49.4 mtt-85 -67.93 -41.07 83.16 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 178.387 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -61.0 -45.03 96.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.874 -178.442 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.6 m -71.11 -36.32 62.37 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -178.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.38 -30.49 70.28 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.168 0.433 . . . . 25.0 112.168 179.41 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -92.51 -2.8 55.95 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.554 0.575 . . . . 25.0 112.554 179.775 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -80.39 34.14 0.31 Allowed 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.588 0.959 . . . . 25.0 113.588 -178.41 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -160.13 156.54 27.79 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.923 -0.656 . . . . 25.0 112.163 179.408 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -162.25 -177.3 5.62 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 104.133 -2.543 . . . . 25.0 104.133 -179.028 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 68.7 mtp85 -65.39 134.9 54.51 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.514 -0.921 . . . . 25.0 108.514 177.081 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -87.92 59.48 5.37 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.896 -1.89 . . . . 25.0 105.896 171.772 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 33.7 t0 58.74 -67.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 127.938 2.495 . . . . 25.0 115.501 -177.258 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -130.62 11.76 5.3 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 115.372 1.619 . . . . 25.0 115.372 -172.015 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -85.25 44.94 1.13 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.865 -1.061 . . . . 25.0 110.806 -176.987 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -78.47 157.47 77.48 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 115.155 -0.929 . . . . 25.0 109.914 179.996 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -78.6 2.59 8.0 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 120.569 0.846 . . . . 25.0 114.167 -179.665 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -122.64 -161.26 11.18 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 108.256 -1.938 . . . . 25.0 108.256 179.119 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 2.0 p -80.72 116.2 24.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 N-CA-C 108.173 -1.047 . . . . 25.0 108.173 179.745 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 23.3 t -149.84 -59.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.155 -0.683 . . . . 25.0 109.155 179.452 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -75.82 64.7 2.62 Favored Glycine 0 C--O 1.224 -0.475 0 CA-C-N 116.158 -0.474 . . . . 25.0 113.821 177.726 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -63.29 -29.43 70.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.019 -0.695 . . . . 25.0 111.351 -179.636 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 51.4 p -104.02 11.67 35.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.226 -0.443 . . . . 25.0 111.628 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -61.84 127.85 33.39 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.754 0.787 . . . . 25.0 111.81 -177.238 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -105.76 -76.65 0.6 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 176.012 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -66.24 -26.28 67.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.267 0.556 . . . . 25.0 110.018 176.463 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -57.51 -32.52 64.78 Favored Glycine 0 C--O 1.217 -0.968 0 CA-C-N 115.274 -0.875 . . . . 25.0 111.795 177.17 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.93 -42.96 99.19 Favored 'General case' 0 C--O 1.218 -0.578 0 CA-C-N 118.177 0.988 . . . . 25.0 110.821 178.724 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -70.98 -34.24 71.21 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.319 -0.552 . . . . 25.0 109.541 -179.31 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.62 -44.21 94.59 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.716 -0.476 . . . . 25.0 109.716 177.165 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -37.42 86.47 Favored 'General case' 0 C--O 1.215 -0.762 0 O-C-N 122.26 -0.275 . . . . 25.0 110.412 179.703 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -60.24 -36.78 78.54 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.4 -0.812 . . . . 25.0 110.419 176.464 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -68.29 -44.86 73.09 Favored Glycine 0 C--O 1.222 -0.654 0 N-CA-C 109.076 -1.61 . . . . 25.0 109.076 176.028 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.43 -40.03 64.84 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 123.062 0.545 . . . . 25.0 111.848 -179.472 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -65.4 -43.86 89.3 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.09 0.471 . . . . 25.0 111.5 179.558 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.68 -44.82 73.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.194 0.521 . . . . 25.0 110.643 -177.966 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.6 m -70.21 -26.49 29.53 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.113 0 CA-C-N 116.312 -0.404 . . . . 25.0 110.795 -178.971 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -55.85 -34.7 65.68 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 118.432 0.56 . . . . 25.0 111.224 -179.925 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.76 86.97 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 109.644 -0.502 . . . . 25.0 109.644 177.569 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.68 -34.01 66.92 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 116.696 -0.229 . . . . 25.0 110.81 177.149 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.489 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.0 mm-40 -69.43 -46.51 66.63 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 -179.558 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -63.11 -26.53 68.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 178.366 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.4 tp -75.23 -52.25 11.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.445 -0.798 . . . . 25.0 111.661 176.621 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.4 p -62.54 -36.01 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 118.86 0.755 . . . . 25.0 110.119 -175.748 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.9 t-160 -62.26 -35.5 79.16 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.168 178.458 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.6 -44.04 97.74 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.678 -0.409 . . . . 25.0 110.091 -179.843 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.8 mt -71.2 -34.11 53.29 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.806 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 -179.514 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.28 65.11 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.591 0.71 . . . . 25.0 109.452 179.477 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.6 mt -78.99 -43.19 24.93 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 109.521 -0.548 . . . . 25.0 109.521 176.627 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 45.4 mtm -61.81 -27.21 68.6 Favored 'General case' 0 CA--C 1.505 -0.763 0 CA-C-N 116.488 -0.324 . . . . 25.0 111.606 -179.929 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 32.6 p -78.69 -35.49 44.99 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 119.655 -0.818 . . . . 25.0 110.394 -176.811 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -79.77 -30.44 40.69 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.275 -0.57 . . . . 25.0 110.277 176.386 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -70.86 -25.78 62.97 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 175.791 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -74.77 0.85 55.91 Favored Glycine 0 C--O 1.222 -0.595 0 CA-C-N 116.241 -0.436 . . . . 25.0 113.059 177.073 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 28.6 mmt85 -111.02 28.0 9.14 Favored 'General case' 0 C--O 1.222 -0.379 0 N-CA-C 105.532 -2.025 . . . . 25.0 105.532 176.791 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 59.78 32.62 21.45 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 114.399 -1.273 . . . . 25.0 111.89 -178.511 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -77.79 59.19 3.83 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-O 122.414 1.008 . . . . 25.0 111.983 178.646 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.213 -0.858 0 CA-C-O 123.573 1.654 . . . . 25.0 113.153 -178.275 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 CA-C-O 122.803 1.224 . . . . 25.0 112.731 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 98.3 p -152.43 178.88 9.08 Favored 'General case' 0 CA--C 1.521 -0.17 0 O-C-N 121.213 -1.169 . . . . 25.0 108.376 -179.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -127.16 73.0 1.39 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 107.283 -1.377 . . . . 25.0 107.283 177.322 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 46.0 p -147.9 159.89 43.38 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.227 -1.397 . . . . 25.0 107.227 -177.549 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -143.44 163.64 32.54 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 -178.592 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 83.6 p -100.96 162.23 13.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.457 -1.312 . . . . 25.0 107.457 174.449 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -73.97 -14.2 61.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.883 -0.599 . . . . 25.0 111.329 -176.535 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -68.99 -41.81 80.33 Favored Glycine 0 C--O 1.216 -0.972 0 N-CA-C 108.614 -1.794 . . . . 25.0 108.614 176.211 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -63.71 -35.27 80.02 Favored 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 109.833 -0.432 . . . . 25.0 109.833 -179.987 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 46.9 t -70.04 -35.3 63.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.079 0.466 . . . . 25.0 109.936 178.948 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.5 m -67.84 -38.38 83.1 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 178.873 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -72.76 -29.6 63.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.965 -0.562 . . . . 25.0 110.276 178.909 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 48.4 ttm -59.62 -35.64 74.75 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.598 0.359 . . . . 25.0 111.369 -179.339 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -59.99 -33.68 72.3 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.129 0.49 . . . . 25.0 110.792 178.435 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -74.64 -34.97 62.86 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.778 -0.452 . . . . 25.0 109.778 178.64 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.68 -42.05 91.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.328 -0.619 . . . . 25.0 109.328 178.48 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.82 -44.44 90.86 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.042 0.449 . . . . 25.0 110.062 178.31 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -65.71 -39.19 90.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.851 0.358 . . . . 25.0 110.566 179.177 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.31 -43.41 94.77 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.525 179.864 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -61.35 -44.74 96.66 Favored 'General case' 0 CA--C 1.505 -0.757 0 CA-C-O 121.718 0.771 . . . . 25.0 109.906 179.406 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 51.8 mt -56.96 -46.63 82.0 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.208 -0.906 . . . . 25.0 111.647 179.528 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -74.08 -34.46 64.0 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.012 0.824 . . . . 25.0 113.014 177.386 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 63.0 mtm -65.4 -35.93 82.44 Favored 'General case' 0 CA--C 1.51 -0.596 0 O-C-N 121.681 -0.637 . . . . 25.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 92.9 m -53.5 -34.05 56.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.333 0.587 . . . . 25.0 110.841 178.941 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -67.93 -42.34 81.18 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.839 -0.538 . . . . 25.0 110.105 -178.255 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -71.13 -37.76 72.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.694 -0.854 . . . . 25.0 108.694 -179.826 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.94 -36.96 75.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.79 -1.095 . . . . 25.0 111.848 -179.748 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 50.3 mt -68.19 -14.38 62.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.144 0.424 . . . . 25.0 112.144 179.143 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -114.72 18.78 16.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.9 0.381 . . . . 25.0 110.093 178.203 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -148.07 -158.44 0.91 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.165 0.507 . . . . 25.0 110.14 -178.59 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 146.43 -175.86 25.65 Favored Glycine 0 C--O 1.226 -0.405 0 N-CA-C 107.257 -2.337 . . . . 25.0 107.257 179.852 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 49.95 64.64 1.69 Allowed 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.797 1.036 . . . . 25.0 113.797 177.851 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -100.97 143.56 30.97 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 176.583 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -162.83 24.92 0.09 Allowed 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 104.935 -2.246 . . . . 25.0 104.935 178.934 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -71.88 -25.5 61.96 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.196 -1.366 . . . . 25.0 110.438 -172.3 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -116.94 11.87 14.48 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.586 -1.188 . . . . 25.0 107.859 178.68 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . 49.84 46.85 23.78 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 113.403 -1.726 . . . . 25.0 112.604 -174.835 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -52.58 150.68 8.88 Favored Pre-proline 0 C--O 1.246 0.877 0 CA-C-O 121.613 0.721 . . . . 25.0 112.503 179.39 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -73.86 170.39 20.18 Favored 'Trans proline' 0 C--N 1.346 0.446 0 N-CA-C 114.97 1.104 . . . . 25.0 114.97 -175.89 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 178.48 -39.91 0.08 OUTLIER Glycine 0 C--O 1.219 -0.836 0 N-CA-C 110.422 -1.071 . . . . 25.0 110.422 179.46 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.72 -32.29 56.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 108.992 -0.744 . . . . 25.0 108.992 177.873 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -23.42 63.52 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 114.378 1.251 . . . . 25.0 114.378 -179.424 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 171.81 164.46 27.44 Favored Glycine 0 C--O 1.223 -0.562 0 C-N-CA 120.676 -0.773 . . . . 25.0 112.098 -179.152 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -72.6 -3.61 25.83 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 113.561 0.949 . . . . 25.0 113.561 -177.821 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 21.1 m -79.48 65.89 4.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.008 0.432 . . . . 25.0 111.356 179.972 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -153.63 157.18 39.25 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 105.56 -2.015 . . . . 25.0 105.56 -179.376 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -105.66 -76.79 0.6 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 118.207 0.458 . . . . 25.0 110.099 178.372 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.4 m-90 -78.21 -25.15 46.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.026 -0.731 . . . . 25.0 109.026 179.398 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -52.98 -28.94 33.85 Favored Glycine 0 C--O 1.222 -0.652 0 CA-C-N 115.011 -0.995 . . . . 25.0 113.659 173.834 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . 0.458 ' HA ' HD23 ' A' ' 463' ' ' LEU . 76.6 mt-30 -59.47 -35.32 73.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.625 -0.927 . . . . 25.0 110.265 177.014 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -76.18 -34.97 59.32 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 179.465 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -63.77 -39.22 93.74 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.997 -0.547 . . . . 25.0 109.76 177.733 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.3 OUTLIER -64.84 -35.78 82.2 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.808 -0.442 . . . . 25.0 109.808 179.571 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -60.5 -37.23 80.41 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.769 -0.582 . . . . 25.0 109.579 178.469 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -70.27 -47.12 46.0 Favored Glycine 0 C--O 1.22 -0.774 0 N-CA-C 109.557 -1.417 . . . . 25.0 109.557 176.559 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.36 -38.49 63.34 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.408 0.522 . . . . 25.0 112.408 -179.631 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -68.76 -43.53 75.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.221 0.534 . . . . 25.0 110.897 178.831 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.53 -44.15 83.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.047 0.451 . . . . 25.0 110.655 -178.131 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 19.0 m -69.07 -31.4 50.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 C-N-CA 120.863 -0.335 . . . . 25.0 110.198 -179.754 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.87 -33.85 67.24 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.211 0.459 . . . . 25.0 111.346 -179.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.6 88.07 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 110.007 -0.368 . . . . 25.0 110.007 177.53 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.69 -36.85 67.97 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.51 0.195 . . . . 25.0 110.624 176.589 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG12 ' A' ' 476' ' ' VAL . 39.4 mm-40 -65.68 -45.66 82.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.952 0.406 . . . . 25.0 111.847 -179.155 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -64.45 -27.1 68.75 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.801 -0.562 . . . . 25.0 109.492 178.79 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.77 -51.16 17.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.881 -0.599 . . . . 25.0 110.805 177.428 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.8 p -63.03 -36.31 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 118.836 0.743 . . . . 25.0 109.485 -176.15 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -62.49 -36.43 82.49 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 115.723 -0.671 . . . . 25.0 110.155 178.376 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.72 -45.4 89.7 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.773 -0.371 . . . . 25.0 110.351 -179.4 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.51 -35.24 60.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 C-N-CA 120.543 -0.463 . . . . 25.0 109.898 -178.874 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.16 -27.82 66.01 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.412 0.625 . . . . 25.0 109.782 179.671 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -78.43 -43.12 28.08 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-O 121.259 0.552 . . . . 25.0 110.096 176.486 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 42.0 mtm -60.8 -26.94 67.66 Favored 'General case' 0 CA--C 1.498 -1.03 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.911 -179.055 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 38.8 p -77.85 -37.67 47.79 Favored 'General case' 0 C--N 1.316 -0.887 0 C-N-CA 118.841 -1.144 . . . . 25.0 109.848 -176.145 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -81.65 -23.83 36.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.758 -0.377 . . . . 25.0 111.338 178.625 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -79.77 -37.85 34.47 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 121.767 -0.583 . . . . 25.0 110.061 176.097 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -69.67 -42.93 69.88 Favored Glycine 0 C--O 1.224 -0.469 0 N-CA-C 111.836 -0.505 . . . . 25.0 111.836 179.756 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 38.75 45.21 0.9 Allowed 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.061 1.504 . . . . 25.0 115.061 176.869 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -139.71 -157.3 0.75 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.796 -1.093 . . . . 25.0 109.095 -177.382 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 84.83 39.95 8.43 Favored Glycine 0 C--O 1.226 -0.406 0 CA-C-O 122.166 0.87 . . . . 25.0 112.611 -179.993 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 116.096 1.888 . . . . 25.0 116.096 -177.786 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.722 0 CA-C-O 124.887 2.382 . . . . 25.0 110.397 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 14.4 t -70.54 -4.32 22.39 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 112.286 -1.957 . . . . 25.0 113.154 -178.247 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 67.24 171.53 0.26 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.586 1.154 . . . . 25.0 111.226 -178.568 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 8.0 m 59.21 -160.05 0.29 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.46 -0.791 . . . . 25.0 109.591 -176.965 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -159.9 145.4 15.43 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.249 -1.389 . . . . 25.0 107.249 177.506 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.6 m -92.79 36.11 1.03 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 123.355 0.662 . . . . 25.0 111.501 -179.37 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.6 mm? 64.41 -47.81 0.31 Allowed 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 116.449 2.018 . . . . 25.0 116.449 178.993 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -65.33 -31.72 81.35 Favored Glycine 0 C--O 1.221 -0.677 0 N-CA-C 109.472 -1.451 . . . . 25.0 109.472 177.453 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.18 -18.48 64.53 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 112.07 0.396 . . . . 25.0 112.07 179.432 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 60.4 t -74.14 -35.34 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.138 -1.06 . . . . 25.0 108.138 177.829 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 40.4 m -70.42 -37.56 74.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 177.649 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -67.39 -34.78 77.97 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.346 -0.613 . . . . 25.0 109.346 178.814 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 46.1 ttm -61.59 -38.26 86.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.269 -0.423 . . . . 25.0 110.677 -179.977 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.69 -33.35 75.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.991 0.425 . . . . 25.0 110.064 179.498 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.77 -36.41 75.74 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.78 -0.452 . . . . 25.0 109.78 178.314 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 84.5 t -65.95 -45.43 91.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.093 -0.706 . . . . 25.0 109.093 178.123 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.31 -44.21 95.65 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.039 -0.356 . . . . 25.0 110.039 179.332 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.87 97.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.786 -0.188 . . . . 25.0 110.748 179.444 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -62.87 -43.69 98.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.688 -0.233 . . . . 25.0 110.945 -179.666 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.32 -41.58 89.45 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.749 0.785 . . . . 25.0 110.069 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 52.6 mt -62.58 -45.23 93.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.863 -0.608 . . . . 25.0 111.041 179.971 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -75.92 -32.71 59.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 113.545 0.943 . . . . 25.0 113.545 -179.853 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 16.4 ptp -65.08 -35.11 80.12 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 118.725 0.693 . . . . 25.0 110.372 -177.893 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 26.3 m -66.62 -35.59 80.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.359 0.6 . . . . 25.0 109.835 -178.769 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -69.57 -39.05 77.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.64 -0.874 . . . . 25.0 108.64 178.18 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -63.56 -41.43 98.42 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 114.981 -1.009 . . . . 25.0 113.19 -179.4 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 24.5 m -73.97 -33.39 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 179.976 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 65.7 mt -67.5 -41.78 83.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 111.52 0.193 . . . . 25.0 111.52 179.366 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -83.03 -54.69 4.87 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.333 0.587 . . . . 25.0 109.986 179.37 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . 50.65 -156.71 0.11 Allowed 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 114.643 -1.162 . . . . 25.0 113.45 -179.768 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 165.71 -154.56 25.3 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 108.266 -1.934 . . . . 25.0 108.266 -178.201 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . 48.84 47.45 21.31 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 177.269 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 3.5 mpt_? -73.24 133.95 44.13 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.026 -1.472 . . . . 25.0 107.026 178.979 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -110.18 29.63 7.49 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.992 0.901 . . . . 25.0 108.668 -177.507 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.93 -32.5 72.99 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.913 -1.039 . . . . 25.0 112.903 -175.093 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -105.97 48.4 0.84 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.955 0.883 . . . . 25.0 110.705 -176.529 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -118.99 22.39 11.94 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.911 179.731 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -75.79 151.56 84.59 Favored Pre-proline 0 C--N 1.321 -0.653 0 C-N-CA 120.166 -0.614 . . . . 25.0 110.236 -178.761 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -82.66 43.72 1.54 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 120.939 1.093 . . . . 25.0 112.571 177.732 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -160.29 -135.55 1.86 Allowed Glycine 0 C--N 1.315 -0.587 0 CA-C-N 114.733 -1.121 . . . . 25.0 113.699 -175.854 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.28 -38.3 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 122.94 0.496 . . . . 25.0 111.648 -178.055 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 5.0 t -167.19 37.4 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 109.481 -0.563 . . . . 25.0 109.481 -179.003 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 76.12 -80.54 1.1 Allowed Glycine 0 CA--C 1.516 0.13 0 N-CA-C 110.71 -0.956 . . . . 25.0 110.71 -174.835 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -151.0 143.21 24.12 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 103.89 -2.633 . . . . 25.0 103.89 177.702 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.7 t 64.54 -174.48 0.17 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.779 0.675 . . . . 25.0 109.751 -175.193 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -116.12 112.04 21.12 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 121.19 0.519 . . . . 25.0 109.852 -179.262 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -100.79 -73.4 0.64 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.765 -1.107 . . . . 25.0 110.03 177.635 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -65.2 -28.87 69.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.629 0.728 . . . . 25.0 110.04 178.641 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -55.89 -28.85 53.94 Favored Glycine 0 C--O 1.224 -0.53 0 CA-C-N 115.062 -0.972 . . . . 25.0 113.343 178.027 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . 0.451 ' HA ' HD23 ' A' ' 463' ' ' LEU . 83.2 mt-30 -61.39 -36.67 80.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 117.687 0.743 . . . . 25.0 111.261 179.479 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 30.9 mmt180 -76.28 -34.52 59.1 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 -178.049 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.34 83.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.868 -0.606 . . . . 25.0 110.984 177.956 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 460' ' ' GLN . 0.3 OUTLIER -63.83 -33.46 75.74 Favored 'General case' 0 C--O 1.218 -0.585 0 O-C-N 122.079 -0.388 . . . . 25.0 110.092 -179.833 . . . . . . . . 3 3 . 1 . 045 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -62.98 -34.34 77.33 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.322 -0.551 . . . . 25.0 110.12 178.062 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.12 -45.27 62.75 Favored Glycine 0 C--O 1.221 -0.7 0 N-CA-C 108.422 -1.871 . . . . 25.0 108.422 175.814 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.73 -38.98 67.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 122.398 0.279 . . . . 25.0 111.646 179.773 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.0 mm-40 -64.43 -46.06 84.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.135 0.493 . . . . 25.0 111.072 178.425 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.67 -44.69 81.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.34 -0.391 . . . . 25.0 110.994 -177.819 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.1 m -69.47 -28.47 38.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.902 0 C-N-CA 120.658 -0.417 . . . . 25.0 110.63 -178.885 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -57.23 -34.7 68.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 118.487 0.585 . . . . 25.0 111.067 179.994 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.49 87.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 109.748 -0.464 . . . . 25.0 109.748 177.742 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.75 -35.88 67.58 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.705 -0.225 . . . . 25.0 110.777 177.337 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.41 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.5 mm-40 -66.75 -46.54 75.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.933 -0.479 . . . . 25.0 111.781 -179.912 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -64.73 -27.15 68.71 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 120.096 -0.641 . . . . 25.0 109.517 178.737 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.27 -51.57 20.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.719 -0.673 . . . . 25.0 110.997 176.552 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 473' ' ' GLN . 14.9 p -62.75 -35.04 68.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 CA-C-N 118.855 0.752 . . . . 25.0 109.808 -176.327 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -62.42 -34.98 77.82 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.922 -0.581 . . . . 25.0 110.664 178.096 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.39 98.78 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.843 -0.343 . . . . 25.0 110.31 179.195 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.91 -34.66 56.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 N-CA-C 109.623 -0.51 . . . . 25.0 109.623 -179.925 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.99 64.1 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.521 0.677 . . . . 25.0 110.053 179.394 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.1 mt -77.49 -42.96 33.8 Favored 'General case' 0 C--O 1.217 -0.653 0 CA-C-O 121.317 0.579 . . . . 25.0 109.658 176.001 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.6 mtm -62.1 -28.09 69.38 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.129 -0.357 . . . . 25.0 110.991 -179.549 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 35.9 p -78.7 -15.27 58.68 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.233 -0.587 . . . . 25.0 112.214 -176.426 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -107.69 -26.41 10.85 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.686 0.254 . . . . 25.0 111.686 176.481 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -84.08 -28.99 27.17 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 121.812 -0.555 . . . . 25.0 112.116 177.349 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -66.2 -31.63 79.76 Favored Glycine 0 C--O 1.225 -0.467 0 C-N-CA 121.078 -0.582 . . . . 25.0 114.103 -178.167 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 46.96 29.38 1.02 Allowed 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 115.392 1.627 . . . . 25.0 115.392 176.828 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -85.95 167.42 15.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 -179.934 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . 97.69 -6.7 62.86 Favored Glycine 0 C--O 1.227 -0.284 0 C-N-CA 121.377 -0.439 . . . . 25.0 114.023 177.752 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.208 -1.106 0 CA-C-O 123.811 1.767 . . . . 25.0 111.868 179.019 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.446 0 CA-C-O 122.537 1.076 . . . . 25.0 112.285 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 17.2 m -69.66 144.11 53.0 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.213 -1.169 . . . . 25.0 109.414 179.314 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 -67.84 -24.55 65.28 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 110.857 -0.053 . . . . 25.0 110.857 179.678 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 4.7 t 65.24 -179.65 0.19 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.227 0.954 . . . . 25.0 110.237 -177.073 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -165.19 157.78 15.87 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 179.99 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . 0.579 ' H ' ' HG3' ' A' ' 419' ' ' GLU . 16.0 m -103.11 41.07 1.29 Allowed 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 122.868 0.467 . . . . 25.0 110.583 177.462 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.2 mm? 62.59 -54.96 0.16 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 116.861 2.171 . . . . 25.0 116.861 177.963 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -67.84 -26.23 73.94 Favored Glycine 0 C--O 1.221 -0.707 0 N-CA-C 108.476 -1.85 . . . . 25.0 108.476 177.007 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . 0.579 ' HG3' ' H ' ' A' ' 416' ' ' SER . 5.2 mm-40 -63.01 -26.41 68.84 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-N 114.503 -0.849 . . . . 25.0 110.88 178.678 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.73 -30.86 49.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.507 0 N-CA-C 109.576 -0.527 . . . . 25.0 109.576 -177.746 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 70.9 m -66.0 -39.44 90.3 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.954 -0.466 . . . . 25.0 110.433 178.649 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -72.84 -37.39 67.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.699 0.761 . . . . 25.0 109.248 179.4 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 30.3 ttm -63.21 -38.11 89.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.732 -0.667 . . . . 25.0 109.384 -178.733 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.97 74.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.978 -0.555 . . . . 25.0 109.878 178.815 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.42 75.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.003 -0.74 . . . . 25.0 109.003 178.977 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 93.4 t -65.52 -45.79 91.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.292 0.567 . . . . 25.0 109.514 178.047 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.65 -42.24 96.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.823 -0.436 . . . . 25.0 109.823 179.019 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.33 87.05 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.163 -0.31 . . . . 25.0 110.163 178.59 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.26 92.79 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.966 0.412 . . . . 25.0 110.098 179.612 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -64.12 -44.49 92.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.48 0.657 . . . . 25.0 109.302 179.438 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 45.1 mt -61.77 -42.7 99.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.76 -0.655 . . . . 25.0 111.613 -179.878 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -73.72 -32.04 63.69 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 119.155 -1.018 . . . . 25.0 112.389 -178.625 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 61.8 mtm -69.11 -35.47 76.46 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.017 0.371 . . . . 25.0 110.381 176.794 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 93.4 m -54.17 -30.12 48.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 121.56 0.695 . . . . 25.0 110.706 178.542 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -63.58 -41.66 98.35 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 121.9 -0.5 . . . . 25.0 111.889 -179.275 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 9.3 mp0 -74.64 -37.29 62.8 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.311 0.577 . . . . 25.0 109.57 178.465 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 22.7 t -59.38 -40.48 81.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.306 -0.861 . . . . 25.0 110.636 178.805 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 42.3 mt -66.21 -19.81 65.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.961 0.726 . . . . 25.0 112.961 178.675 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.46 3.54 50.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.858 0.361 . . . . 25.0 111.895 179.82 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -104.4 165.93 10.73 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.967 0.413 . . . . 25.0 110.492 -178.097 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -69.29 145.28 42.38 Favored Glycine 0 C--O 1.229 -0.158 0 N-CA-C 108.542 -1.823 . . . . 25.0 108.542 176.399 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -140.93 -169.75 2.89 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.739 0.781 . . . . 25.0 110.258 -177.623 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -91.65 161.56 14.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.499 -1.228 . . . . 25.0 111.525 -177.284 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -105.02 34.72 3.07 Favored 'General case' 0 C--O 1.217 -0.656 0 N-CA-C 106.873 -1.529 . . . . 25.0 106.873 176.851 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 3.5 t0 66.47 -42.61 0.4 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 126.639 1.976 . . . . 25.0 115.164 -177.089 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -81.36 57.27 3.18 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 123.637 1.684 . . . . 25.0 108.689 178.339 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -115.41 51.04 0.95 Allowed 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 113.239 -1.8 . . . . 25.0 108.405 175.744 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -95.46 162.04 25.83 Favored Pre-proline 0 CA--C 1.54 0.58 0 N-CA-C 108.943 -0.762 . . . . 25.0 108.943 -179.675 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.63 163.14 38.13 Favored 'Trans proline' 0 C--O 1.217 -0.567 0 CA-C-O 121.594 0.581 . . . . 25.0 113.278 -179.597 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -73.83 -3.59 64.17 Favored Glycine 0 C--O 1.226 -0.375 0 N-CA-C 115.539 0.976 . . . . 25.0 115.539 -176.48 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.26 116.8 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 176.608 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 6.0 t 60.64 -175.96 0.11 Allowed 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 114.967 -1.015 . . . . 25.0 110.537 -176.105 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -103.84 175.52 23.3 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 110.571 -1.011 . . . . 25.0 110.571 179.862 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -59.31 143.26 49.91 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 116.984 0.392 . . . . 25.0 110.131 178.415 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 68.9 m -132.59 144.97 50.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.989 0.423 . . . . 25.0 111.145 179.899 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -96.37 147.62 23.62 Favored 'General case' 0 C--O 1.211 -0.942 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 178.218 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -110.23 -79.24 0.58 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.172 1.175 . . . . 25.0 114.172 -178.94 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -63.35 -29.24 70.58 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 -179.848 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.35 -32.54 84.48 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.495 -0.642 . . . . 25.0 111.495 177.774 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -68.22 -40.2 82.16 Favored 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 108.951 -0.759 . . . . 25.0 108.951 179.374 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -63.04 -37.24 86.39 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.322 -0.551 . . . . 25.0 110.238 -178.917 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.67 -46.16 80.16 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.391 -0.368 . . . . 25.0 110.24 178.289 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -37.22 86.9 Favored 'General case' 0 C--O 1.209 -1.047 0 C-N-CA 120.998 -0.281 . . . . 25.0 110.435 -179.831 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -63.69 -32.27 73.71 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.866 -0.521 . . . . 25.0 110.967 178.155 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -64.63 -46.58 89.6 Favored Glycine 0 C--O 1.219 -0.84 0 N-CA-C 107.703 -2.159 . . . . 25.0 107.703 175.741 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.84 71.11 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-O 120.693 0.283 . . . . 25.0 111.679 178.677 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -66.63 -43.53 84.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.294 0.569 . . . . 25.0 110.989 178.44 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.33 83.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.257 -0.429 . . . . 25.0 110.672 -178.505 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 18.7 m -69.85 -27.1 31.86 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.363 0 CA-C-O 119.049 -0.5 . . . . 25.0 110.531 -179.656 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -59.22 -35.79 74.26 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.732 0.696 . . . . 25.0 110.396 179.449 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.44 87.25 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.125 -0.694 . . . . 25.0 109.125 178.186 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.8 -32.09 65.3 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.033 -0.53 . . . . 25.0 110.809 178.019 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -69.9 -44.68 69.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 122.195 -0.316 . . . . 25.0 110.936 -179.666 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -65.99 -27.41 68.12 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.041 -0.664 . . . . 25.0 109.804 177.547 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.13 -50.6 31.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.459 176.956 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 14.0 p -63.86 -36.63 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 119.854 -0.738 . . . . 25.0 109.787 -178.521 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.2 t-160 -63.94 -35.31 80.25 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.98 -0.555 . . . . 25.0 110.69 177.156 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 481' ' ' LEU . . . -59.96 -42.61 94.47 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.928 -0.482 . . . . 25.0 110.592 179.487 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.9 mt -71.96 -34.97 52.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -179.49 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.56 -25.59 64.67 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.594 0.711 . . . . 25.0 109.943 178.479 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 478' ' ' ALA . 15.2 mt -78.08 -41.19 36.13 Favored 'General case' 0 C--O 1.21 -1.005 0 O-C-N 121.734 -0.604 . . . . 25.0 109.538 176.244 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 48.0 mtm -63.81 -30.04 71.17 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.413 -0.515 . . . . 25.0 111.069 -179.836 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 44.4 p -75.72 -36.94 59.82 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.113 -0.635 . . . . 25.0 110.412 -177.465 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -79.82 -26.55 40.45 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.193 -0.603 . . . . 25.0 111.388 176.852 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -69.11 -29.38 67.44 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 121.68 -0.638 . . . . 25.0 110.789 176.449 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -71.24 -18.97 77.09 Favored Glycine 0 C--O 1.225 -0.455 0 C-N-CA 120.669 -0.776 . . . . 25.0 111.59 177.626 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 49.77 31.65 4.64 Favored 'General case' 0 C--O 1.214 -0.766 0 N-CA-C 114.266 1.21 . . . . 25.0 114.266 177.325 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -59.07 -38.1 78.64 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 121.144 0.497 . . . . 25.0 111.314 -179.592 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -92.04 31.96 5.67 Favored Glycine 0 C--O 1.225 -0.418 0 CA-C-N 116.074 -0.512 . . . . 25.0 112.842 178.521 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.207 -1.171 0 CA-C-O 123.311 1.529 . . . . 25.0 113.094 -178.126 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.038 0 CA-C-O 124.04 1.911 . . . . 25.0 110.984 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 44.9 p 62.27 -177.17 0.13 Allowed 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 111.551 -2.324 . . . . 25.0 112.075 -178.729 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 47.0 ttt85 -153.45 146.65 24.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 106.687 -1.597 . . . . 25.0 106.687 -179.726 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 48.8 m -77.46 146.77 36.29 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 105.821 -1.918 . . . . 25.0 105.821 174.46 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -73.39 -23.63 60.2 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 120.103 -0.639 . . . . 25.0 110.749 -179.943 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 4.3 m 46.25 121.23 0.0 OUTLIER 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 120.026 3.343 . . . . 25.0 120.026 176.545 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -58.28 -32.09 68.09 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 114.618 -1.174 . . . . 25.0 112.353 -178.091 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -70.53 -42.18 64.3 Favored Glycine 0 C--O 1.216 -0.979 0 C-N-CA 120.383 -0.913 . . . . 25.0 110.915 177.208 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -67.93 -31.86 71.91 Favored 'General case' 0 C--O 1.213 -0.854 0 O-C-N 122.541 -0.387 . . . . 25.0 110.118 -179.28 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.22 -33.87 58.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 175.284 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 40.3 m -69.4 -38.59 78.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 121.664 -0.647 . . . . 25.0 110.289 179.035 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -71.91 -33.2 68.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.378 -0.601 . . . . 25.0 109.378 179.004 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 1.8 mtp -61.96 -44.85 95.9 Favored 'General case' 0 C--O 1.214 -0.769 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 178.587 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.54 -35.77 80.51 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.122 0.487 . . . . 25.0 110.562 -177.534 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -69.3 -48.08 62.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.115 -0.493 . . . . 25.0 111.528 -179.868 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.5 p -70.97 -36.2 62.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 121.02 -0.272 . . . . 25.0 111.155 -177.333 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -59.46 -47.27 86.14 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 177.095 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.1 94.62 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 122.054 -0.404 . . . . 25.0 110.407 179.992 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -65.22 -47.72 75.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.083 -0.508 . . . . 25.0 111.738 -179.3 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -70.38 -31.17 68.29 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 121.434 -0.791 . . . . 25.0 110.301 -178.394 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 30.4 mt -62.68 -43.34 99.05 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.577 -0.449 . . . . 25.0 110.145 178.255 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.67 -35.51 65.22 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 119.965 -0.694 . . . . 25.0 111.767 178.105 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 65.5 mtm -66.28 -32.3 73.63 Favored 'General case' 0 CA--C 1.514 -0.408 0 O-C-N 122.0 -0.437 . . . . 25.0 110.46 178.777 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 91.8 m -59.86 -36.8 77.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 176.905 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -66.98 -43.95 81.69 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.969 -1.123 . . . . 25.0 107.969 179.231 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -61.67 -45.08 95.57 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.547 0.573 . . . . 25.0 112.547 -177.702 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 27.1 m -69.64 -39.75 78.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.127 0.418 . . . . 25.0 112.127 -178.642 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 72.4 mt -66.37 -35.16 79.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.146 -0.346 . . . . 25.0 111.267 179.463 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 64.7 m170 -73.86 -26.75 60.73 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.84 -0.344 . . . . 25.0 110.469 178.551 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -76.11 -40.47 52.83 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 116.75 -0.204 . . . . 25.0 111.324 179.46 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 138.4 -143.01 13.72 Favored Glycine 0 C--O 1.226 -0.381 0 C-N-CA 121.101 -0.571 . . . . 25.0 113.016 179.862 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -153.4 176.05 12.45 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 104.437 -2.431 . . . . 25.0 104.437 179.452 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 24.4 ptt-85 -64.0 154.73 33.28 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.258 -0.883 . . . . 25.0 109.492 178.089 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 20.9 pm0 -81.56 8.54 9.41 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 121.694 0.759 . . . . 25.0 112.16 177.735 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 11.7 t0 63.04 -40.63 0.18 Allowed 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 128.064 2.546 . . . . 25.0 113.897 -172.08 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -74.48 42.23 0.16 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.716 1.206 . . . . 25.0 109.851 171.268 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -104.74 19.27 20.76 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.651 0.78 . . . . 25.0 111.207 179.939 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.12 144.94 98.64 Favored Pre-proline 0 C--N 1.317 -0.807 0 CA-C-N 115.525 -0.762 . . . . 25.0 112.197 -178.505 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -78.48 168.25 21.66 Favored 'Trans proline' 0 C--O 1.221 -0.373 0 CA-C-O 121.414 0.506 . . . . 25.0 111.706 177.8 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 150.29 -38.89 0.88 Allowed Glycine 0 CA--C 1.508 -0.367 0 C-N-CA 120.912 -0.661 . . . . 25.0 111.992 179.19 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 47.4 t -64.35 127.11 24.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.552 -1.277 . . . . 25.0 107.552 177.965 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 9.1 m -62.28 146.09 51.94 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.654 -178.376 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -91.63 -152.9 29.05 Favored Glycine 0 C--O 1.226 -0.374 0 CA-C-N 116.23 -0.441 . . . . 25.0 112.146 179.032 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 58.1 -109.94 0.49 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.905 0.882 . . . . 25.0 112.001 179.986 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.7 m -78.97 76.14 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.022 0.439 . . . . 25.0 110.56 -179.107 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -147.79 169.97 18.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.217 -0.447 . . . . 25.0 111.439 -175.864 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -100.16 -76.32 0.55 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 174.46 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -62.13 -29.69 70.51 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.944 0.878 . . . . 25.0 110.224 177.353 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -55.19 -28.93 51.2 Favored Glycine 0 C--O 1.213 -1.199 0 CA-C-N 114.416 -1.266 . . . . 25.0 113.955 177.664 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 63.8 mm-40 -59.18 -35.82 74.24 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 117.856 0.828 . . . . 25.0 110.905 179.001 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -70.27 -33.36 71.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.511 0.672 . . . . 25.0 109.222 179.358 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.04 -43.87 64.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.116 -0.698 . . . . 25.0 109.116 179.377 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.28 -36.69 79.76 Favored 'General case' 0 C--O 1.216 -0.709 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.44 -178.704 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -65.9 -29.21 69.6 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.389 -0.924 . . . . 25.0 110.627 179.83 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -72.79 -44.04 40.02 Favored Glycine 0 C--O 1.22 -0.723 0 N-CA-C 107.878 -2.089 . . . . 25.0 107.878 174.444 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.35 64.62 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 122.756 0.423 . . . . 25.0 111.759 179.689 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 65.1 mm-40 -66.63 -41.9 87.59 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 112.059 0.392 . . . . 25.0 112.059 178.482 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.84 -46.44 68.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.127 0.489 . . . . 25.0 110.355 -178.176 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 16.9 m -65.69 -30.72 50.99 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 109.592 -0.521 . . . . 25.0 109.592 179.775 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.27 -27.42 55.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 179.88 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.3 -39.14 93.32 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 176.843 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.7 -31.86 65.33 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.91 0.386 . . . . 25.0 110.577 175.829 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.445 ' HA ' HG12 ' A' ' 476' ' ' VAL . 61.9 mm-40 -72.12 -45.78 59.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.464 0.649 . . . . 25.0 111.788 -176.378 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -63.64 -27.96 69.59 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 178.006 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.51 -52.86 13.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.069 -0.514 . . . . 25.0 110.56 177.414 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.445 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.9 p -62.1 -35.72 70.26 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-O 121.442 0.639 . . . . 25.0 109.588 -176.53 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -62.71 -37.06 85.03 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.804 -0.634 . . . . 25.0 110.657 178.216 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.64 91.12 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.897 -0.321 . . . . 25.0 110.358 -179.658 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.45 -34.19 47.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.659 0 C-N-CA 120.428 -0.509 . . . . 25.0 109.865 -179.87 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -60.54 -27.2 67.46 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.387 0.613 . . . . 25.0 109.941 -179.922 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.33 -41.55 48.01 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 108.852 -0.796 . . . . 25.0 108.852 177.368 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 38.2 mtm -63.84 -27.41 69.15 Favored 'General case' 0 CA--C 1.498 -1.031 0 CA-C-N 115.801 -0.636 . . . . 25.0 111.932 179.922 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 39.1 p -82.31 -34.35 28.65 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 119.519 -0.872 . . . . 25.0 109.903 -176.448 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -78.88 -26.47 43.95 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.141 -0.624 . . . . 25.0 110.432 177.096 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -83.0 -12.15 57.52 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.831 -0.543 . . . . 25.0 111.744 176.21 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 63.46 24.86 68.08 Favored Glycine 0 C--O 1.227 -0.29 0 N-CA-C 110.509 -1.036 . . . . 25.0 110.509 -177.536 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 46.66 28.67 0.82 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.095 1.358 . . . . 25.0 113.861 -173.403 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -72.95 147.92 44.78 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 178.491 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -85.61 9.88 66.54 Favored Glycine 0 C--O 1.226 -0.369 0 CA-C-O 121.913 0.73 . . . . 25.0 112.428 179.473 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.209 -1.057 0 CA-C-O 123.682 1.706 . . . . 25.0 110.1 -179.605 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 123.506 1.614 . . . . 25.0 112.907 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 69.7 p -82.91 29.3 0.47 Allowed 'General case' 0 C--O 1.223 -0.298 0 O-C-N 120.622 -1.517 . . . . 25.0 113.518 -176.458 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.94 -38.96 89.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 122.17 -0.331 . . . . 25.0 110.701 -178.843 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 19.9 p 59.39 -178.88 0.09 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.326 1.05 . . . . 25.0 111.597 -176.83 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -161.91 157.45 23.87 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.936 -0.765 . . . . 25.0 108.936 179.476 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 20.0 m -120.53 46.65 1.95 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.219 -0.66 . . . . 25.0 109.219 177.83 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 63.8 -55.91 0.22 Allowed 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 116.598 2.073 . . . . 25.0 116.598 178.56 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -64.03 -33.73 88.02 Favored Glycine 0 C--O 1.221 -0.675 0 N-CA-C 108.107 -1.997 . . . . 25.0 108.107 176.926 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -53.15 -34.84 58.6 Favored 'General case' 0 C--O 1.213 -0.864 0 CA-C-N 114.403 -0.898 . . . . 25.0 112.042 176.823 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.62 -38.2 75.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 121.966 -0.459 . . . . 25.0 109.84 -179.313 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 90.8 p -74.45 -33.6 62.96 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.89 -0.506 . . . . 25.0 111.402 -179.159 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -69.96 -33.98 72.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.445 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 56.4 ttp -71.42 -34.44 70.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.676 . . . . 25.0 109.818 -178.911 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -64.54 -31.69 73.02 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.786 -0.45 . . . . 25.0 109.786 178.051 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.2 80.35 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 177.381 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.08 -44.42 91.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.341 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 177.828 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -58.29 -43.77 88.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.935 0.398 . . . . 25.0 110.197 179.017 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.6 91.62 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.775 0.321 . . . . 25.0 110.906 179.06 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -66.51 -43.15 86.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.461 -0.336 . . . . 25.0 110.637 179.413 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -62.27 -42.18 99.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.32 0.581 . . . . 25.0 109.452 179.462 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 46.8 mt -60.19 -44.17 95.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.911 -0.586 . . . . 25.0 111.196 179.426 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -74.26 -34.57 63.64 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 119.331 -0.948 . . . . 25.0 113.018 178.644 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 71.0 mtm -62.62 -37.58 86.87 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 108.95 -0.759 . . . . 25.0 108.95 178.151 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 54.9 m -59.97 -38.79 83.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.762 0.315 . . . . 25.0 110.719 177.944 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -64.75 -48.32 74.99 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 179.394 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.28 -46.22 89.14 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.741 -1.118 . . . . 25.0 113.016 -177.993 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 30.7 m -67.47 -35.65 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 120.53 -0.468 . . . . 25.0 112.177 -179.546 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 70.3 mt -68.1 -36.78 80.34 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 122.17 -0.331 . . . . 25.0 111.11 178.134 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 52.6 m170 -69.07 -36.87 78.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.652 0.263 . . . . 25.0 111.115 178.605 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -79.66 -15.38 57.68 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.89 0.376 . . . . 25.0 111.76 179.44 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -88.94 174.16 42.15 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-O 122.334 0.964 . . . . 25.0 114.929 -176.762 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -140.95 146.16 36.99 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.993 -2.225 . . . . 25.0 104.993 179.447 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -76.34 138.57 40.56 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.255 -1.387 . . . . 25.0 107.255 -179.284 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -123.29 44.02 2.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.325 0.584 . . . . 25.0 109.757 -177.549 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -63.39 -32.93 74.5 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.837 -179.433 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -142.49 75.98 1.51 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.025 0.917 . . . . 25.0 108.702 179.714 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -126.53 46.74 2.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.083 -0.962 . . . . 25.0 109.486 -178.137 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -69.36 152.47 96.47 Favored Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 120.778 -0.369 . . . . 25.0 110.623 -179.559 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -79.21 1.85 8.82 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 113.309 0.465 . . . . 25.0 113.309 -179.7 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 82.72 -37.5 2.65 Favored Glycine 0 C--O 1.228 -0.261 0 CA-C-O 121.267 0.371 . . . . 25.0 113.208 -179.832 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 56.3 t -124.78 117.57 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.838 0.351 . . . . 25.0 110.407 -179.818 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 10.0 m 57.28 -152.19 0.4 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.864 1.061 . . . . 25.0 113.864 177.228 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 90.04 -167.41 33.11 Favored Glycine 0 C--O 1.224 -0.477 0 N-CA-C 108.961 -1.655 . . . . 25.0 108.961 -177.035 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -101.61 18.65 19.75 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 108.419 -0.956 . . . . 25.0 108.419 178.517 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 31.6 m -88.3 169.04 12.19 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.23 -0.895 . . . . 25.0 112.529 -176.138 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -159.68 159.17 32.67 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 104.99 -2.226 . . . . 25.0 104.99 -179.189 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -105.29 -76.76 0.6 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.208 -1.034 . . . . 25.0 108.208 173.494 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -63.04 -26.92 69.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 121.623 -0.673 . . . . 25.0 112.19 -177.057 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -63.79 -33.74 88.05 Favored Glycine 0 C--O 1.225 -0.42 0 C-N-CA 120.979 -0.629 . . . . 25.0 111.674 178.63 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.44 -49.56 66.31 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 108.737 -0.838 . . . . 25.0 108.737 179.444 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -64.58 -33.84 76.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.288 -0.869 . . . . 25.0 110.076 -175.591 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.2 91.1 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.244 -0.435 . . . . 25.0 110.314 175.62 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -33.67 74.31 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 122.004 -0.435 . . . . 25.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -60.75 -35.8 77.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 121.682 -0.636 . . . . 25.0 109.735 176.11 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -69.06 -43.66 71.22 Favored Glycine 0 C--O 1.223 -0.584 0 N-CA-C 108.973 -1.651 . . . . 25.0 108.973 175.465 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -54.34 -39.3 66.97 Favored 'General case' 0 C--O 1.222 -0.352 0 C-N-CA 122.681 0.392 . . . . 25.0 111.622 179.706 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -65.2 -44.19 89.16 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.02 0.438 . . . . 25.0 111.392 178.479 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.82 -44.77 80.29 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.232 0.539 . . . . 25.0 110.664 -178.209 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.97 -26.61 30.37 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.797 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.78 -179.163 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -56.63 -33.95 66.8 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 118.137 0.426 . . . . 25.0 111.319 -179.944 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -64.33 -38.14 89.97 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 109.763 -0.458 . . . . 25.0 109.763 177.576 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.59 -32.18 65.78 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 116.703 -0.226 . . . . 25.0 110.771 176.895 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.486 ' HA ' HG12 ' A' ' 476' ' ' VAL . 53.0 mm-40 -71.33 -45.53 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.989 -0.445 . . . . 25.0 112.144 -178.525 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -62.36 -27.08 68.82 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 178.243 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 1.7 tp -76.27 -52.76 9.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.572 178.122 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.486 HG12 ' HA ' ' A' ' 473' ' ' GLN . 13.4 p -62.95 -37.06 78.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 118.57 0.623 . . . . 25.0 110.157 -175.406 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -63.23 -35.85 81.71 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-N 116.268 -0.424 . . . . 25.0 110.139 178.465 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -61.32 -44.74 96.69 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.407 -0.517 . . . . 25.0 109.937 -179.065 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 3.0 mt -70.48 -35.29 61.2 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.627 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.001 -179.068 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -57.6 -27.08 62.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.365 0.602 . . . . 25.0 109.601 179.484 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 13.4 mt -81.39 -43.31 19.18 Favored 'General case' 0 C--O 1.216 -0.681 0 CA-C-O 121.091 0.472 . . . . 25.0 109.773 177.298 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 44.3 mtm -60.72 -28.97 69.06 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.935 0.398 . . . . 25.0 111.501 179.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 25.4 p -77.64 -17.15 58.03 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.231 -0.587 . . . . 25.0 112.266 -175.404 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -103.98 -33.7 8.73 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.539 -0.301 . . . . 25.0 110.319 175.999 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -69.37 -36.0 76.38 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 121.814 -0.554 . . . . 25.0 110.162 177.85 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -75.53 0.45 60.54 Favored Glycine 0 C--O 1.227 -0.33 0 C-N-CA 121.076 -0.583 . . . . 25.0 112.916 178.999 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -136.29 26.76 3.18 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.831 -0.803 . . . . 25.0 108.831 178.746 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -73.17 131.21 41.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.144 -0.48 . . . . 25.0 110.096 -177.821 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -118.42 33.5 4.8 Favored Glycine 0 C--O 1.227 -0.329 0 N-CA-C 110.359 -1.097 . . . . 25.0 110.359 178.569 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 C--O 1.211 -0.925 0 CA-C-O 123.453 1.596 . . . . 25.0 112.223 -178.027 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . 0.599 ' N ' ' HG ' ' A' ' 414' ' ' SER . . . . . . . . 0 N--CA 1.492 2.425 0 CA-C-O 123.467 1.593 . . . . 25.0 113.067 . . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 36.6 t -69.87 136.17 50.4 Favored 'General case' 0 C--N 1.334 -0.105 0 O-C-N 120.626 -1.514 . . . . 25.0 108.564 179.196 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.6 21.24 9.83 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 113.531 0.937 . . . . 25.0 113.531 179.319 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' A' ' 411' ' ' GLY . 47.9 m -81.74 51.94 1.81 Allowed 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 179.156 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -156.68 163.14 39.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.157 0.503 . . . . 25.0 110.719 -179.131 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 54.7 m -106.08 151.24 24.93 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.428 -1.693 . . . . 25.0 106.428 175.841 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -66.07 -27.81 68.37 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.905 -0.589 . . . . 25.0 112.313 -174.624 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.25 -34.19 87.33 Favored Glycine 0 C--O 1.217 -0.959 0 C-N-CA 120.337 -0.935 . . . . 25.0 111.267 177.36 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.18 -27.48 68.04 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 109.899 -0.408 . . . . 25.0 109.899 -179.5 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 23.9 t -71.86 -33.19 47.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.033 -0.729 . . . . 25.0 109.033 178.902 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 41.3 m -70.66 -37.87 73.74 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 177.18 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -68.01 -33.86 75.42 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.416 -0.586 . . . . 25.0 109.416 178.471 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 40.8 ttm -61.12 -42.92 99.42 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 115.725 -0.671 . . . . 25.0 109.942 179.25 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.02 77.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.341 0.591 . . . . 25.0 110.521 -178.537 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.31 -46.75 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.063 -0.517 . . . . 25.0 111.154 -179.213 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 9.4 p -71.01 -36.09 61.98 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 CA-C-N 116.52 -0.309 . . . . 25.0 111.241 -177.188 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -54.82 -43.28 72.8 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.901 0.382 . . . . 25.0 111.117 177.888 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -62.91 -38.22 90.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.029 0.442 . . . . 25.0 110.607 179.354 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -70.33 -41.21 73.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.573 179.42 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -60.27 -40.47 90.48 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-O 121.267 0.556 . . . . 25.0 109.808 -179.5 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 55.3 mt -60.23 -47.12 87.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.936 -0.575 . . . . 25.0 111.257 179.951 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.74 -32.2 63.74 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.258 -0.977 . . . . 25.0 112.572 178.983 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 72.3 mtm -66.62 -37.69 85.38 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 121.962 -0.461 . . . . 25.0 109.808 178.408 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 79.0 m -58.03 -37.52 74.52 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.259 0.552 . . . . 25.0 110.554 178.281 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -65.58 -45.46 83.17 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-O 121.952 0.882 . . . . 25.0 109.089 178.59 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -65.19 -43.19 92.42 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 114.679 1.363 . . . . 25.0 114.679 -178.032 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 16.1 m -67.35 -28.31 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 112.743 0.646 . . . . 25.0 112.743 -178.438 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 59.8 mt -73.06 -8.61 56.53 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.011 -0.541 . . . . 25.0 111.98 177.46 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 47.3 m170 -109.88 -1.41 17.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.911 0.386 . . . . 25.0 110.213 177.999 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -89.58 170.49 10.44 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -179.301 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . -61.52 -34.6 88.98 Favored Glycine 0 N--CA 1.462 0.38 0 N-CA-C 111.615 -0.594 . . . . 25.0 111.615 178.798 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -158.88 163.93 36.15 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 102.975 -2.972 . . . . 25.0 102.975 173.584 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -82.07 -37.9 25.7 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 115.399 1.629 . . . . 25.0 115.399 -174.568 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 57.89 34.47 24.38 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.468 0.707 . . . . 25.0 112.034 179.392 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -59.8 -35.6 75.02 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 116.066 1.876 . . . . 25.0 116.066 -174.682 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 32.7 p-10 -122.45 24.35 9.32 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 114.854 1.428 . . . . 25.0 114.854 -169.78 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -112.09 48.77 0.95 Allowed 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.046 0.388 . . . . 25.0 112.046 -176.205 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.38 146.93 96.89 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 120.39 -0.524 . . . . 25.0 109.646 178.505 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -85.12 54.06 3.78 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 121.359 1.373 . . . . 25.0 112.879 176.821 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . -155.67 -176.8 28.24 Favored Glycine 0 N--CA 1.432 -1.571 0 N-CA-C 109.279 -1.528 . . . . 25.0 109.279 -177.999 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 5.2 p -104.23 0.55 10.25 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 CA-C-N 113.054 -1.573 . . . . 25.0 108.989 -177.908 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.0 25.29 2.19 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 116.586 2.069 . . . . 25.0 116.586 179.137 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . -175.12 -178.13 44.74 Favored Glycine 0 C--O 1.227 -0.307 0 N-CA-C 118.329 2.092 . . . . 25.0 118.329 -178.66 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . 67.47 157.48 0.13 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.984 1.714 . . . . 25.0 113.85 -179.202 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 8.2 t 46.83 42.78 12.47 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.663 0.986 . . . . 25.0 113.663 178.814 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . . . . . . . . . . . -145.98 160.9 41.2 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.936 0.717 . . . . 25.0 112.936 -174.39 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -99.98 -73.95 0.62 Allowed 'General case' 0 C--O 1.218 -0.586 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 173.703 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -61.07 -31.73 71.39 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.741 0.781 . . . . 25.0 111.318 176.718 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . . . . . . . . . . . -53.18 -28.91 35.42 Favored Glycine 0 C--O 1.212 -1.237 0 CA-C-N 114.921 -1.036 . . . . 25.0 113.873 176.41 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -57.49 -31.6 66.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.771 -0.84 . . . . 25.0 111.571 179.54 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -69.04 -32.72 72.42 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 109.343 -0.614 . . . . 25.0 109.343 178.692 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.3 -47.98 45.78 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.738 -0.838 . . . . 25.0 108.738 178.949 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.22 -35.74 81.99 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 120.746 -0.381 . . . . 25.0 111.648 -177.304 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.17 -27.86 65.9 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 119.874 -0.73 . . . . 25.0 110.503 178.106 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -71.15 -40.81 61.15 Favored Glycine 0 C--O 1.221 -0.709 0 N-CA-C 108.112 -1.995 . . . . 25.0 108.112 174.302 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -53.87 -31.87 51.24 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.207 0.527 . . . . 25.0 111.747 178.34 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 77.2 mm-40 -76.36 -38.46 55.78 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 121.872 -0.518 . . . . 25.0 111.295 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -68.31 -44.48 75.31 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.523 -0.547 . . . . 25.0 109.523 -178.872 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 17.1 m -67.43 -31.53 53.2 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.688 0 N-CA-C 109.709 -0.478 . . . . 25.0 109.709 179.573 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.19 -28.46 64.82 Favored 'General case' 0 N--CA 1.464 0.259 0 O-C-N 122.071 -0.393 . . . . 25.0 111.679 -179.931 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.07 88.94 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 177.04 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.64 -39.16 67.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.087 -0.338 . . . . 25.0 110.087 176.404 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . 0.425 ' HA ' HG12 ' A' ' 476' ' ' VAL . 35.3 mm-40 -64.15 -45.97 86.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -179.314 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -64.79 -27.17 68.71 Favored 'General case' 0 N--CA 1.469 0.482 0 O-C-N 121.476 -0.765 . . . . 25.0 109.756 178.888 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.03 -51.57 17.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.904 -0.589 . . . . 25.0 110.379 177.39 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . 0.425 HG12 ' HA ' ' A' ' 473' ' ' GLN . 10.3 p -62.67 -36.62 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 118.832 0.742 . . . . 25.0 109.181 -176.41 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -62.46 -36.52 82.72 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.704 -0.68 . . . . 25.0 110.09 178.706 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -58.95 -44.82 91.49 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.504 -179.65 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.2 -33.25 45.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 120.446 -0.502 . . . . 25.0 109.894 -179.172 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -59.26 -29.71 67.76 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 179.134 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.8 mt -76.37 -44.16 37.55 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.389 0.614 . . . . 25.0 109.958 177.448 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.8 mtm -62.21 -26.58 68.44 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 116.136 -0.484 . . . . 25.0 111.681 -179.388 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 21.6 p -81.96 -34.3 29.82 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 119.217 -0.993 . . . . 25.0 109.813 -176.198 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -78.55 -31.89 47.64 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 119.906 -0.718 . . . . 25.0 110.246 176.665 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -71.42 -31.11 66.85 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.912 -0.773 . . . . 25.0 108.912 176.542 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . -82.6 8.92 60.55 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-O 119.473 -0.626 . . . . 25.0 112.427 177.063 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 48.46 33.92 4.38 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.001 1.721 . . . . 25.0 111.309 178.408 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . 54.44 26.81 7.47 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 113.109 -1.859 . . . . 25.0 113.948 176.656 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -82.51 57.84 5.01 Favored Glycine 0 C--O 1.227 -0.306 0 N-CA-C 111.953 -0.459 . . . . 25.0 111.953 179.452 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 C--O 1.208 -1.119 0 CA-C-O 125.104 2.383 . . . . 25.0 112.822 -178.16 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.417 0 CA-C-O 122.629 1.127 . . . . 25.0 112.633 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' 412' ' ' SER . . . . . . . . . . . . . 20.1 m -63.87 141.8 58.63 Favored 'General case' 0 C--O 1.226 -0.141 0 O-C-N 121.433 -1.039 . . . . 25.0 110.402 179.387 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -126.85 -11.57 6.01 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 121.081 0.467 . . . . 25.0 111.081 177.503 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 414' ' ' SER . . . . . . . . . . . . . 16.4 m -75.08 -21.65 58.83 Favored 'General case' 0 C--O 1.218 -0.568 0 N-CA-C 109.53 -0.545 . . . . 25.0 109.53 177.458 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 415' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -160.8 150.93 17.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 105.645 -1.983 . . . . 25.0 105.645 178.083 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 416' ' ' SER . . . . . . . . . . . . . 12.8 t -100.11 41.04 1.19 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.527 0.679 . . . . 25.0 111.49 179.361 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 63.25 -48.88 0.22 Allowed 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 118.718 2.858 . . . . 25.0 118.718 175.797 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . -66.53 -30.69 76.89 Favored Glycine 0 C--O 1.226 -0.35 0 N-CA-C 109.305 -1.518 . . . . 25.0 109.305 178.223 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -66.78 -20.34 65.93 Favored 'General case' 0 C--O 1.215 -0.728 0 CA-C-N 114.361 -0.92 . . . . 25.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 420' ' ' VAL . . . . . . . . . . . . . 88.5 t -62.75 -27.59 43.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 N-CA-C 109.04 -0.726 . . . . 25.0 109.04 179.205 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 421' ' ' SER . . . . . . . . . . . . . 5.8 m -66.92 -41.63 86.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.175 0.512 . . . . 25.0 111.431 177.903 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 422' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.77 -31.07 59.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.695 0.76 . . . . 25.0 108.985 -179.042 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 423' ' ' MET . . . . . . . . . . . . . 2.2 mtp -60.3 -45.4 93.5 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.34 -0.845 . . . . 25.0 109.203 177.806 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 424' ' ' ALA . . . . . . . . . . . . . . . -62.82 -32.98 74.29 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.977 0.418 . . . . 25.0 111.11 -179.029 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . . . . . . . . . . . -70.21 -47.4 61.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.801 0.334 . . . . 25.0 111.16 -179.621 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 426' ' ' VAL . . . . . . . . . . . . . 11.9 p -70.85 -34.2 55.21 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-O 120.756 0.312 . . . . 25.0 110.793 -178.886 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -59.21 -43.8 92.26 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.391 -0.596 . . . . 25.0 109.391 175.729 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 428' ' ' ALA . . . . . . . . . . . . . . . -64.81 -36.38 84.14 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 120.831 0.348 . . . . 25.0 110.419 178.55 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 429' ' ' ALA . . . . . . . . . . . . . . . -67.03 -42.61 84.59 Favored 'General case' 0 C--O 1.22 -0.492 0 CA-C-N 116.454 -0.339 . . . . 25.0 110.465 178.798 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 430' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.53 -41.11 98.65 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.701 0.762 . . . . 25.0 109.874 179.401 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 431' ' ' LEU . . . . . . . . . . . . . 54.8 mt -61.06 -40.7 94.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.512 -0.767 . . . . 25.0 110.493 178.568 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 432' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -33.66 64.83 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 119.657 -0.817 . . . . 25.0 110.446 178.393 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 433' ' ' MET . . . . . . . . . . . . . 4.4 tpp -63.27 -30.25 71.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.86 0.362 . . . . 25.0 110.81 179.454 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 434' ' ' THR . . . . . . . . . . . . . 59.1 m -52.94 -37.34 60.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.935 -0.575 . . . . 25.0 112.41 -179.037 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 28.2 ptt-85 -65.67 -33.14 75.21 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.185 -0.947 . . . . 25.0 111.354 -178.451 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 436' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.74 -48.19 22.88 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.595 0.961 . . . . 25.0 113.595 -178.734 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 437' ' ' VAL . . . . . . . . . . . . . 19.8 m -63.29 -29.52 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 N-CA-C 115.268 1.581 . . . . 25.0 115.268 -174.595 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 438' ' ' LEU . . . . . . . . . . . . . 82.8 mt -64.66 -10.84 29.7 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.423 0.897 . . . . 25.0 113.423 179.416 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 439' ' ' HIS . . . . . . . . . . . . . 26.9 m80 -118.29 15.13 13.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.458 0.54 . . . . 25.0 112.458 179.434 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 440' ' ' ALA . . . . . . . . . . . . . . . -124.89 144.37 50.36 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.02 -0.733 . . . . 25.0 109.02 -179.655 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 441' ' ' GLY . . . . . . . . . . . . . . . 74.77 4.51 71.29 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 111.426 -0.67 . . . . 25.0 111.426 -178.507 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 442' ' ' ALA . . . . . . . . . . . . . . . -159.55 172.03 18.57 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 102.87 -3.011 . . . . 25.0 102.87 -178.023 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 443' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 64.91 -29.89 0.11 Allowed 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 116.936 2.199 . . . . 25.0 116.936 179.401 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 444' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 69.36 23.84 6.03 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.378 1.471 . . . . 25.0 113.3 177.571 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 445' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.82 -26.32 49.43 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 104.881 -2.266 . . . . 25.0 104.881 173.221 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 446' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -90.1 14.46 12.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.126 -1.397 . . . . 25.0 112.351 -178.225 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 447' ' ' ALA . . . . . . . . . . . . . . . -96.46 15.51 21.22 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.914 -1.039 . . . . 25.0 110.235 -179.555 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 448' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 19.27 72.66 0.22 Allowed Pre-proline 0 CA--C 1.56 1.364 0 N-CA-C 117.272 2.323 . . . . 25.0 117.272 -178.193 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 449' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.86 -35.71 31.91 Favored 'Trans proline' 0 CA--C 1.53 0.324 1 C-N-CA 128.332 6.021 . . . . 25.0 115.753 -178.827 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 63.11 31.02 79.29 Favored Glycine 0 N--CA 1.46 0.25 0 CA-C-O 122.045 0.803 . . . . 25.0 112.837 -178.228 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 451' ' ' VAL . . . . . . . . . . . . . 12.3 p -56.27 134.18 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.86 0.838 . . . . 25.0 110.793 -176.873 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 452' ' ' SER . . . . . . . . . . . . . 69.1 m -143.98 167.04 23.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -177.615 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 453' ' ' GLY . . . . . . . . . . . . . . . 148.49 -14.91 1.25 Allowed Glycine 0 C--O 1.224 -0.51 0 N-CA-C 115.765 1.066 . . . . 25.0 115.765 178.741 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -63.01 130.39 44.49 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 117.689 0.745 . . . . 25.0 110.499 179.438 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.0 m -72.39 142.81 48.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.262 -0.427 . . . . 25.0 110.818 179.739 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 456' ' ' ALA . . . . . 0.401 ' HB1' ' HA3' ' A' ' 459' ' ' GLY . . . -154.58 149.39 26.61 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.276 -0.268 . . . . 25.0 110.276 179.335 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 457' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -93.55 -76.29 0.48 Allowed 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 177.41 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 458' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -68.8 -24.9 64.45 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 122.13 0.966 . . . . 25.0 109.823 178.398 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 459' ' ' GLY . . . . . 0.401 ' HA3' ' HB1' ' A' ' 456' ' ' ALA . . . -53.69 -28.91 39.6 Favored Glycine 0 C--O 1.207 -1.576 0 CA-C-N 114.082 -1.417 . . . . 25.0 113.623 177.181 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -55.26 -38.6 68.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 118.473 1.136 . . . . 25.0 112.708 179.962 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -69.78 -31.11 68.87 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-O 121.171 0.51 . . . . 25.0 109.682 179.671 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 462' ' ' ALA . . . . . . . . . . . . . . . -72.3 -48.23 43.86 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 177.061 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.18 -35.47 80.53 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 111.901 0.334 . . . . 25.0 111.901 -175.33 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 464' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -60.59 -27.75 67.97 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 119.831 -0.747 . . . . 25.0 111.518 179.146 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 465' ' ' GLY . . . . . . . . . . . . . . . -84.1 -40.92 8.31 Favored Glycine 0 C--O 1.219 -0.783 0 N-CA-C 108.677 -1.769 . . . . 25.0 108.677 174.76 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 466' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.1 68.99 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 112.045 0.387 . . . . 25.0 112.045 -179.107 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 467' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -64.71 -44.67 89.47 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.211 0.529 . . . . 25.0 111.371 178.605 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 468' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.45 83.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 25.0 110.476 -177.854 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 15.6 m -70.95 -31.28 44.82 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 C-N-CA 120.378 -0.529 . . . . 25.0 110.408 -179.51 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 470' ' ' ALA . . . . . . . . . . . . . . . -58.3 -36.55 73.49 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 118.372 0.533 . . . . 25.0 110.885 -179.074 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.64 84.42 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 109.831 -0.433 . . . . 25.0 109.831 177.782 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -72.71 -34.27 67.0 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-O 120.557 0.218 . . . . 25.0 111.287 177.872 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 473' ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -69.44 -42.59 74.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.14 0.495 . . . . 25.0 110.965 -179.97 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 474' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -72.12 -26.17 62.02 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.268 -0.895 . . . . 25.0 109.903 177.519 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 475' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -49.8 66.93 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.777 -0.823 . . . . 25.0 108.777 175.675 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 476' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.29 -35.31 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -177.144 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 477' ' ' HIS . . . . . . . . . . . . . 16.6 t-160 -61.47 -38.38 87.02 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 115.419 -0.81 . . . . 25.0 109.97 177.689 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 478' ' ' ALA . . . . . . . . . . . . . . . -59.49 -44.11 93.14 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.14 -0.35 . . . . 25.0 111.062 -179.324 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 479' ' ' ILE . . . . . . . . . . . . . 2.3 mp -71.92 -34.05 49.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 120.386 -0.526 . . . . 25.0 109.64 -179.208 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 480' ' ' ALA . . . . . . . . . . . . . . . -58.77 -29.46 66.81 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.524 0.678 . . . . 25.0 109.421 179.644 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 481' ' ' LEU . . . . . . . . . . . . . 14.4 mt -76.47 -43.26 40.64 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-O 121.659 0.742 . . . . 25.0 109.42 177.349 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 482' ' ' MET . . . . . . . . . . . . . 39.5 mtm -62.76 -25.18 68.08 Favored 'General case' 0 CA--C 1.499 -1.012 0 CA-C-N 116.057 -0.52 . . . . 25.0 112.112 -179.411 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 29.5 p -82.65 -34.16 27.55 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 119.828 -0.749 . . . . 25.0 110.255 -177.095 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 484' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -80.13 -29.52 38.92 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 120.112 -0.635 . . . . 25.0 110.672 176.404 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 485' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -77.88 -28.97 50.04 Favored 'General case' 0 N--CA 1.438 -1.026 0 O-C-N 121.618 -0.676 . . . . 25.0 110.607 177.017 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 486' ' ' GLY . . . . . . . . . . . . . . . 72.44 24.31 76.49 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.113 -0.565 . . . . 25.0 112.074 -178.044 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 487' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -118.38 29.45 7.76 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 122.491 -0.417 . . . . 25.0 111.959 -176.886 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 488' ' ' ALA . . . . . . . . . . . . . . . -61.16 124.65 21.15 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.376 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 489' ' ' GLY . . . . . . . . . . . . . . . -84.58 27.15 4.85 Favored Glycine 0 C--O 1.226 -0.385 0 CA-C-O 121.622 0.568 . . . . 25.0 114.214 -178.109 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 490' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.206 -1.224 0 CA-C-O 124.36 2.029 . . . . 25.0 111.573 -179.376 . . . . . . . . 0 0 . 1 stop_ save_