data_2lru_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lru _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.484 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.24 0 N-CA-C 112.834 -0.106 . . . . 1.18 112.834 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.501 ' CG2' ' HB1' ' A' ' 557' ' ' ALA . 0.5 OUTLIER -150.57 154.08 9.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 122.832 0.453 . . . . 1.14 110.26 178.464 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -159.01 135.19 9.03 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.542 -0.754 . . . . 3.43 109.804 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 63.6 t -112.31 131.02 64.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.3 0.571 . . . . 1.05 111.004 -177.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.43 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 79.2 mm-40 -122.18 163.33 19.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.121 -0.945 . . . . 2.01 110.059 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' A' ' 502' ' ' LEU . 81.1 mt -83.51 140.56 32.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.734 -0.666 . . . . 1.12 110.158 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -75.57 -17.96 59.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.715 0.769 . . . . 1.04 109.923 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -163.95 1.43 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.603 -1.181 . . . . 2.02 108.976 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -115.22 92.84 4.06 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.652 -0.419 . . . . 2.36 110.805 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . 0.416 ' H ' HD13 ' A' ' 489' ' ' LEU . 24.4 t70 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.763 -0.653 . . . . 1.37 111.31 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 31.4 mm . . . . . 0 N--CA 1.449 -0.523 0 CA-C-O 121.374 0.607 . . . . 1.29 109.769 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -115.47 123.86 49.65 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.646 -0.706 . . . . 1.16 110.725 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.0 pt -117.56 -177.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.41 -0.813 . . . . 1.11 110.383 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 24.3 ttmm -130.84 117.66 19.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.026 0.441 . . . . 2.28 110.102 176.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 40.3 mt -113.08 156.46 23.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.641 -0.709 . . . . 1.3 110.769 -175.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.632 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.0 m95 -119.92 119.3 33.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.851 -0.426 . . . . 0.39 109.851 169.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.504 HD21 ' SD ' ' A' ' 554' ' ' MET . 45.5 tp -76.18 100.18 4.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.005 -0.543 . . . . 1.13 109.753 175.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -88.36 125.67 34.82 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.705 -0.68 . . . . 3.84 110.341 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.44 HG23 HG21 ' A' ' 509' ' ' ILE . 26.2 mm -86.12 113.47 24.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.329 -0.396 . . . . 1.23 110.01 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.484 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.8 mt-10 -79.05 -46.09 18.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.134 -0.485 . . . . 1.52 111.79 -176.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -144.31 105.97 4.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.936 0.398 . . . . 0.71 110.224 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.44 HG21 HG23 ' A' ' 506' ' ' ILE . 2.4 pp -75.19 -11.41 14.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.067 -0.515 . . . . 1.34 112.006 -176.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -79.58 -20.11 47.74 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.251 0.548 . . . . 3.57 110.293 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -78.91 -14.16 59.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.741 -0.663 . . . . 3.59 110.459 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 33.4 mt -99.52 173.18 6.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.514 -0.766 . . . . 1.15 110.509 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -131.58 64.48 1.59 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.272 0.558 . . . . 3.74 110.488 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -169.25 -154.79 9.34 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.675 -0.774 . . . . 1.11 112.133 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 515' ' ' LYS . 3.8 mppt? -102.77 102.52 12.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.938 -0.393 . . . . 3.9 109.938 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -132.6 176.39 8.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.019 -0.537 . . . . 1.14 110.0 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' A' ' 519' ' ' ASN . 55.7 mtpt -135.98 139.12 42.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.747 -0.464 . . . . 2.47 109.747 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.28 37.02 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.925 0.869 . . . . 2.29 110.582 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 517' ' ' LYS . 28.5 p30 -163.95 36.01 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.101 -0.954 . . . . 3.24 110.04 -178.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -128.15 151.73 48.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.754 -0.657 . . . . 1.52 110.938 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -146.31 130.08 17.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.475 -0.784 . . . . 1.12 109.518 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.445 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 78.1 mt -101.78 105.63 18.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.548 -0.751 . . . . 1.11 110.987 -175.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.632 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 13.1 tt0 -71.4 130.01 40.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.953 -0.567 . . . . 0.6 110.489 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -148.12 140.19 24.09 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.672 -0.492 . . . . 0.27 109.672 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 36.1 m -87.52 140.91 29.05 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.684 -0.487 . . . . 1.71 109.684 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -127.85 114.7 17.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 120.617 -0.433 . . . . 0.27 110.692 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -81.8 112.16 18.69 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.495 -0.928 . . . . 0.58 108.495 171.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.84 -13.77 60.18 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.503 0.557 . . . . 1.09 112.503 -172.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -108.45 -42.68 4.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.68 0.276 . . . . 2.18 111.209 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -90.66 -38.74 12.9 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.569 0.581 . . . . 4.71 112.569 -173.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.74 147.06 27.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.2 0.524 . . . . 0.61 111.365 -176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 75.1 t -119.65 133.79 23.85 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.506 -0.77 . . . . 1.1 110.36 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.09 -51.22 11.66 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.511 2.141 . . . . 0.29 112.839 -175.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -69.7 -25.26 63.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 2.34 111.694 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 14.8 t70 -67.19 -48.58 67.48 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.268 -0.641 . . . . 1.09 109.268 175.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.57 -39.75 82.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.142 -0.935 . . . . 1.08 111.084 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.11 -26.57 66.76 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.921 -0.312 . . . . 1.01 111.309 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -68.33 -43.38 77.67 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.586 -0.524 . . . . 1.08 109.586 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 3.2 mm-40 -58.77 -42.81 89.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.458 -0.792 . . . . 2.07 109.026 176.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.439 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.0 mtt -54.89 -43.44 73.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.232 -0.894 . . . . 1.05 111.173 177.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.637 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 63.5 t -66.68 -50.21 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.987 -0.551 . . . . 1.08 110.95 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.2 -38.33 81.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.265 -0.425 . . . . 0.77 111.809 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.7 m -76.19 -1.82 28.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.666 0.269 . . . . 1.71 111.719 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 84.73 30.19 27.31 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.735 -0.745 . . . . 0.54 113.555 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.434 ' HB3' HD11 ' A' ' 522' ' ' ILE . 72.6 m-85 -103.54 -42.89 5.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.072 0.463 . . . . 1.08 110.546 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.637 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 86.8 t -121.96 151.91 25.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.715 -0.675 . . . . 1.05 110.41 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.401 ' N ' HG12 ' A' ' 546' ' ' VAL . 43.0 t -87.88 140.33 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.954 -0.758 . . . . 1.24 108.954 172.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . 0.474 ' HB2' HG11 ' A' ' 541' ' ' VAL . 10.2 tp10 -59.38 -21.17 59.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.911 -0.586 . . . . 2.72 111.281 -175.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -70.85 -18.14 75.84 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.96 -0.638 . . . . 0.32 112.682 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 554' ' ' MET . 51.3 m-20 -112.65 16.15 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.846 0.323 . . . . 1.23 111.158 -178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -53.96 -51.15 64.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.26 -0.427 . . . . 0.3 111.523 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -63.62 -40.95 98.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.528 -0.305 . . . . 3.4 110.244 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 44.9 m -58.03 -48.37 80.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.723 -0.672 . . . . 1.07 111.106 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.586 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.3 mmt -67.28 -47.15 71.5 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.017 -0.538 . . . . 1.01 110.881 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.61 78.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 1.04 110.903 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -66.6 -36.51 82.79 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.945 -0.57 . . . . 2.3 110.135 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.501 ' HB1' ' CG2' ' A' ' 485' ' ' VAL . . . -62.64 -46.42 88.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.209 0.528 . . . . 1.0 109.987 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 554' ' ' MET . 54.6 mt -61.43 -51.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.114 -0.948 . . . . 1.05 110.362 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -65.15 -35.43 81.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.647 -0.706 . . . . 2.69 110.593 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.72 -43.6 94.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 1.03 110.567 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.65 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.4 tpt180 -72.03 -48.98 40.58 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.209 -0.451 . . . . 2.1 110.684 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.71 -34.23 47.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.226 -0.443 . . . . 1.05 110.59 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 14.5 t -61.87 -49.94 74.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.005 -0.543 . . . . 1.44 110.685 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -70.26 -36.35 74.39 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 120.879 0.371 . . . . 2.3 110.351 -177.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.11 -55.32 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 1.1 111.023 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.847 -0.615 . . . . 1.39 110.845 179.15 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.413 ' C ' ' HB3' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.518 0.258 0 N-CA-C 113.426 0.13 . . . . 1.18 113.426 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.593 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -153.91 170.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 122.653 0.381 . . . . 1.14 110.789 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -161.65 134.8 6.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.978 -0.556 . . . . 3.43 110.032 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 85.2 t -104.72 133.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.042 0.449 . . . . 1.05 110.572 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.625 ' HG3' ' NH2' ' A' ' 505' ' ' ARG . 67.9 mm-40 -122.19 160.97 24.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.452 -0.794 . . . . 2.01 110.174 -177.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.533 ' HG ' ' NH2' ' A' ' 561' ' ' ARG . 57.0 mt -80.65 145.03 31.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.141 -0.481 . . . . 1.12 109.894 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -79.69 -30.46 41.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.701 0.762 . . . . 1.04 109.222 173.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.72 -164.72 1.39 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.754 -1.112 . . . . 2.02 110.066 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -94.01 136.23 34.52 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 116.023 -0.535 . . . . 2.36 109.631 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 37.6 t70 . . . . . 0 C--N 1.321 -0.672 0 N-CA-C 112.378 0.51 . . . . 1.37 112.378 -177.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 28.0 mm . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.09 0.471 . . . . 1.29 110.732 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -120.56 122.9 41.58 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.354 0.597 . . . . 1.16 111.059 -176.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 14.0 pt -120.99 -177.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.122 -0.945 . . . . 1.11 110.498 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 36.2 ttpt -127.5 120.08 27.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.155 0.502 . . . . 2.28 110.195 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.468 ' CD2' HD23 ' A' ' 489' ' ' LEU . 45.9 mt -112.77 157.38 21.4 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.516 -0.766 . . . . 1.3 110.958 -175.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.67 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.5 m95 -119.61 116.56 26.27 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 0.39 109.734 169.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.457 ' HB3' ' HB ' ' A' ' 522' ' ' ILE . 51.6 tp -75.23 95.37 3.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.443 -0.577 . . . . 1.13 109.443 174.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.625 ' NH2' ' HG3' ' A' ' 488' ' ' GLU . 6.5 ttm180 -87.38 120.15 28.38 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.893 -0.594 . . . . 3.84 110.019 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.532 ' HA ' HG12 ' A' ' 485' ' ' VAL . 30.5 mm -77.1 109.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.81 -0.632 . . . . 1.23 110.026 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.452 ' H ' ' HA ' ' A' ' 485' ' ' VAL . 6.7 tp10 -75.6 -55.33 5.77 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.194 -0.912 . . . . 1.52 110.6 -175.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.45 106.61 8.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.007 0.432 . . . . 0.71 110.823 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.4 pp -75.26 -15.15 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.594 0.591 . . . . 1.34 112.594 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.28 -11.55 56.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.269 0.557 . . . . 3.57 110.345 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -81.32 -18.62 45.11 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 121.861 0.838 . . . . 3.59 109.03 174.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 15.0 mt -102.98 173.44 6.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.036 -0.984 . . . . 1.15 110.444 -175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -138.39 75.25 1.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.236 0.541 . . . . 3.74 109.958 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -168.24 -154.04 8.55 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.6 -0.727 . . . . 1.11 111.734 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -100.35 94.36 6.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.755 0.312 . . . . 3.9 110.465 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -133.37 174.28 10.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.444 . . . . 1.14 109.959 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.455 ' C ' ' H ' ' A' ' 519' ' ' ASN . 57.0 mtmt -140.64 156.26 46.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.244 -0.28 . . . . 2.47 110.244 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -79.73 36.58 0.33 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 122.226 1.012 . . . . 2.29 110.66 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.455 ' H ' ' C ' ' A' ' 517' ' ' LYS . 23.4 t-20 -171.18 46.42 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.519 -1.219 . . . . 3.24 107.76 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -120.03 122.72 41.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.029 -0.987 . . . . 1.52 110.204 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -134.1 123.76 24.99 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 115.911 -0.586 . . . . 1.12 109.764 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 73.7 mt -101.63 104.17 15.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 115.373 -0.83 . . . . 1.11 110.642 -176.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.67 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.2 tt0 -71.93 128.91 37.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.719 -0.673 . . . . 0.6 110.201 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -151.79 140.81 21.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.274 -0.421 . . . . 0.27 109.949 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 53.7 m -85.33 144.12 28.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.09 -0.337 . . . . 1.71 110.09 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -131.43 122.39 26.18 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.401 -0.519 . . . . 0.27 110.806 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.09 113.12 24.24 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.709 -0.848 . . . . 0.58 108.709 172.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.97 -4.6 13.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.608 0.596 . . . . 1.09 112.608 -172.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -111.05 -49.92 2.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.011 0.434 . . . . 2.18 110.59 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -82.42 -44.66 15.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.794 -0.639 . . . . 4.71 112.485 -173.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.1 142.94 43.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.304 0.573 . . . . 0.61 111.833 -173.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.63 ' O ' HG22 ' A' ' 536' ' ' VAL . 97.8 t -118.11 125.12 28.15 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.949 . . . . 1.1 108.961 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.71 -38.12 84.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 123.424 2.75 . . . . 0.29 114.015 -173.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.83 -40.99 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.644 -0.422 . . . . 2.34 110.695 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 18.6 t70 -59.53 -42.01 91.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.235 0.54 . . . . 1.09 110.242 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 532' ' ' VAL . 41.9 t -66.64 -41.37 88.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.203 -0.908 . . . . 1.08 110.996 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.39 -25.76 67.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.378 -0.374 . . . . 1.01 110.547 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.7 mm100 -66.17 -42.75 88.51 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.984 -0.376 . . . . 1.08 109.984 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -59.11 -41.87 89.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.16 -0.682 . . . . 2.07 109.16 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.404 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 59.6 mtt -57.7 -43.42 85.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.918 -1.037 . . . . 1.05 110.968 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.637 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 67.2 t -67.41 -50.75 59.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.558 . . . . 1.08 110.724 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -60.03 -42.79 95.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 0.77 111.565 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.4 t -71.96 -12.74 61.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.439 -0.346 . . . . 1.71 111.229 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.12 8.44 56.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.54 113.489 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.454 ' HB3' ' CD1' ' A' ' 522' ' ' ILE . 69.8 m-85 -81.41 -48.32 12.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.284 0.564 . . . . 1.08 110.526 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.637 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 68.9 t -112.23 147.05 16.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.666 -0.697 . . . . 1.05 110.604 -176.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 50.3 t -84.34 138.41 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.002 -0.74 . . . . 1.24 109.002 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . 0.419 ' HB2' HG13 ' A' ' 541' ' ' VAL . 9.3 tp10 -58.82 -24.66 62.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.905 -0.589 . . . . 2.72 111.308 -174.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -69.22 -24.02 76.09 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.949 -0.643 . . . . 0.32 112.58 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -106.59 17.64 23.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 1.23 110.609 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -55.13 -53.97 49.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.3 111.765 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -70.26 -28.36 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.081 -0.248 . . . . 3.4 110.651 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 59.9 m -63.17 -45.21 92.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.097 0.475 . . . . 1.07 110.383 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.522 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.3 mmt -71.04 -43.03 68.7 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.037 -0.529 . . . . 1.01 110.819 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.57 73.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.788 -0.642 . . . . 1.04 110.761 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.49 -39.42 85.2 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.156 -0.475 . . . . 2.3 109.964 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.593 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.5 -46.01 91.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.237 0.542 . . . . 1.0 109.996 175.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 554' ' ' MET . 60.6 mt -61.91 -51.61 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.193 -0.912 . . . . 1.05 110.418 178.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -65.92 -33.24 75.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.855 -0.612 . . . . 2.69 110.824 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.5 -47.75 84.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.005 0.431 . . . . 1.03 110.034 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.2 tpt180 -67.22 -48.84 66.64 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.95 -0.568 . . . . 2.1 110.594 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 558' ' ' ILE . 99.4 t -59.21 -33.46 50.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.274 -0.421 . . . . 1.05 110.693 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 17.2 t -64.41 -49.1 72.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.206 -0.452 . . . . 1.44 110.63 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -69.21 -36.4 77.21 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.877 0.37 . . . . 2.3 110.35 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 61.8 mt -55.69 -53.96 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.459 -0.791 . . . . 1.1 110.805 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 62.7 mttm . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.734 -0.666 . . . . 1.39 110.986 179.165 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.483 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.517 0.209 0 N-CA-C 112.21 -0.356 . . . . 1.18 112.21 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.492 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -155.14 158.81 3.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 123.931 0.892 . . . . 1.14 108.977 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.423 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 20.8 tpp180 -160.63 133.34 6.34 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.133 0.492 . . . . 3.43 110.397 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 42.9 t -108.99 130.07 62.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.969 -0.56 . . . . 1.05 110.97 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -125.6 157.66 36.6 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.964 -1.016 . . . . 2.01 109.845 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 502' ' ' LEU . 77.7 mt -79.12 133.78 36.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.874 -0.603 . . . . 1.12 110.149 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.45 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -70.42 -28.42 65.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.871 0.843 . . . . 1.04 108.842 171.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -114.9 -157.01 0.62 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.165 -1.379 . . . . 2.02 109.113 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -117.23 157.49 25.94 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.198 -1.038 . . . . 2.36 108.198 167.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--N 1.318 -0.772 0 C-N-CA 120.358 -0.537 . . . . 1.37 112.154 -174.519 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 6.2 mm . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 121.374 0.607 . . . . 1.29 109.563 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -102.34 127.01 49.53 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.529 -0.759 . . . . 1.16 110.458 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.431 ' CD1' HD12 ' A' ' 565' ' ' ILE . 15.9 pt -119.88 173.17 6.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.845 -0.616 . . . . 1.11 110.756 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.417 ' HE2' ' CG ' ' A' ' 523' ' ' GLU . 16.4 tptm -115.66 113.44 23.53 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.824 -0.435 . . . . 2.28 109.824 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.463 ' CD2' HD22 ' A' ' 489' ' ' LEU . 40.2 mt -114.08 156.72 23.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 1.3 111.043 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.752 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 34.6 m95 -122.51 123.15 40.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.976 -0.379 . . . . 0.39 109.976 169.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 55.2 tp -81.13 95.48 6.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.921 -0.582 . . . . 1.13 110.237 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -80.24 120.16 23.96 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.058 -0.519 . . . . 3.84 110.005 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 27.9 mm -82.6 107.6 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.69 -0.485 . . . . 1.23 109.69 177.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.483 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 7.4 mm-40 -80.33 -48.28 13.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.963 -0.562 . . . . 1.52 111.77 -173.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -131.36 100.36 5.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.135 0.493 . . . . 0.71 110.506 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.4 pp -76.05 -16.97 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.678 -0.692 . . . . 1.34 112.377 -176.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -74.39 -32.11 62.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.07 0.462 . . . . 3.57 110.338 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -68.99 -16.58 63.76 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.586 -0.734 . . . . 3.59 111.034 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.13 171.29 7.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.769 -0.65 . . . . 1.15 110.006 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -134.94 72.15 1.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.595 0.712 . . . . 3.74 110.09 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -156.82 -135.84 2.01 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.493 -0.776 . . . . 1.11 111.891 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -126.57 93.73 3.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.318 0.58 . . . . 3.9 109.989 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.873 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 20.4 m-85 -137.5 157.16 47.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.33 -0.85 . . . . 1.14 109.632 -177.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' A' ' 519' ' ' ASN . 27.9 mtpp -112.06 151.23 29.62 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.411 -0.218 . . . . 2.47 110.411 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.32 36.27 0.36 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.268 0.556 . . . . 2.29 112.282 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 517' ' ' LYS . 66.4 t30 -177.42 40.09 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.16 -1.052 . . . . 3.24 108.16 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -115.31 138.61 50.78 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.877 -1.056 . . . . 1.52 110.438 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -133.03 135.45 45.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.294 0.568 . . . . 1.12 110.713 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 81.2 mt -103.57 106.77 20.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.103 -0.953 . . . . 1.11 110.755 -177.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.752 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 24.6 tt0 -71.39 130.08 40.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.988 -0.551 . . . . 0.6 110.984 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -149.42 144.29 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 0.27 109.831 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 47.2 t -83.27 144.53 29.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.931 -0.766 . . . . 1.71 108.931 174.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -129.36 113.78 15.38 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.261 -0.575 . . . . 0.27 110.288 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.1 t70 -79.86 99.91 7.76 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.115 -1.069 . . . . 0.58 108.115 172.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 86.7 mt -54.96 -27.59 44.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.043 -0.526 . . . . 1.09 112.16 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -93.03 -45.74 7.78 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 116.225 -0.443 . . . . 2.18 111.814 -176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.74 -44.52 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.49 0.552 . . . . 4.71 112.49 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -76.4 158.66 31.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.63 0.729 . . . . 0.61 112.579 -170.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.81 131.9 24.05 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 114.628 -1.169 . . . . 1.1 109.246 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.409 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 50.7 Cg_exo -57.47 -38.99 92.41 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.482 2.788 . . . . 0.29 112.782 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -68.31 -30.6 69.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.357 -0.383 . . . . 2.34 110.732 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 12.9 t70 -73.82 -45.14 53.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.191 0.52 . . . . 1.09 110.138 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 80.4 t -61.96 -38.7 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.532 -0.758 . . . . 1.08 110.888 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.592 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -67.62 -21.7 65.38 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.976 -0.289 . . . . 1.01 110.79 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 0.0 OUTLIER -74.41 -41.15 61.39 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.845 -0.428 . . . . 1.08 109.845 173.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.87 -41.94 88.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.515 -0.766 . . . . 2.07 109.231 173.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 58.1 mtt -56.25 -40.62 74.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.156 -0.929 . . . . 1.05 111.299 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.648 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 58.2 t -67.93 -48.08 76.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 1.08 110.722 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.38 -33.97 75.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.115 -0.493 . . . . 0.77 111.241 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 22.9 t -76.97 -13.23 59.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.074 -0.512 . . . . 1.71 111.043 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 89.07 27.77 22.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.54 112.984 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.439 ' HB3' HD12 ' A' ' 522' ' ' ILE . 39.3 m-85 -102.79 -38.0 7.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.768 0.318 . . . . 1.08 110.953 177.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 92.3 t -125.46 145.36 32.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.145 -0.48 . . . . 1.05 110.674 -176.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.873 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 44.1 t -83.98 140.07 32.14 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.083 -0.71 . . . . 1.24 109.083 174.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . 0.458 ' HB2' HG13 ' A' ' 541' ' ' VAL . 44.7 tt0 -61.79 -22.59 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.865 -0.607 . . . . 2.72 111.69 -174.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -74.88 -13.2 82.65 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.817 -0.706 . . . . 0.32 112.65 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 554' ' ' MET . 28.0 m-20 -117.2 20.13 13.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.455 0.645 . . . . 1.23 110.193 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -59.95 -43.4 95.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.098 -0.955 . . . . 0.3 111.004 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.98 -41.37 99.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 3.4 110.692 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 24.8 m -59.17 -46.29 88.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.901 -0.591 . . . . 1.07 111.047 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.604 ' O ' HG13 ' A' ' 558' ' ' ILE . 21.5 mmt -70.9 -45.96 63.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.849 -0.614 . . . . 1.01 110.956 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.5 76.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 1.04 110.745 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -64.9 -43.71 91.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.007 -0.542 . . . . 2.3 110.059 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.492 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -58.72 -45.91 88.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.09 0.471 . . . . 1.0 110.267 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 554' ' ' MET . 57.6 mt -61.56 -51.83 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.267 -0.879 . . . . 1.05 110.276 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -63.4 -37.2 86.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 2.69 110.855 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.12 -41.69 94.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 1.03 111.113 -175.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.435 ' NH2' ' HG ' ' A' ' 489' ' ' LEU . 8.4 tpt180 -69.74 -43.98 71.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.787 -0.365 . . . . 2.1 110.143 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.7 -36.3 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.989 -0.55 . . . . 1.05 110.508 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 23.5 t -58.65 -46.82 86.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.238 -0.437 . . . . 1.44 110.147 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.24 -44.27 92.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.168 0.508 . . . . 2.3 110.462 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.431 HD12 ' CD1' ' A' ' 500' ' ' ILE . 87.7 mt -59.39 -48.89 85.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.267 -0.879 . . . . 1.1 111.651 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.82 -0.627 . . . . 1.39 111.418 -179.244 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.418 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.519 0.323 0 N-CA-C 113.684 0.234 . . . . 1.18 113.684 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.555 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -151.76 154.69 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 123.099 0.56 . . . . 1.14 110.371 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -155.5 154.86 32.46 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.845 -0.616 . . . . 3.43 109.358 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 59.3 t -126.83 134.69 65.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.749 0.309 . . . . 1.05 110.472 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -130.04 159.24 37.32 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.707 -0.679 . . . . 2.01 110.71 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.525 ' HG ' ' NH2' ' A' ' 561' ' ' ARG . 71.6 mt -80.62 134.77 35.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 1.12 110.662 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 503' ' ' TRP . . . -83.68 -18.64 37.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.606 . . . . 1.04 110.0 174.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.8 168.26 18.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.165 -0.925 . . . . 2.02 109.747 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -81.1 96.66 7.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.15 -0.477 . . . . 2.36 110.343 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 121.48 0.657 . . . . 1.37 110.849 -178.522 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 23.1 mm . . . . . 0 N--CA 1.448 -0.546 0 CA-C-O 121.342 0.592 . . . . 1.29 109.461 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -126.54 123.46 37.78 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.504 -0.771 . . . . 1.16 110.531 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.418 ' CD1' HD11 ' A' ' 565' ' ' ILE . 10.8 pt -122.28 179.92 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.536 -0.756 . . . . 1.11 110.897 -174.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -124.75 121.14 33.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.87 -0.605 . . . . 2.28 109.393 175.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 29.7 mt -117.41 162.24 18.27 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.865 -0.607 . . . . 1.3 110.623 -176.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.616 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.3 m95 -123.15 124.58 43.38 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.562 -0.533 . . . . 0.39 109.562 168.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.632 HD23 ' SD ' ' A' ' 554' ' ' MET . 57.2 tp -78.26 96.86 5.36 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.133 -0.691 . . . . 1.13 109.133 173.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.431 ' HG3' ' HB3' ' A' ' 521' ' ' ALA . 6.9 ttt180 -91.4 119.15 31.16 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.391 -0.822 . . . . 3.84 109.933 -177.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 26.4 mm -75.16 115.86 17.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 116.238 -0.437 . . . . 1.23 109.852 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.468 ' HG3' ' C ' ' A' ' 485' ' ' VAL . 5.8 mt-10 -75.81 -39.65 56.44 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.347 -0.388 . . . . 1.52 110.833 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.428 ' OD1' ' HB2' ' A' ' 510' ' ' LYS . 11.5 t70 -151.45 112.78 4.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.284 -0.416 . . . . 0.71 110.421 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.5 pp -76.31 -14.74 15.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.945 -0.571 . . . . 1.34 112.441 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . 0.428 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 34.9 mmtp -75.41 -35.26 61.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 3.57 110.506 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -66.8 -21.58 66.04 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.747 -0.66 . . . . 3.59 111.619 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 45.4 mt -91.18 178.48 5.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.371 -0.377 . . . . 1.15 110.327 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -135.71 74.44 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.399 0.619 . . . . 3.74 110.347 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -171.91 -164.04 26.83 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.653 -0.703 . . . . 1.11 111.416 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -97.11 89.23 4.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.094 0.473 . . . . 3.9 110.596 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.872 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 21.3 m-85 -123.91 146.11 48.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.586 -0.734 . . . . 1.14 109.262 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' A' ' 519' ' ' ASN . 36.2 mtmm -107.04 148.2 29.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.655 0.264 . . . . 2.47 110.612 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -79.46 37.19 0.33 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.25 1.024 . . . . 2.29 110.652 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 517' ' ' LYS . 4.4 p-10 -164.13 24.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.709 -1.132 . . . . 3.24 108.896 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.45 135.12 54.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.393 -0.821 . . . . 1.52 111.214 -171.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.431 ' HB3' ' HG3' ' A' ' 505' ' ' ARG . . . -136.45 138.63 41.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.13 -0.941 . . . . 1.12 109.395 177.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.539 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 67.6 mt -102.69 101.87 12.78 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 115.549 -0.75 . . . . 1.11 110.869 -175.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.616 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 24.9 tt0 -68.3 127.3 32.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.37 -0.832 . . . . 0.6 110.375 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -149.13 141.24 23.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.365 -0.38 . . . . 0.27 110.252 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 15.6 m -86.66 146.6 26.24 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.774 -0.454 . . . . 1.71 109.774 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -136.38 120.45 17.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.104 -0.638 . . . . 0.27 111.079 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -88.35 116.1 26.33 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.694 -0.854 . . . . 0.58 108.694 171.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.24 -6.71 30.89 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.134 -0.485 . . . . 1.09 112.077 -172.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -112.65 -45.99 3.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.764 0.316 . . . . 2.18 110.813 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -82.38 -50.17 9.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.302 -0.408 . . . . 4.71 111.984 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.71 153.81 42.45 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.634 0.731 . . . . 0.61 112.613 -171.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 77.5 t -126.87 127.6 24.39 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 114.53 -1.214 . . . . 1.1 109.163 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -57.51 -40.2 82.66 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.221 2.614 . . . . 0.29 112.779 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.65 -37.3 82.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.968 0.413 . . . . 2.34 110.868 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.566 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 7.7 m-20 -70.39 -42.24 71.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.967 -0.56 . . . . 1.09 110.761 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 532' ' ' VAL . 98.3 t -62.27 -38.49 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 1.08 110.822 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.6 ' O ' HG22 ' A' ' 541' ' ' VAL . . . -67.9 -20.31 65.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.401 -0.363 . . . . 1.01 111.162 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -76.03 -39.1 56.36 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.938 -0.393 . . . . 1.08 109.938 174.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -58.46 -41.49 85.3 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.835 -0.802 . . . . 2.07 108.835 173.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 56.8 mtt -55.54 -43.13 75.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.594 -1.184 . . . . 1.05 111.451 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 537' ' ' ALA . 46.6 t -70.32 -43.86 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 1.08 110.884 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.84 -31.34 72.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.445 -0.343 . . . . 0.77 111.283 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.7 t -85.63 -3.12 58.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.225 -0.443 . . . . 1.71 111.083 -177.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 83.63 18.67 63.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.633 -0.794 . . . . 0.54 113.293 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.429 ' HB3' ' CD1' ' A' ' 522' ' ' ILE . 54.5 m-85 -89.84 -42.53 11.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.115 0.483 . . . . 1.08 110.44 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 98.0 t -121.08 146.53 25.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.893 -0.594 . . . . 1.05 110.631 -176.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.872 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 52.7 t -84.84 138.76 32.37 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.443 -0.947 . . . . 1.24 108.443 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . 0.479 ' HB2' HG13 ' A' ' 541' ' ' VAL . 33.2 tt0 -58.0 -20.93 42.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.612 -0.722 . . . . 2.72 112.165 -171.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -76.54 -20.75 76.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.897 -0.668 . . . . 0.32 112.856 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' A' ' 554' ' ' MET . 50.7 m-20 -103.48 15.98 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.181 0.515 . . . . 1.23 109.959 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -57.75 -47.0 83.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.768 . . . . 0.3 111.476 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.45 -39.7 94.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.87 0.367 . . . . 3.4 110.272 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 58.9 m -60.7 -46.07 91.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.881 -0.6 . . . . 1.07 111.105 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.632 ' SD ' HD23 ' A' ' 504' ' ' LEU . 23.1 mmt -67.09 -47.34 71.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 1.01 110.814 -178.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.32 75.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 1.04 110.942 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -66.51 -41.08 89.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.015 -0.539 . . . . 2.3 110.162 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.555 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.2 -45.12 94.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.267 0.556 . . . . 1.0 110.242 175.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 554' ' ' MET . 57.0 mt -61.58 -52.15 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 115.21 -0.904 . . . . 1.05 109.932 177.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -60.68 -39.95 90.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.64 -0.709 . . . . 2.69 111.112 -176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.72 -41.25 96.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 1.03 110.445 -177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.649 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.0 tpt180 -70.82 -46.06 63.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.223 -0.444 . . . . 2.1 110.433 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 558' ' ' ILE . 90.8 t -60.46 -32.35 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 116.257 -0.429 . . . . 1.05 110.351 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 40.7 t -58.59 -51.36 70.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 1.44 110.867 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -71.13 -34.27 70.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.168 0.509 . . . . 2.3 110.694 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.418 HD11 ' CD1' ' A' ' 500' ' ' ILE . 85.5 mt -60.62 -48.22 89.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.66 -0.7 . . . . 1.1 110.733 172.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 1.39 111.101 177.479 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.444 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.517 0.212 0 N-CA-C 113.703 0.241 . . . . 1.18 113.703 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.559 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -153.0 157.89 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 123.056 0.543 . . . . 1.14 109.896 177.314 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -157.23 133.96 10.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.752 -0.658 . . . . 3.43 110.029 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 77.4 t -112.19 135.48 51.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.934 -0.576 . . . . 1.05 111.107 -176.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.447 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 42.7 mt-10 -132.78 163.07 29.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.389 -0.823 . . . . 2.01 110.535 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.565 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 77.8 mt -81.42 135.6 35.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 1.12 110.746 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.505 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -77.77 -24.49 48.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.713 0.768 . . . . 1.04 109.277 171.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . 0.565 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 12.6 pt-20 -138.05 155.52 48.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.674 -1.148 . . . . 2.02 108.945 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.15 126.1 30.32 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.052 -0.522 . . . . 2.36 110.502 -175.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 116.115 -0.493 . . . . 1.37 110.717 179.708 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.434 0.635 . . . . 1.29 109.68 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -133.82 120.2 20.16 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.44 -0.8 . . . . 1.16 110.67 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 12.6 pt -115.8 -178.61 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.328 -0.851 . . . . 1.11 110.648 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -127.32 118.63 24.54 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.992 -0.549 . . . . 2.28 109.888 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 30.1 mt -118.56 155.42 30.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.715 -0.675 . . . . 1.3 110.555 -177.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.711 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 32.1 m95 -118.83 121.6 40.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.924 -0.398 . . . . 0.39 109.924 171.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 60.3 tp -79.25 94.32 5.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.937 -0.574 . . . . 1.13 110.167 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.429 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 87.1 mtt180 -87.49 119.08 27.42 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.501 -0.772 . . . . 3.84 110.53 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 39.1 mm -74.3 120.55 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.736 -0.665 . . . . 1.23 110.214 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.444 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 17.0 mm-40 -87.5 -43.86 11.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.112 -0.494 . . . . 1.52 111.535 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -149.5 107.2 3.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.968 0.413 . . . . 0.71 110.662 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.429 HG21 ' HB2' ' A' ' 516' ' ' TYR . 29.9 pt -75.9 -10.59 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 112.862 0.69 . . . . 1.34 112.862 -177.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -73.29 -25.02 60.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.263 0.554 . . . . 3.57 109.796 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -76.69 -27.73 55.63 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.229 -0.896 . . . . 3.59 109.977 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 48.3 mt -90.87 155.11 19.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.383 -0.826 . . . . 1.15 111.099 -174.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -96.81 -34.87 11.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.49 -0.777 . . . . 3.74 109.802 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -70.5 179.67 29.15 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.529 -0.76 . . . . 1.11 112.602 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -101.03 115.45 30.52 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.225 -0.287 . . . . 3.9 110.225 -177.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.479 ' HH ' ' HA ' ' A' ' 546' ' ' VAL . 60.7 m-85 -139.57 162.57 34.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.019 0.437 . . . . 1.14 110.821 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' A' ' 519' ' ' ASN . 27.1 mtpp -86.82 149.39 24.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.468 -0.787 . . . . 2.47 109.442 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.9 28.32 0.36 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.844 0.831 . . . . 2.29 110.77 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.49 ' H ' ' C ' ' A' ' 517' ' ' LYS . 34.1 t-20 -167.49 41.08 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.348 -1.296 . . . . 3.24 107.824 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 8.3 tp10 -91.6 148.26 22.41 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.92 -1.036 . . . . 1.52 109.607 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.634 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -148.77 113.64 5.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.548 0.689 . . . . 1.12 110.498 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.464 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 98.3 mt -96.61 105.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.917 -1.038 . . . . 1.11 110.41 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.711 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 14.3 tt0 -71.02 125.55 27.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.595 . . . . 0.6 110.529 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . 0.416 ' CD2' HG12 ' A' ' 536' ' ' VAL . 39.4 p90 -142.61 148.39 37.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.269 -0.423 . . . . 0.27 110.015 178.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 50.6 m -89.86 138.25 31.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.27 -0.641 . . . . 1.71 109.27 176.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -122.6 110.82 16.02 Favored 'General case' 0 CA--C 1.508 -0.644 0 C-N-CA 120.34 -0.544 . . . . 0.27 110.431 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . 0.437 ' CG ' ' HB3' ' A' ' 530' ' ' ARG . 9.0 t70 -83.83 117.05 23.04 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.741 -0.837 . . . . 0.58 108.741 172.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 68.2 mt -72.84 -8.47 55.7 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.875 -0.602 . . . . 1.09 111.756 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -112.85 -45.31 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.219 -0.446 . . . . 2.18 110.665 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . 0.437 ' HB3' ' CG ' ' A' ' 527' ' ' ASP . 15.2 ttt180 -82.83 -50.23 8.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 4.71 111.858 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -85.34 143.06 28.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.348 0.594 . . . . 0.61 111.468 -171.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 55.3 t -113.4 138.57 22.53 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.106 -0.952 . . . . 1.1 109.328 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.519 ' HG2' ' HG2' ' A' ' 559' ' ' LYS . 50.8 Cg_exo -47.12 -50.68 10.63 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.379 2.053 . . . . 0.29 112.713 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -67.06 -28.25 68.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.454 -0.339 . . . . 2.34 111.588 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 26.5 t70 -70.38 -42.63 71.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.183 0.516 . . . . 1.09 110.082 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.416 HG12 ' CD2' ' A' ' 524' ' ' PHE . 92.9 t -62.1 -42.13 93.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.56 -0.745 . . . . 1.08 110.356 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.605 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -64.56 -29.15 70.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.176 -0.466 . . . . 1.01 110.575 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 13.8 mm100 -64.95 -45.99 83.41 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 110.009 -0.367 . . . . 1.08 110.009 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 5.0 mm-40 -57.37 -45.08 84.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.191 -0.67 . . . . 2.07 109.191 175.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.446 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.7 mtt -54.95 -45.68 74.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.156 -0.929 . . . . 1.05 111.194 177.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.605 HG21 ' O ' ' A' ' 537' ' ' ALA . 86.0 t -64.67 -50.26 76.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.585 . . . . 1.08 110.88 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.35 -36.99 84.29 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.921 0.341 . . . . 0.77 111.921 -174.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 49.0 m -74.25 -12.2 60.49 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.929 0.344 . . . . 1.71 111.929 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.4 16.4 34.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.375 -0.917 . . . . 0.54 113.366 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.406 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.5 m-85 -91.37 -53.07 4.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.058 0.456 . . . . 1.08 110.52 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 61.8 t -107.92 152.01 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.595 -0.73 . . . . 1.05 110.888 -174.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.418 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 45.5 t -91.24 143.3 26.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.004 -0.739 . . . . 1.24 109.004 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -16.0 51.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 2.72 112.313 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -82.13 -14.6 76.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.804 -0.713 . . . . 0.32 112.661 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 554' ' ' MET . 47.9 m-20 -113.56 15.36 18.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.801 0.334 . . . . 1.23 110.66 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -55.79 -48.71 74.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.021 -0.536 . . . . 0.3 111.373 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -64.27 -39.54 94.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 3.4 110.636 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 83.0 m -61.12 -49.7 76.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 1.07 111.201 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.606 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.6 mmt -64.1 -46.68 83.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.526 . . . . 1.01 110.667 -178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.1 87.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.643 -0.708 . . . . 1.04 111.233 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . 0.485 ' O ' ' HD2' ' A' ' 556' ' ' LYS . 0.3 OUTLIER -64.31 -40.68 96.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.137 -0.69 . . . . 2.3 109.137 179.259 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.559 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -58.41 -46.47 86.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 1.0 110.114 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 554' ' ' MET . 60.2 mt -60.2 -51.35 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.144 -0.935 . . . . 1.05 110.231 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.519 ' HG2' ' HG2' ' A' ' 533' ' ' PRO . 2.6 tmtp? -61.16 -46.72 89.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.06 -0.973 . . . . 2.69 110.582 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.49 -40.31 65.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.134 -0.485 . . . . 1.03 111.392 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.687 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.5 tpt180 -72.7 -48.7 36.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 2.1 110.408 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.32 -35.18 56.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.091 -0.504 . . . . 1.05 111.055 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.0 t -60.33 -47.61 85.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.001 -0.545 . . . . 1.44 110.591 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -73.38 -36.23 66.03 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.955 0.407 . . . . 2.3 110.49 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.52 -54.38 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.689 -0.687 . . . . 1.1 111.098 173.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 1.39 111.023 179.58 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.347 0 N-CA-C 111.219 -0.753 . . . . 1.18 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.572 ' CG2' ' HB1' ' A' ' 557' ' ' ALA . 0.6 OUTLIER -150.15 156.18 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 114.76 -0.72 . . . . 1.14 109.62 -178.117 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -164.11 132.75 3.66 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.51 0.671 . . . . 3.43 110.631 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.573 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 57.9 t -104.63 138.63 28.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 115.237 -0.892 . . . . 1.05 109.978 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.8 157.8 41.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.189 -0.46 . . . . 2.01 110.744 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.47 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 85.9 mt -79.91 129.87 34.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.542 -0.754 . . . . 1.12 110.416 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -71.45 -21.55 61.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.212 0.53 . . . . 1.04 110.046 176.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 9.8 pt-20 -143.79 171.01 14.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.183 -0.917 . . . . 2.02 109.524 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.1 112.15 17.13 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.312 -0.404 . . . . 2.36 110.565 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.858 -0.61 . . . . 1.37 111.784 -175.378 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 18.5 mm . . . . . 0 CA--C 1.503 -0.839 0 N-CA-C 107.865 -1.161 . . . . 1.29 107.865 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -105.52 119.51 39.29 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.322 -1.308 . . . . 1.16 110.044 176.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.4 pt -110.88 -177.66 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 115.279 -0.873 . . . . 1.11 110.835 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -130.02 112.86 13.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.344 -0.613 . . . . 2.28 109.344 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.573 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 54.3 mt -116.44 153.24 32.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.549 . . . . 1.3 111.469 -174.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.681 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.2 m95 -119.26 118.87 32.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.473 -0.566 . . . . 0.39 109.473 169.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.5 HD22 ' SD ' ' A' ' 554' ' ' MET . 39.4 tp -78.11 107.0 10.37 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.093 -0.503 . . . . 1.13 110.073 175.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -99.88 145.14 28.13 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.004 -0.544 . . . . 3.84 110.285 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.7 mm -101.72 105.88 18.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.168 -0.469 . . . . 1.23 111.031 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -67.59 -41.74 83.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.861 -0.609 . . . . 1.52 111.324 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -142.52 102.16 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.081 0.467 . . . . 0.71 110.407 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.06 -17.1 17.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.771 -0.649 . . . . 1.34 112.187 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -71.42 -27.93 63.64 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.733 0.301 . . . . 3.57 111.263 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -82.72 -4.43 57.86 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 120.784 0.326 . . . . 3.59 111.607 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 26.6 mt -101.6 160.09 14.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.503 -0.317 . . . . 1.15 110.464 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -120.32 67.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.067 0.46 . . . . 3.74 110.758 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -158.75 -145.5 4.26 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.754 -0.736 . . . . 1.11 111.939 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -117.39 83.36 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 3.9 110.296 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -123.81 156.33 36.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 1.14 109.865 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.472 ' C ' ' H ' ' A' ' 519' ' ' ASN . 36.4 mtmm -122.36 157.67 31.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.646 -0.252 . . . . 2.47 110.442 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -77.87 37.22 0.23 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.974 0.893 . . . . 2.29 110.729 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 517' ' ' LYS . 6.5 p30 -166.63 33.58 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.46 -1.245 . . . . 3.24 108.325 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.44 136.26 45.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.265 -0.879 . . . . 1.52 110.797 -171.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -144.87 138.52 27.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.477 -0.783 . . . . 1.12 110.251 176.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.481 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 65.1 mt -121.73 105.24 16.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.418 -0.81 . . . . 1.11 110.194 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.681 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 17.8 tt0 -76.41 122.8 25.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.754 -0.657 . . . . 0.6 110.836 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -141.88 142.34 33.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.231 -0.44 . . . . 0.27 110.218 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.2 m -88.22 129.78 35.26 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.497 -0.557 . . . . 1.71 109.497 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -120.88 115.12 22.62 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.597 -0.441 . . . . 0.27 110.92 -173.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 9.8 t70 -81.3 113.01 19.13 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.841 -0.8 . . . . 0.58 108.841 173.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.68 -14.08 60.52 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.26 0.467 . . . . 1.09 112.26 -173.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -106.37 -39.4 5.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.588 0.232 . . . . 2.18 111.113 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.57 -51.61 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.233 0.457 . . . . 4.71 112.233 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.15 150.06 47.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.391 0.615 . . . . 0.61 111.872 -172.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 77.7 t -128.09 129.6 23.66 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 114.974 -1.012 . . . . 1.1 109.892 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 86.6 Cg_exo -48.67 -52.05 9.26 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.85 2.366 . . . . 0.29 113.065 -174.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.94 -28.95 69.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 2.34 111.576 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 23.0 t70 -68.57 -46.83 68.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.163 0.506 . . . . 1.09 109.685 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.2 t -62.37 -40.56 88.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.457 -0.792 . . . . 1.08 111.036 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.57 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -65.88 -27.02 67.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.402 -0.363 . . . . 1.01 111.078 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -70.78 -41.93 71.05 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.954 -0.387 . . . . 1.08 109.954 173.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 36.4 mm-40 -58.01 -41.19 82.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.71 -0.677 . . . . 2.07 109.492 174.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 55.8 mtt -58.93 -36.8 75.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.23 -0.895 . . . . 1.05 111.797 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.653 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 59.6 t -69.82 -38.84 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.039 -0.528 . . . . 1.08 110.318 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.4 -34.0 61.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.865 -0.607 . . . . 0.77 111.152 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 35.6 p -74.75 -21.08 59.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.115 -0.493 . . . . 1.71 111.391 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 98.08 17.49 29.66 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.762 -0.732 . . . . 0.54 112.449 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.447 ' HB3' ' CD1' ' A' ' 522' ' ' ILE . 42.5 m-85 -90.94 -44.1 9.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.087 0.47 . . . . 1.08 110.643 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.653 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 85.1 t -120.48 147.29 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.665 -0.698 . . . . 1.05 110.399 -175.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 40.1 t -91.12 142.19 28.02 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.85 -0.796 . . . . 1.24 108.85 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -55.02 -25.01 27.32 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.295 0.85 . . . . 2.72 113.295 -170.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.04 -21.19 78.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.577 -0.821 . . . . 0.32 112.748 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' A' ' 554' ' ' MET . 45.2 m-20 -102.75 15.17 30.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.867 0.365 . . . . 1.23 110.677 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -56.27 -47.3 78.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.3 111.593 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -64.75 -40.64 95.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.377 . . . . 3.4 110.424 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 485' ' ' VAL . 56.1 m -61.12 -47.5 85.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.617 -0.72 . . . . 1.07 111.211 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.503 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.9 mmt -66.11 -46.99 75.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.132 0.492 . . . . 1.01 110.86 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.45 -33.84 74.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.502 -0.772 . . . . 1.04 111.238 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -66.2 -40.18 90.18 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.386 -0.37 . . . . 2.3 110.186 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.572 ' HB1' ' CG2' ' A' ' 485' ' ' VAL . . . -60.89 -45.23 95.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.38 0.61 . . . . 1.0 110.25 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 554' ' ' MET . 55.6 mt -60.47 -51.46 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 114.86 -1.064 . . . . 1.05 109.963 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.29 -40.42 93.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.765 . . . . 2.69 111.318 -176.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.68 -42.34 98.05 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.138 0.494 . . . . 1.03 110.051 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.655 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 0.4 OUTLIER -65.47 -53.03 48.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.598 . . . . 2.1 110.674 177.003 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 558' ' ' ILE . 92.6 t -55.65 -37.18 45.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.232 -0.44 . . . . 1.05 110.677 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 47.6 t -55.47 -56.89 15.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 1.44 110.668 176.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -66.73 -36.22 81.94 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.868 0.366 . . . . 2.3 110.785 -176.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 63.3 mt -53.77 -52.17 37.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.815 -0.629 . . . . 1.1 110.619 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.631 -0.713 . . . . 1.39 111.492 -179.858 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.406 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 C--O 1.228 -0.224 0 CA-C-O 120.685 0.047 . . . . 1.18 113.034 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.583 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -148.68 161.78 5.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 122.861 0.464 . . . . 1.14 110.774 177.092 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -163.2 137.05 5.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.865 -0.607 . . . . 3.43 110.254 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.434 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 50.5 t -112.98 137.62 45.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.903 -0.59 . . . . 1.05 111.191 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.439 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 58.3 mt-10 -134.45 160.58 37.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.291 -0.868 . . . . 2.01 110.719 -176.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.496 ' HG ' ' NH2' ' A' ' 561' ' ' ARG . 74.4 mt -80.26 140.29 36.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.875 -0.602 . . . . 1.12 110.288 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.459 ' HB3' ' CD1' ' A' ' 503' ' ' TRP . . . -86.45 -0.34 55.8 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.75 0.786 . . . . 1.04 109.313 172.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.38 179.49 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.646 -1.161 . . . . 2.02 110.086 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -102.32 76.41 1.56 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.193 -0.458 . . . . 2.36 109.985 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.431 -0.35 . . . . 1.37 110.806 -177.363 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 30.4 mm . . . . . 0 N--CA 1.446 -0.663 0 CA-C-O 121.046 0.45 . . . . 1.29 110.211 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -128.78 134.02 48.25 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.101 -0.5 . . . . 1.16 110.814 -176.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.422 ' CD1' HD12 ' A' ' 565' ' ' ILE . 11.8 pt -131.24 -177.4 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 115.552 -0.749 . . . . 1.11 110.769 -175.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 23.1 ttmm -130.75 121.33 25.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.809 -0.632 . . . . 2.28 109.398 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.434 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 42.6 mt -116.65 157.6 25.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.144 -0.48 . . . . 1.3 111.484 -175.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.732 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 38.7 m95 -121.2 120.07 34.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.39 109.971 170.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.581 HD22 ' SD ' ' A' ' 554' ' ' MET . 51.1 tp -81.84 96.14 7.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.717 -0.674 . . . . 1.13 109.802 175.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.443 ' HG2' ' HB1' ' A' ' 521' ' ' ALA . 35.5 mtm105 -85.3 135.75 33.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.085 -0.507 . . . . 3.84 110.249 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 509' ' ' ILE . 30.8 mm -91.41 118.03 35.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.033 -0.53 . . . . 1.23 110.387 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.406 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.2 mm-40 -82.51 -41.99 18.98 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.074 -0.512 . . . . 1.52 111.692 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.585 ' CG ' ' HD3' ' A' ' 511' ' ' LYS . 11.5 t0 -143.63 102.0 3.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.071 0.463 . . . . 0.71 111.078 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 506' ' ' ILE . 2.9 pp -77.52 -6.51 9.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.267 0.84 . . . . 1.34 113.267 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -75.46 -38.54 59.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.478 0.656 . . . . 3.57 109.489 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . 0.585 ' HD3' ' CG ' ' A' ' 508' ' ' ASP . 14.1 mptt -64.82 -35.73 82.05 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.009 -0.996 . . . . 3.59 111.402 177.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.07 144.21 30.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.884 -0.598 . . . . 1.15 110.979 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -112.54 75.93 0.95 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.922 -0.581 . . . . 3.74 110.119 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -167.32 -148.99 5.84 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.492 -0.643 . . . . 1.11 111.492 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.14 101.52 10.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.041 0.448 . . . . 3.9 110.095 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.538 ' HH ' ' HA ' ' A' ' 546' ' ' VAL . 72.9 m-85 -142.21 169.28 17.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.723 -0.672 . . . . 1.14 110.354 -177.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 519' ' ' ASN . 10.1 mtmp? -133.79 154.29 51.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.811 -0.631 . . . . 2.47 109.47 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -76.74 37.11 0.17 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.833 0.825 . . . . 2.29 110.629 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.482 ' H ' ' C ' ' A' ' 517' ' ' LYS . 27.9 p30 -166.66 28.09 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.876 -1.056 . . . . 3.24 109.084 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -97.68 139.77 33.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.306 -0.861 . . . . 1.52 110.817 -172.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.566 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -148.42 125.49 11.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.658 -0.701 . . . . 1.12 110.486 176.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 95.7 mt -105.0 109.06 26.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.283 -0.871 . . . . 1.11 110.568 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.732 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 20.2 tt0 -75.51 127.88 34.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.888 -0.597 . . . . 0.6 110.351 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -146.74 140.97 26.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.933 -0.395 . . . . 0.27 109.933 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 28.9 m -87.74 139.62 30.35 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.729 -0.471 . . . . 1.71 109.729 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -130.14 115.66 17.35 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.236 -0.585 . . . . 0.27 111.147 -171.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 531' ' ' ASP . 12.4 t70 -85.46 111.06 19.62 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.239 -1.023 . . . . 0.58 108.239 171.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.99 -15.55 56.63 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.173 -0.467 . . . . 1.09 112.184 -172.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -101.66 -43.87 5.74 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.978 -0.289 . . . . 2.18 111.289 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -88.66 -42.48 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.39 0.515 . . . . 4.71 112.39 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 527' ' ' ASP . 2.4 m-20 -74.67 139.29 43.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.562 0.696 . . . . 0.61 111.906 -173.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 96.8 t -114.57 127.25 27.01 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 114.727 -1.124 . . . . 1.1 108.259 174.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.429 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 34.2 Cg_exo -60.07 -37.24 85.67 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.878 2.386 . . . . 0.29 112.526 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -63.53 -36.53 84.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.125 -0.489 . . . . 2.34 110.619 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.576 ' O ' ' HG3' ' A' ' 539' ' ' GLU . 22.9 t70 -70.73 -42.14 70.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.843 -0.429 . . . . 1.09 109.843 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.414 ' HA ' ' OE1' ' A' ' 539' ' ' GLU . 99.3 t -57.91 -48.99 82.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 1.08 110.248 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.565 ' O ' HG22 ' A' ' 541' ' ' VAL . . . -64.32 -18.81 64.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 1.01 111.029 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.577 ' HA ' HE21 ' A' ' 538' ' ' GLN . 0.0 OUTLIER -81.65 -41.52 21.3 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.28 -0.637 . . . . 1.08 109.28 176.414 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 535' ' ' ASP . 21.1 mt-10 -57.88 -41.17 81.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.743 -0.836 . . . . 2.07 108.743 173.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.451 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 54.7 mtt -54.59 -42.47 71.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.409 -1.269 . . . . 1.05 111.145 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.0 t -68.99 -47.79 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.162 -0.472 . . . . 1.08 110.794 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 44.1 mt-10 -63.7 -34.54 78.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.942 -0.572 . . . . 0.77 111.718 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 45.6 m -89.53 7.2 37.44 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.895 0.332 . . . . 1.71 111.895 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 85.78 9.71 77.43 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.882 -0.675 . . . . 0.54 114.079 172.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -82.08 -55.59 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.263 0.554 . . . . 1.08 110.672 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 79.4 t -111.54 149.08 14.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.514 -0.767 . . . . 1.05 110.954 -173.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 51.8 t -85.94 141.75 29.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.007 -0.542 . . . . 1.24 109.642 175.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.98 -20.43 63.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.64 -0.709 . . . . 2.72 112.329 -173.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -77.78 -17.36 78.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.583 -0.818 . . . . 0.32 112.361 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 554' ' ' MET . 7.3 m-20 -116.76 25.53 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.452 0.644 . . . . 1.23 110.509 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -58.01 -44.27 87.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.944 -1.026 . . . . 0.3 110.479 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -66.54 -41.79 88.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 3.4 110.865 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 20.8 m -56.72 -46.15 81.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.844 -0.616 . . . . 1.07 110.882 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.584 ' O ' HG13 ' A' ' 558' ' ' ILE . 22.6 mmt -68.62 -48.69 63.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.703 -0.68 . . . . 1.01 110.917 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.38 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.89 -0.595 . . . . 1.04 111.143 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 10.7 tmtt? -66.98 -44.4 80.52 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.415 -0.587 . . . . 2.3 109.415 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.583 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -58.17 -45.69 87.05 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.28 0.562 . . . . 1.0 110.141 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 554' ' ' MET . 40.0 mt -62.04 -48.0 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.112 -0.949 . . . . 1.05 109.978 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -63.16 -38.66 92.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.654 -0.703 . . . . 2.69 110.972 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.54 -40.81 97.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.03 110.462 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.688 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.2 tpt180 -73.36 -45.48 54.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.825 -0.625 . . . . 2.1 110.51 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 558' ' ' ILE . 71.0 t -59.91 -36.28 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.652 -0.249 . . . . 1.05 110.961 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 28.6 t -56.36 -49.9 73.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.114 -0.494 . . . . 1.44 110.56 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -72.29 -38.3 68.8 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.533 -0.303 . . . . 2.3 110.313 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.422 HD12 ' CD1' ' A' ' 500' ' ' ILE . 70.6 mt -55.11 -54.36 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 1.1 111.387 175.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 51.9 mttp . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.889 -0.596 . . . . 1.39 110.88 178.684 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.361 0 CA-C-O 120.858 0.144 . . . . 1.18 112.932 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.546 ' CG2' ' HB1' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -155.53 153.9 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 C-N-CA 124.143 0.977 . . . . 1.14 108.926 177.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -164.91 143.18 6.48 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.707 -0.479 . . . . 3.43 109.707 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.638 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 65.3 t -109.26 136.82 43.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.046 0.451 . . . . 1.05 111.474 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.577 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 73.3 mm-40 -121.4 159.66 25.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.29 -0.868 . . . . 2.01 109.839 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.5 ' HG ' ' NH2' ' A' ' 561' ' ' ARG . 68.9 mt -81.67 139.01 35.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.189 -0.46 . . . . 1.12 109.971 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -82.35 -20.73 36.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.527 0.679 . . . . 1.04 109.796 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.65 -169.27 2.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.076 -0.966 . . . . 2.02 109.132 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -105.94 89.25 3.02 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.858 -0.337 . . . . 2.36 110.485 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 18.1 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 1.37 111.016 179.179 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . 0.47 HG23 ' CB ' ' A' ' 529' ' ' GLU . 16.0 mm . . . . . 0 CA--C 1.515 -0.397 0 CA-C-O 121.383 0.611 . . . . 1.29 109.642 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -137.31 127.64 26.41 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.47 -0.786 . . . . 1.16 110.469 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 14.0 pt -126.82 -178.1 2.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.017 -0.538 . . . . 1.11 111.335 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -123.83 115.78 21.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 2.28 109.422 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.638 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 57.6 mt -115.32 159.77 20.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.0 -0.546 . . . . 1.3 111.239 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.684 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 38.3 m95 -122.61 125.31 45.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.731 0.301 . . . . 0.39 110.5 169.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.629 HD21 ' SD ' ' A' ' 554' ' ' MET . 23.8 tp -81.46 98.71 8.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.22 -0.446 . . . . 1.13 110.263 176.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -84.31 137.04 33.66 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 120.837 -0.345 . . . . 3.84 110.449 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 509' ' ' ILE . 27.8 mm -90.41 108.87 20.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.904 -0.589 . . . . 1.23 109.441 173.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -79.76 -38.2 33.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.273 -0.421 . . . . 1.52 110.842 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -151.47 111.3 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.095 -0.502 . . . . 0.71 110.125 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 506' ' ' ILE . 2.1 pp -74.66 -11.6 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.48 0.548 . . . . 1.34 112.48 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . 0.514 ' HZ1' ' HB3' ' A' ' 510' ' ' LYS . 3.4 mmmp? -76.48 -22.04 55.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.366 0.603 . . . . 3.57 110.247 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -73.95 -18.37 60.89 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.516 -0.765 . . . . 3.59 110.754 174.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 27.8 mt -102.05 151.91 21.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.772 -0.649 . . . . 1.15 111.6 -172.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -89.97 -26.48 20.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.256 -0.884 . . . . 3.74 110.464 -176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -84.18 -166.31 40.58 Favored Glycine 0 C--N 1.317 -0.515 0 CA-C-N 115.404 -0.816 . . . . 1.11 112.578 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -111.58 110.85 21.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 3.9 110.373 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.78 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 16.3 m-85 -132.49 169.1 17.04 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.115 -0.698 . . . . 1.14 109.115 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' A' ' 519' ' ' ASN . 35.0 mtmm -98.95 139.82 34.04 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.632 -0.507 . . . . 2.47 109.632 175.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.64 37.52 0.53 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.826 0.822 . . . . 2.29 110.64 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 517' ' ' LYS . 31.7 p30 -167.03 26.04 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.379 -1.282 . . . . 3.24 108.947 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 13.0 tt0 -111.34 143.81 41.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.113 -0.949 . . . . 1.52 111.102 -171.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.46 140.01 44.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.849 -0.614 . . . . 1.12 110.631 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 545' ' ' TYR . 96.8 mt -108.75 107.83 23.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.22 -0.9 . . . . 1.11 110.601 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.1 tt0 -68.3 129.03 38.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 0.6 110.877 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . 0.489 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 40.1 p90 -146.21 142.76 28.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.405 -0.362 . . . . 0.27 110.072 176.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.4 m -84.57 143.2 29.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.17 -0.678 . . . . 1.71 109.17 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -131.93 115.76 16.28 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 119.722 -0.791 . . . . 0.27 110.918 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.67 102.28 12.83 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.227 -1.027 . . . . 0.58 108.227 171.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.93 -18.37 60.05 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.417 0.627 . . . . 1.09 111.363 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . 0.47 ' CB ' HG23 ' A' ' 498' ' ' ILE . 33.8 tt0 -93.24 -43.32 8.88 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.125 -0.943 . . . . 2.18 111.058 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -97.44 -46.65 5.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.898 0.703 . . . . 4.71 112.898 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.6 146.77 46.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.747 0.784 . . . . 0.61 112.431 -171.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 89.4 t -117.08 135.04 22.97 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.535 -1.211 . . . . 1.1 108.681 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.36 -36.84 70.41 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.466 2.777 . . . . 0.29 112.971 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -71.28 -33.07 69.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.452 -0.34 . . . . 2.34 111.235 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 27.1 t70 -69.69 -43.92 71.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.048 0.451 . . . . 1.09 110.081 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.88 -42.07 94.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.714 -0.676 . . . . 1.08 110.629 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.587 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -64.73 -26.76 68.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.511 -0.313 . . . . 1.01 110.582 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 9.1 mm100 -66.79 -45.81 77.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.43 -0.35 . . . . 1.08 110.236 173.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 29.0 mm-40 -59.15 -40.58 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 2.07 109.676 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.462 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 55.8 mtt -55.3 -46.09 76.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.001 -1.0 . . . . 1.05 110.954 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.671 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 64.7 t -65.6 -49.93 74.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 1.08 111.069 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.19 -36.5 84.25 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.131 0.419 . . . . 0.77 112.131 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 54.0 m -81.94 -8.76 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.657 -0.417 . . . . 1.71 111.7 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 94.79 9.43 58.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.592 -0.813 . . . . 0.54 113.773 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.457 ' HB3' HD12 ' A' ' 522' ' ' ILE . 82.5 m-85 -77.75 -43.5 30.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.294 0.568 . . . . 1.08 110.102 177.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.671 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 81.9 t -122.84 147.85 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.102 -0.954 . . . . 1.05 110.308 -175.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.78 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 41.4 t -83.69 145.12 28.94 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.314 -0.625 . . . . 1.24 109.314 174.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.17 -26.23 60.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 2.72 111.1 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -71.2 -15.75 74.8 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.985 -0.626 . . . . 0.32 112.462 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 554' ' ' MET . 68.4 m-20 -109.56 11.79 24.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.604 0.24 . . . . 1.23 111.056 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . 0.446 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 45.6 t-80 -56.98 -50.91 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.38 . . . . 0.3 111.57 -177.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.18 -33.14 75.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.207 0.527 . . . . 3.4 110.489 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 33.0 m -67.63 -47.23 70.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.227 -0.897 . . . . 1.07 111.001 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.629 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.3 mmt -67.92 -42.1 81.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 1.01 110.786 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.71 -33.73 70.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.625 -0.716 . . . . 1.04 110.561 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -69.02 -44.96 71.7 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.924 -0.58 . . . . 2.3 110.582 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.546 ' HB1' ' CG2' ' A' ' 485' ' ' VAL . . . -57.9 -46.02 85.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.35 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.489 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 80.2 mt -61.65 -50.76 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.284 -0.871 . . . . 1.05 110.259 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -57.98 -44.11 86.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.981 -0.554 . . . . 2.69 111.287 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -56.7 -47.81 79.08 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.826 0.346 . . . . 1.03 111.167 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.647 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.1 tpt180 -68.09 -44.44 76.24 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.82 -0.352 . . . . 2.1 110.101 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.466 ' CG1' ' HE3' ' A' ' 566' ' ' LYS . 75.4 t -60.47 -34.62 58.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.141 -0.481 . . . . 1.05 111.089 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 71.1 m -62.03 -44.76 96.01 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 111.639 0.237 . . . . 1.44 111.639 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -74.91 -31.8 61.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.347 0.594 . . . . 2.3 110.472 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.404 ' CD1' ' HG3' ' A' ' 561' ' ' ARG . 78.1 mt -63.07 -51.94 65.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.323 -0.853 . . . . 1.1 111.136 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . 0.466 ' HE3' ' CG1' ' A' ' 562' ' ' VAL . 97.3 mttt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.894 -0.593 . . . . 1.39 111.338 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.083 0 CA-C-O 120.715 0.064 . . . . 1.18 113.234 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.515 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.7 OUTLIER -148.65 155.75 8.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 122.712 0.405 . . . . 1.14 110.144 177.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.694 ' HD2' ' C ' ' A' ' 486' ' ' ARG . 2.0 tmm_? -164.8 136.21 4.24 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.327 -0.852 . . . . 3.43 109.05 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.533 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 65.0 t -109.24 136.54 44.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.659 -0.7 . . . . 1.05 111.169 -176.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -120.71 163.61 17.83 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.142 -0.936 . . . . 2.01 110.012 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 493' ' ' ASP . 66.7 mt -83.69 149.5 26.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.953 -0.567 . . . . 1.12 110.687 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.563 ' HB1' ' CD1' ' A' ' 503' ' ' TRP . . . -92.73 -2.0 56.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.69 -0.687 . . . . 1.04 110.074 174.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -152.37 -177.87 6.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.925 -1.034 . . . . 2.02 109.629 -172.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -94.02 81.28 4.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.145 0.498 . . . . 2.36 110.6 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . 0.449 ' HB3' HD11 ' A' ' 489' ' ' LEU . 22.3 t70 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.796 -0.638 . . . . 1.37 110.518 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.329 0.585 . . . . 1.29 109.747 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -112.4 122.75 48.6 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.448 -0.796 . . . . 1.16 110.278 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' A' ' 565' ' ' ILE . 12.5 pt -116.94 175.61 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.524 -0.762 . . . . 1.11 111.264 -173.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.489 ' HD2' ' CG ' ' A' ' 523' ' ' GLU . 4.5 tppp? -119.89 118.66 31.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.654 -0.703 . . . . 2.28 109.888 176.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.533 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 48.5 mt -117.18 158.2 24.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.879 -0.6 . . . . 1.3 110.94 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.714 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.3 m95 -125.4 117.36 23.53 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.651 -0.5 . . . . 0.39 109.651 170.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 38.0 tp -73.4 107.33 5.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 1.13 110.49 178.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.488 ' HA ' ' O ' ' A' ' 520' ' ' GLU . 60.8 mtt180 -98.19 129.01 44.96 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.192 -0.458 . . . . 3.84 110.59 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.402 HG22 HG21 ' A' ' 509' ' ' ILE . 21.0 mm -82.75 114.47 23.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.065 -0.717 . . . . 1.23 109.065 174.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.36 -37.39 57.34 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.846 -0.616 . . . . 1.52 110.569 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.466 ' OD1' ' HB2' ' A' ' 510' ' ' LYS . 16.0 t70 -150.26 109.69 3.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.515 -0.766 . . . . 0.71 109.237 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.402 HG21 HG22 ' A' ' 506' ' ' ILE . 2.3 pp -73.89 -17.16 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.959 0.409 . . . . 1.34 111.028 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . 0.466 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 33.2 mmtp -70.99 -28.67 64.61 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.227 0.536 . . . . 3.57 110.078 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -66.97 -18.04 65.2 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.41 -0.814 . . . . 3.59 111.178 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 19.4 mt -103.89 163.29 12.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.087 -0.506 . . . . 1.15 110.724 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -105.57 7.62 32.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.011 -0.541 . . . . 3.74 110.093 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -102.79 -175.14 26.87 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.616 -0.72 . . . . 1.11 111.673 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . 0.54 ' HD2' ' N ' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -110.87 109.92 20.3 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.728 -0.471 . . . . 3.9 109.728 -178.791 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.422 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 78.6 m-85 -137.05 152.27 49.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.885 0.374 . . . . 1.14 110.824 -175.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.516 ' C ' ' H ' ' A' ' 519' ' ' ASN . 55.1 mtpt -74.44 144.9 44.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.728 -0.669 . . . . 2.47 109.765 174.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -78.9 36.54 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.171 0.986 . . . . 2.29 110.179 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 517' ' ' LYS . 3.2 t-20 -168.9 27.52 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.36 -1.291 . . . . 3.24 108.238 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 5.4 tp10 -84.04 132.37 34.73 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.365 -0.834 . . . . 1.52 110.57 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.64 111.95 9.8 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.441 -0.8 . . . . 1.12 110.189 176.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.493 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 63.1 mt -97.13 106.69 18.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 114.601 -1.181 . . . . 1.11 110.688 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.714 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.2 tt0 -68.81 132.86 47.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.307 -0.406 . . . . 0.6 111.022 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . 0.52 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 37.2 p90 -151.21 145.78 25.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.065 -0.516 . . . . 0.27 110.189 175.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 52.1 m -90.81 142.01 28.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.965 -0.383 . . . . 1.71 109.965 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -131.2 115.37 16.26 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.51 -0.476 . . . . 0.27 110.681 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 11.3 t70 -84.34 113.46 21.17 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.544 -0.91 . . . . 0.58 108.544 171.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.33 -22.85 66.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.946 -0.57 . . . . 1.09 112.188 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -103.03 -29.14 11.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.74 0.305 . . . . 2.18 111.575 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -106.98 -44.04 4.5 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.785 0.661 . . . . 4.71 112.785 -174.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.12 150.24 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.174 0.511 . . . . 0.61 111.549 -175.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 71.7 t -120.4 133.07 23.96 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.406 -0.815 . . . . 1.1 109.914 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.526 ' HG2' ' HG2' ' A' ' 559' ' ' LYS . 36.3 Cg_exo -55.27 -41.15 81.23 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.507 2.804 . . . . 0.29 112.78 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -71.53 -32.88 68.66 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.236 -0.438 . . . . 2.34 110.908 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 20.1 t70 -69.13 -47.52 64.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.301 -0.408 . . . . 1.09 110.112 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.477 HG12 ' CD2' ' A' ' 524' ' ' PHE . 100.0 t -59.46 -41.7 85.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 1.08 110.851 178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -66.36 -25.73 66.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 1.01 110.958 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -75.46 -40.34 57.57 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.716 0.293 . . . . 1.08 110.268 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 49.4 mm-40 -57.31 -40.84 78.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.343 -0.614 . . . . 2.07 109.343 172.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.447 ' HB2' ' O ' ' A' ' 537' ' ' ALA . 56.1 mtt -55.58 -45.38 77.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.022 -0.99 . . . . 1.05 110.975 175.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 537' ' ' ALA . 93.6 t -65.23 -51.17 68.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.839 -0.619 . . . . 1.08 111.217 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.54 -33.01 74.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.77 111.822 -175.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.7 m -83.39 -2.08 54.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.708 0.29 . . . . 1.71 111.435 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 84.97 28.79 30.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.797 -0.716 . . . . 0.54 113.13 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.488 ' HB3' HD12 ' A' ' 522' ' ' ILE . 64.0 m-85 -98.45 -51.02 4.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.152 0.501 . . . . 1.08 110.601 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 71.6 t -115.93 150.15 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.315 -0.857 . . . . 1.05 110.83 -172.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.1 t -83.92 141.08 31.53 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.205 -0.665 . . . . 1.24 109.205 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -14.06 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.783 0.66 . . . . 2.72 112.783 -173.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -90.86 -13.95 58.59 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.504 -0.855 . . . . 0.32 112.499 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 554' ' ' MET . 15.9 m-20 -108.45 19.56 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.422 0.629 . . . . 1.23 110.128 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -60.28 -47.15 87.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.199 -0.909 . . . . 0.3 110.983 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -56.28 -41.5 75.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 3.4 110.959 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 35.4 m -65.69 -44.68 85.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 1.07 111.166 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.58 ' SD ' HD22 ' A' ' 504' ' ' LEU . 23.6 mmt -69.59 -45.5 68.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 1.01 111.18 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.92 74.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 1.04 110.48 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -65.4 -42.27 92.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.402 -0.817 . . . . 2.3 110.519 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.515 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -62.1 -45.53 93.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.218 0.532 . . . . 1.0 110.488 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 86.1 mt -61.77 -49.41 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 115.294 -0.866 . . . . 1.05 110.424 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 1.8 tmtt? -64.53 -44.26 91.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.706 -0.679 . . . . 2.69 110.467 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.3 -50.5 64.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.126 -0.488 . . . . 1.03 111.238 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.645 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 6.7 tpt180 -64.17 -47.84 78.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.08 -0.509 . . . . 2.1 110.657 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 558' ' ' ILE . 77.8 t -56.5 -32.97 37.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.764 -0.653 . . . . 1.05 111.294 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 53.5 m -64.48 -43.87 92.79 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 111.959 0.355 . . . . 1.44 111.959 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.1 pp -74.5 -32.3 62.48 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.618 0.723 . . . . 2.3 109.952 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' A' ' 500' ' ' ILE . 72.9 mt -61.43 -47.28 94.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 114.92 -1.036 . . . . 1.1 111.069 173.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 94.6 mttt . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 1.39 111.001 177.427 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.443 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.516 0.133 0 N-CA-C 113.653 0.221 . . . . 1.18 113.653 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.582 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -153.41 159.37 3.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 123.1 0.56 . . . . 1.14 109.607 177.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.448 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 15.5 tpp180 -159.09 131.7 6.84 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.366 0.603 . . . . 3.43 110.289 177.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.58 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 46.4 t -104.13 137.1 34.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.411 -0.813 . . . . 1.05 110.714 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.536 ' OE2' ' HD2' ' A' ' 505' ' ' ARG . 44.5 mt-10 -129.46 158.1 40.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.625 -0.716 . . . . 2.01 110.517 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 502' ' ' LEU . 76.3 mt -77.3 137.58 38.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.835 -0.621 . . . . 1.12 110.664 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 503' ' ' TRP . . . -81.03 -18.32 47.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.41 0.624 . . . . 1.04 110.221 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -141.5 168.65 19.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.277 -0.874 . . . . 2.02 109.776 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.43 115.21 14.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.215 -0.448 . . . . 2.36 110.254 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.187 0.518 . . . . 1.37 111.405 -177.738 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 121.628 0.728 . . . . 1.29 109.475 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -126.02 121.99 34.57 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.033 -0.985 . . . . 1.16 110.524 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 565' ' ' ILE . 10.5 pt -118.25 -174.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.572 -0.74 . . . . 1.11 110.805 -174.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 30.2 ttpt -136.84 122.26 19.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.826 -0.625 . . . . 2.28 109.952 177.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.58 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 28.1 mt -119.83 159.13 25.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.502 -0.772 . . . . 1.3 110.967 -172.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.701 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.1 m95 -121.95 121.35 36.87 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.764 -0.458 . . . . 0.39 109.764 169.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.606 HD23 ' SD ' ' A' ' 554' ' ' MET . 60.7 tp -78.88 96.19 5.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.123 -0.489 . . . . 1.13 109.992 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.536 ' HD2' ' OE2' ' A' ' 488' ' ' GLU . 43.7 mtt180 -90.85 123.62 34.53 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.788 -0.642 . . . . 3.84 110.43 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.8 mm -79.13 122.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 1.23 110.175 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.443 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 6.9 mm-40 -86.12 -47.24 9.69 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.025 -0.534 . . . . 1.52 110.765 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.451 ' OD1' ' HG2' ' A' ' 511' ' ' LYS . 12.8 t70 -134.45 105.63 6.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.315 -0.402 . . . . 0.71 110.188 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.39 -9.23 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 1.34 111.888 -177.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . 0.405 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 35.5 mmtp -81.86 -29.92 32.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 3.57 110.375 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . 0.451 ' HG2' ' OD1' ' A' ' 508' ' ' ASP . 74.2 mmtt -68.8 -10.8 58.79 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.865 -0.607 . . . . 3.59 110.954 176.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 15.8 mt -111.34 156.21 21.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 1.15 110.649 -175.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -102.06 -16.13 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 3.74 111.157 -175.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -78.23 -154.73 7.48 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.752 -0.737 . . . . 1.11 113.147 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 105.17 12.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.714 -0.476 . . . . 3.9 109.714 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -136.73 149.09 47.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.987 0.422 . . . . 1.14 110.53 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.435 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 49.3 mtmt -101.15 157.17 16.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.978 -0.555 . . . . 2.47 109.949 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -80.52 17.77 1.04 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.494 0.664 . . . . 2.29 111.73 -173.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 517' ' ' LYS . 47.5 m-80 -149.04 22.25 0.97 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.873 -1.058 . . . . 3.24 109.073 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 16.0 tt0 -97.04 139.64 32.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 1.52 110.966 -173.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.521 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -143.55 132.13 22.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.199 -0.91 . . . . 1.12 110.529 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.49 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 89.4 mt -103.99 104.31 16.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-N 115.418 -0.81 . . . . 1.11 110.654 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.701 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 25.2 tt0 -71.25 128.49 36.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.6 110.399 178.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -149.41 140.95 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.174 -0.466 . . . . 0.27 109.982 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 8.9 p -83.44 150.13 26.23 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.678 -0.49 . . . . 1.71 109.678 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -137.02 114.86 11.34 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.052 -0.659 . . . . 0.27 110.955 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.18 110.13 18.28 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.581 -0.896 . . . . 0.58 108.581 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.453 ' CD2' HG13 ' A' ' 562' ' ' VAL . 86.4 mt -63.57 -20.03 65.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.154 -0.475 . . . . 1.09 112.113 -172.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -96.47 -46.97 6.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.433 -0.349 . . . . 2.18 111.586 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -90.04 -38.24 13.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.053 0.761 . . . . 4.71 113.053 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -83.59 152.93 24.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.493 0.663 . . . . 0.61 112.041 -172.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 76.0 t -126.93 131.89 24.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.086 -0.961 . . . . 1.1 109.718 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -54.2 -39.5 86.07 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.574 2.849 . . . . 0.29 113.648 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.03 -25.26 59.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.667 0.27 . . . . 2.34 111.198 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -72.51 -48.04 43.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.412 0.625 . . . . 1.09 109.703 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.48 -40.67 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.164 -0.925 . . . . 1.08 111.169 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.594 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.28 -17.3 64.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.367 . . . . 1.01 111.216 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -78.05 -40.7 37.91 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 110.129 -0.323 . . . . 1.08 110.129 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -57.19 -41.7 79.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.997 -0.742 . . . . 2.07 108.997 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.429 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 56.2 mtt -55.14 -42.09 72.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.844 -1.071 . . . . 1.05 111.335 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.642 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.6 t -70.2 -46.76 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 1.08 111.039 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.09 -34.62 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.77 111.636 -175.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 23.4 m -75.6 -9.6 58.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.66 0.267 . . . . 1.71 111.431 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 92.25 16.01 51.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.54 113.041 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.436 ' HB3' ' CD1' ' A' ' 522' ' ' ILE . 44.2 m-85 -90.97 -52.44 4.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.344 0.592 . . . . 1.08 110.889 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.642 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 73.2 t -111.64 148.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.463 -0.79 . . . . 1.05 110.484 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.0 t -82.16 140.49 33.72 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.244 -0.65 . . . . 1.24 109.244 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . 0.456 ' HB2' HG13 ' A' ' 541' ' ' VAL . 13.3 tm-20 -56.32 -32.33 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 2.72 110.694 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.92 -32.65 84.91 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.7 -0.762 . . . . 0.32 112.216 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -89.16 7.88 32.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.367 . . . . 1.23 111.026 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -54.99 -39.4 68.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.04 -0.527 . . . . 0.3 111.376 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' A' ' 552' ' ' LYS . 0.1 OUTLIER -66.72 -43.61 83.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.04 0.447 . . . . 3.4 110.483 -177.251 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 59.3 m -65.1 -44.98 87.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.312 -0.858 . . . . 1.07 111.051 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.606 ' SD ' HD23 ' A' ' 504' ' ' LEU . 22.4 mmt -67.41 -47.03 71.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.963 -0.562 . . . . 1.01 110.938 -177.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.79 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 1.04 110.753 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . 0.448 ' O ' ' HD2' ' A' ' 556' ' ' LYS . 0.0 OUTLIER -72.78 -37.6 67.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.379 -0.6 . . . . 2.3 109.379 177.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.582 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.61 -46.93 88.4 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.17 0.509 . . . . 1.0 109.844 174.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 554' ' ' MET . 59.1 mt -59.89 -53.62 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 114.997 -1.001 . . . . 1.05 110.026 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -61.03 -40.35 93.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.849 -0.614 . . . . 2.69 111.032 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . 0.401 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 9.2 t0 -54.96 -52.83 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 1.03 110.296 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 561' ' ' ARG . 16.1 tpt180 -67.16 -47.78 69.98 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.407 -0.815 . . . . 2.1 110.813 -178.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 558' ' ' ILE . 79.2 t -58.15 -39.34 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.969 -0.559 . . . . 1.05 111.394 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.0 t -62.06 -40.93 97.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.263 -0.426 . . . . 1.44 110.217 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 76.2 mt -68.79 -38.97 80.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.387 0.613 . . . . 2.3 110.319 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.463 HD11 ' CD1' ' A' ' 500' ' ' ILE . 81.3 mt -60.09 -44.16 94.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.121 -0.945 . . . . 1.1 110.967 176.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 39.2 mttm . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 115.584 -0.735 . . . . 1.39 110.984 175.636 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.601 0 N-CA-C 110.233 -1.147 . . . . 1.18 110.233 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.61 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -149.04 154.62 9.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.465 -0.868 . . . . 1.14 109.85 -179.442 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -156.97 135.63 11.55 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.344 0.593 . . . . 3.43 110.646 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 47.2 t -109.69 136.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.375 -0.829 . . . . 1.05 110.555 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.423 ' OE2' ' HD2' ' A' ' 505' ' ' ARG . 39.5 mt-10 -132.83 162.16 32.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.395 -0.821 . . . . 2.01 110.161 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.55 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 84.8 mt -84.11 141.49 31.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.976 -0.556 . . . . 1.12 111.675 -174.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.506 ' HB3' ' CD1' ' A' ' 503' ' ' TRP . . . -88.83 -11.31 45.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.576 -0.738 . . . . 1.04 109.478 171.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . 0.55 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 13.2 pt-20 -154.43 167.48 29.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.113 -0.949 . . . . 2.02 109.457 -176.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.79 122.59 23.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.463 -0.335 . . . . 2.36 110.568 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 . . . . . 0 N--CA 1.443 -0.804 0 CA-C-O 121.735 0.779 . . . . 1.37 111.246 -178.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 36.6 mm . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 109.317 -0.623 . . . . 1.29 109.317 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -120.31 121.43 38.62 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.44 -0.8 . . . . 1.16 110.992 -177.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.53 ' CD1' HD13 ' A' ' 565' ' ' ILE . 14.9 pt -114.6 -177.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.404 -0.816 . . . . 1.11 110.488 -177.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.511 ' HD2' ' CG ' ' A' ' 523' ' ' GLU . 4.0 tppp? -123.29 121.84 36.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.254 -0.43 . . . . 2.28 110.421 177.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.44 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 25.9 mt -119.66 157.84 27.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.712 -0.676 . . . . 1.3 110.483 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.636 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.3 m95 -121.76 128.88 52.24 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.765 -0.458 . . . . 0.39 109.765 170.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.575 HD23 ' SD ' ' A' ' 554' ' ' MET . 57.1 tp -89.9 109.06 20.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 1.13 110.672 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.453 ' HG2' ' HB3' ' A' ' 521' ' ' ALA . 58.3 mtt85 -102.76 140.53 36.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.237 -0.438 . . . . 3.84 110.567 177.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.2 mm -93.66 126.78 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.366 -0.379 . . . . 1.23 110.607 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -87.0 -29.45 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.928 -0.578 . . . . 1.52 111.007 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.417 ' CG ' ' HG2' ' A' ' 511' ' ' LYS . 23.3 t0 -147.06 90.59 1.91 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.98 -0.554 . . . . 0.71 110.029 -177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.5 pp -73.53 -10.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.299 -0.409 . . . . 1.34 111.136 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.16 -25.94 36.45 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.992 -0.549 . . . . 3.57 111.144 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . 0.417 ' HG2' ' CG ' ' A' ' 508' ' ' ASP . 46.0 mmtm -83.46 -24.2 31.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.894 0.378 . . . . 3.59 111.255 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 36.1 mt -81.71 159.19 23.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.942 -0.572 . . . . 1.15 110.394 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -112.12 66.32 0.64 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.688 0.756 . . . . 3.74 109.492 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.21 -170.62 25.04 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.033 -0.985 . . . . 1.11 110.731 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -106.48 101.66 11.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.165 0.483 . . . . 3.9 110.784 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -136.03 145.66 46.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.628 -0.714 . . . . 1.14 109.733 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 519' ' ' ASN . 9.1 mptt -90.98 156.58 17.85 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.234 -0.654 . . . . 2.47 109.234 176.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.93 35.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.85 0.833 . . . . 2.29 110.709 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.5 ' H ' ' C ' ' A' ' 517' ' ' LYS . 27.3 t-20 -174.95 37.21 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.543 -1.208 . . . . 3.24 108.09 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -105.22 135.12 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.343 -0.844 . . . . 1.52 109.986 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.96 118.93 16.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.72 -0.673 . . . . 1.12 110.58 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 95.0 mt -95.14 105.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 114.922 -1.035 . . . . 1.11 110.484 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.636 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 19.6 tt0 -72.27 126.74 30.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.141 -0.481 . . . . 0.6 110.267 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . 0.45 ' CD2' HG13 ' A' ' 536' ' ' VAL . 36.3 p90 -146.28 145.1 30.24 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.948 -0.39 . . . . 0.27 109.948 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 32.5 p -88.94 149.53 23.27 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.699 -0.482 . . . . 1.71 109.699 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 29.4 t80 -130.29 116.61 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.412 -0.515 . . . . 0.27 110.707 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . 0.404 ' HB3' ' H ' ' A' ' 531' ' ' ASP . 10.7 t70 -84.58 109.42 17.94 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.807 -0.812 . . . . 0.58 108.807 173.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 59.7 mt -68.16 -9.03 43.67 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.863 -0.608 . . . . 1.09 112.209 -172.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -105.78 -50.44 3.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.347 . . . . 2.18 110.944 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -86.37 -50.38 6.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.537 0.569 . . . . 4.71 112.537 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . 0.404 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 51.3 m-20 -72.32 147.82 45.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.325 0.583 . . . . 0.61 111.388 -173.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 70.3 t -120.41 140.27 29.99 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.289 -0.869 . . . . 1.1 109.098 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.94 -49.1 18.43 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.063 1.842 . . . . 0.29 112.249 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.71 -30.21 70.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.412 -0.358 . . . . 2.34 111.453 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.14 -46.01 62.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.117 0.484 . . . . 1.09 110.143 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.702 ' O ' ' HG3' ' A' ' 539' ' ' GLU . 89.2 t -64.43 -37.37 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.701 -0.681 . . . . 1.08 110.42 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.0 -14.52 62.97 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.601 -0.44 . . . . 1.01 110.938 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.406 ' HG2' ' NE2' ' A' ' 551' ' ' HIS . 9.8 mm100 -84.81 -42.41 15.16 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.827 -0.169 . . . . 1.08 110.692 174.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . 0.702 ' HG3' ' O ' ' A' ' 536' ' ' VAL . 0.0 OUTLIER -67.0 -28.92 68.65 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.527 -0.545 . . . . 2.07 109.527 176.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 52.5 mtt -58.67 -45.75 88.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.431 -0.804 . . . . 1.05 110.469 170.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.608 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 86.1 t -65.2 -50.26 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.473 -0.785 . . . . 1.08 110.936 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.31 -36.05 74.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.31 -0.404 . . . . 0.77 111.449 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 20.2 m -80.87 -1.51 43.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.4 -0.364 . . . . 1.71 111.535 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 88.54 0.7 81.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.952 -0.642 . . . . 0.54 113.537 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.403 ' HB3' HD11 ' A' ' 522' ' ' ILE . 66.8 m-85 -70.54 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.169 0.509 . . . . 1.08 110.568 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 95.8 t -101.05 148.28 7.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.615 -0.721 . . . . 1.05 110.294 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 37.9 t -90.27 139.01 31.07 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.335 -0.987 . . . . 1.24 108.335 173.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . 0.491 ' HB2' HG11 ' A' ' 541' ' ' VAL . 34.3 tt0 -66.55 -11.72 54.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.277 0.473 . . . . 2.72 112.277 -168.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -79.13 -17.63 76.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.781 -0.723 . . . . 0.32 112.038 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -113.28 24.31 12.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.531 0.681 . . . . 1.23 109.549 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . 0.406 ' NE2' ' HG2' ' A' ' 538' ' ' GLN . 18.4 t-80 -61.92 -44.87 95.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.87 -1.059 . . . . 0.3 111.631 -176.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -67.72 -39.7 84.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.292 . . . . 3.4 110.87 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 69.5 m -56.74 -45.67 81.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.817 -0.629 . . . . 1.07 110.917 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.577 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.8 mmt -67.58 -47.45 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.514 . . . . 1.01 110.833 -178.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -59.46 -37.52 78.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.606 -0.724 . . . . 1.04 111.368 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.54 -40.06 92.48 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.128 -0.487 . . . . 2.3 110.108 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.61 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -59.67 -46.46 88.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.327 0.584 . . . . 1.0 110.185 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 554' ' ' MET . 59.0 mt -59.83 -52.33 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.905 -1.043 . . . . 1.05 110.33 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.08 -39.18 88.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.851 -0.613 . . . . 2.69 111.081 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.04 -35.58 81.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 1.03 110.89 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 561' ' ' ARG . 8.4 tpt180 -76.31 -45.6 31.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.904 0.383 . . . . 2.1 110.403 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 558' ' ' ILE . 95.9 t -59.38 -27.75 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.748 -0.66 . . . . 1.05 110.511 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.8 t -56.76 -51.11 70.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.497 . . . . 1.44 110.444 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.23 -38.7 90.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.547 0.689 . . . . 2.3 110.762 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.53 HD13 ' CD1' ' A' ' 500' ' ' ILE . 57.4 mt -68.77 -45.85 80.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.124 -0.944 . . . . 1.1 111.411 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 94.5 mttt . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.139 -0.482 . . . . 1.39 111.594 179.392 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.424 ' CA ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.443 -0.889 0 N-CA-C 111.104 -0.799 . . . . 1.18 111.104 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.52 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 1.2 m -142.86 154.24 17.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.321 -0.439 . . . . 1.14 111.229 178.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.461 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 13.8 tpp180 -158.87 133.93 8.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.637 0.732 . . . . 3.43 111.464 177.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.461 ' H ' ' HD3' ' A' ' 486' ' ' ARG . 43.5 t -109.74 134.98 50.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.176 -0.92 . . . . 1.05 110.217 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.78 156.78 44.4 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.734 -0.666 . . . . 2.01 110.706 -176.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 43.3 mt -79.8 133.48 36.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.765 -0.652 . . . . 1.12 110.635 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.576 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -81.0 -18.51 46.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.547 0.689 . . . . 1.04 109.679 174.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 11.2 pt-20 -137.66 156.67 47.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.577 -1.192 . . . . 2.02 109.055 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.36 115.71 8.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.931 -0.577 . . . . 2.36 110.378 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.137 0.494 . . . . 1.37 110.729 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 40.8 mm . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 121.201 0.524 . . . . 1.29 109.922 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -133.23 120.87 21.68 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.743 . . . . 1.16 110.549 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.506 ' CD1' HD12 ' A' ' 565' ' ' ILE . 10.5 pt -115.34 -178.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.413 -0.812 . . . . 1.11 110.884 -174.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -125.29 113.32 17.45 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.08 -0.509 . . . . 2.28 109.753 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.454 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 29.9 mt -114.21 158.18 21.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.714 -0.676 . . . . 1.3 110.49 -176.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.688 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.5 m95 -120.68 118.98 31.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.717 -0.475 . . . . 0.39 109.717 169.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.546 HD22 ' SD ' ' A' ' 554' ' ' MET . 49.9 tp -75.69 107.41 7.84 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.593 -0.521 . . . . 1.13 109.593 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.421 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 61.9 mtt180 -110.7 151.97 27.09 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 116.11 -0.496 . . . . 3.84 110.672 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 13.3 mm -103.41 125.65 57.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.005 -0.543 . . . . 1.23 110.878 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.424 ' HB2' ' CA ' ' A' ' 484' ' ' GLY . 6.2 mm-40 -79.27 -40.61 30.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.224 0.535 . . . . 1.52 110.246 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.402 ' CG ' ' HG2' ' A' ' 511' ' ' LYS . 8.7 t0 -143.15 97.52 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.432 -0.804 . . . . 0.71 109.777 -175.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.6 pp -73.78 -6.0 7.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.995 -0.548 . . . . 1.34 112.157 -175.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -91.56 -17.42 25.65 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.845 0.355 . . . . 3.57 111.17 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . 0.402 ' HG2' ' CG ' ' A' ' 508' ' ' ASP . 26.4 mmtp -86.14 -10.34 54.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.284 0.564 . . . . 3.59 110.468 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 47.1 mt -95.68 164.28 12.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.501 -0.772 . . . . 1.15 109.953 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -98.0 -32.3 11.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.317 0.58 . . . . 3.74 109.974 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -67.62 170.21 36.17 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.521 -0.763 . . . . 1.11 113.26 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -90.93 118.69 30.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.838 0.351 . . . . 3.9 110.294 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.481 ' HH ' ' HA ' ' A' ' 546' ' ' VAL . 75.4 m-85 -139.43 176.67 8.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.796 0.331 . . . . 1.14 110.305 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' A' ' 519' ' ' ASN . 52.4 mtpt -118.7 154.43 32.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.787 -0.642 . . . . 2.47 110.103 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -78.94 37.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.982 0.896 . . . . 2.29 110.371 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 517' ' ' LYS . 66.2 t30 179.42 42.32 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.249 -1.341 . . . . 3.24 107.417 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 8.9 tp10 -103.14 137.68 40.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.843 -1.071 . . . . 1.52 110.209 -172.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.421 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -145.6 137.74 25.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.441 0.638 . . . . 1.12 111.158 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.505 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 67.7 mt -119.5 102.89 13.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.937 -1.029 . . . . 1.11 110.024 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.688 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.7 tt0 -71.52 130.65 41.8 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.957 -0.565 . . . . 0.6 110.274 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -151.47 142.06 22.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.422 -0.354 . . . . 0.27 110.308 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 11.8 t -83.18 145.63 29.08 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.342 -0.614 . . . . 1.71 109.342 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 30.0 t80 -130.19 118.34 21.27 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.476 -0.49 . . . . 0.27 110.7 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -86.58 108.63 18.67 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.726 -0.842 . . . . 0.58 108.726 172.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.04 -20.04 65.64 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.876 -0.602 . . . . 1.09 112.041 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -97.26 -36.88 10.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.504 -0.316 . . . . 2.18 111.425 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -99.58 -47.46 5.1 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.762 0.653 . . . . 4.71 112.762 -175.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -73.69 146.79 44.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.493 0.663 . . . . 0.61 112.567 -169.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 75.5 t -117.3 126.56 27.32 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 114.792 -1.095 . . . . 1.1 109.189 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.432 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 48.8 Cg_exo -55.77 -38.79 93.96 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.404 2.736 . . . . 0.29 113.033 -174.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.71 -36.81 81.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.03 0.443 . . . . 2.34 110.584 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.568 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 0.1 OUTLIER -72.64 -35.07 67.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.752 -0.658 . . . . 1.09 110.567 -179.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 93.4 t -68.19 -43.37 84.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.772 -0.649 . . . . 1.08 110.335 176.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.6 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -63.29 -24.43 67.86 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.677 -0.409 . . . . 1.01 110.386 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.2 mm100 -68.46 -49.67 58.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.438 -0.347 . . . . 1.08 110.691 174.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 536' ' ' VAL . 12.8 pt-20 -66.2 -27.41 67.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.792 -0.447 . . . . 2.07 109.792 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 52.9 mtt -59.59 -47.94 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.648 -0.705 . . . . 1.05 110.569 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.6 HG21 ' O ' ' A' ' 537' ' ' ALA . 66.0 t -64.43 -48.34 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.866 -0.606 . . . . 1.08 110.718 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.42 -32.02 71.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.944 -0.571 . . . . 0.77 111.878 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.3 m -87.22 2.74 49.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.816 0.341 . . . . 1.71 111.505 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 81.73 15.25 76.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.856 -0.688 . . . . 0.54 113.19 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -85.49 -52.52 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.091 0.472 . . . . 1.08 110.41 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 69.2 t -112.32 151.47 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.519 -0.764 . . . . 1.05 110.649 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 43.5 t -86.02 139.14 31.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.285 -0.635 . . . . 1.24 109.285 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . 0.447 ' HB2' HG13 ' A' ' 541' ' ' VAL . 11.2 tp10 -60.45 -26.75 66.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.748 -0.66 . . . . 2.72 111.396 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.26 -16.15 80.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.764 -0.732 . . . . 0.32 112.616 177.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -113.15 15.35 19.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.164 0.507 . . . . 1.23 110.122 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -58.5 -46.16 87.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.456 -0.793 . . . . 0.3 110.995 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -57.68 -46.33 84.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 3.4 110.924 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 37.4 m -58.59 -43.01 89.37 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.348 -0.842 . . . . 1.07 111.317 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.585 ' O ' HG13 ' A' ' 558' ' ' ILE . 23.0 mmt -70.73 -46.88 62.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.344 -0.389 . . . . 1.01 110.923 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.0 80.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 1.04 110.89 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 6.9 tmtm? -64.87 -43.39 93.11 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.196 -0.668 . . . . 2.3 109.196 176.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.52 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -57.58 -46.04 84.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.381 176.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 554' ' ' MET . 62.2 mt -60.91 -49.03 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.203 -0.908 . . . . 1.05 109.991 177.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -62.97 -39.72 95.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.818 -0.628 . . . . 2.69 111.009 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -59.7 -44.81 93.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.849 0.357 . . . . 1.03 110.221 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' A' ' 561' ' ' ARG . 8.3 tpt180 -69.62 -46.74 65.53 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.087 -0.506 . . . . 2.1 110.473 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 558' ' ' ILE . 99.5 t -62.07 -36.53 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.113 -0.494 . . . . 1.05 111.291 -177.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 14.3 t -62.33 -40.71 97.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.148 0.499 . . . . 1.44 110.094 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 90.9 mt -67.86 -41.38 82.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.719 . . . . 2.3 110.513 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.506 HD12 ' CD1' ' A' ' 500' ' ' ILE . 94.9 mt -63.72 -45.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.197 -0.911 . . . . 1.1 111.144 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 88.1 mttt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.871 -0.604 . . . . 1.39 111.664 -179.698 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 111.368 -0.693 . . . . 1.18 111.368 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.52 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -151.74 155.26 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 C-N-CA 123.353 0.661 . . . . 1.14 110.083 -175.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.437 ' HD2' ' H ' ' A' ' 487' ' ' VAL . 26.1 tpt180 -155.37 138.39 15.48 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.286 0.565 . . . . 3.43 110.968 176.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.437 ' H ' ' HD2' ' A' ' 486' ' ' ARG . 59.9 t -114.6 126.92 72.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.264 -0.88 . . . . 1.05 110.573 -175.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -128.7 152.04 48.85 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.428 -0.805 . . . . 2.01 111.226 -174.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.542 HD22 ' CD1' ' A' ' 502' ' ' LEU . 46.2 mt -72.89 139.89 47.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.669 -0.696 . . . . 1.12 110.123 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -82.04 -23.87 35.64 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.379 0.609 . . . . 1.04 109.661 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 -169.93 2.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.286 -0.87 . . . . 2.02 110.535 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.98 108.95 20.03 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.912 -0.586 . . . . 2.36 110.594 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . 0.413 ' HB3' HD13 ' A' ' 489' ' ' LEU . 22.4 t70 . . . . . 0 C--N 1.321 -0.65 0 C-N-CA 120.57 -0.452 . . . . 1.37 111.364 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 32.7 mm . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 121.213 0.53 . . . . 1.29 109.816 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -131.86 118.05 19.33 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.346 0.593 . . . . 1.16 110.826 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.564 ' CD1' HD13 ' A' ' 565' ' ' ILE . 11.1 pt -117.82 -171.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.109 -0.95 . . . . 1.11 110.277 -175.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 7.8 ttpm? -141.74 108.37 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.885 0.374 . . . . 2.28 111.087 179.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.542 ' CD1' HD22 ' A' ' 489' ' ' LEU . 1.9 mm? -95.63 167.21 11.43 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.321 0.582 . . . . 1.3 111.661 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.73 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.4 m95 -123.19 120.68 33.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.028 -0.987 . . . . 0.39 109.286 165.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.542 ' HB3' ' HB ' ' A' ' 522' ' ' ILE . 50.9 tp -83.09 104.31 13.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.444 -0.344 . . . . 1.13 110.49 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 -90.17 132.36 35.51 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.26 -0.427 . . . . 3.84 110.469 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.416 HG21 HG23 ' A' ' 509' ' ' ILE . 16.6 mm -87.73 113.64 25.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.428 -0.582 . . . . 1.23 109.428 175.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.11 -54.1 5.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.13 -0.486 . . . . 1.52 111.047 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -129.25 99.74 5.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.947 -0.569 . . . . 0.71 110.27 -175.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.416 HG23 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -75.26 -10.34 13.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.519 -0.764 . . . . 1.34 111.838 -176.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -81.87 -14.57 56.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.185 -0.461 . . . . 3.57 110.817 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . 0.527 ' HB2' ' HZ2' ' A' ' 511' ' ' LYS . 0.1 OUTLIER -84.59 -27.57 27.15 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.437 0.637 . . . . 3.59 109.399 177.169 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 41.7 mt -87.35 156.88 19.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.357 -0.838 . . . . 1.15 110.105 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -99.09 -11.45 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.313 -0.403 . . . . 3.74 110.854 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -80.52 -162.68 27.55 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.044 -0.598 . . . . 1.11 112.449 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 515' ' ' LYS . 0.2 OUTLIER -116.9 102.7 9.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.553 -0.536 . . . . 3.9 109.553 178.599 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.431 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 78.5 m-85 -130.91 173.59 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 1.14 111.366 -174.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.457 ' C ' ' H ' ' A' ' 519' ' ' ASN . 81.5 mttt -115.24 137.62 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.314 -0.857 . . . . 2.47 108.954 176.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -79.12 35.96 0.27 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.746 0.784 . . . . 2.29 111.246 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' A' ' 517' ' ' LYS . 8.5 p30 -161.68 25.5 0.12 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.897 -1.047 . . . . 3.24 109.646 178.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -102.69 141.85 34.81 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.956 -0.566 . . . . 1.52 110.286 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -132.4 124.03 27.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.605 -0.725 . . . . 1.12 110.531 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.542 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 97.4 mt -102.63 105.29 17.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.102 -0.954 . . . . 1.11 110.738 -177.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.73 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 20.6 tt0 -74.78 126.1 30.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.957 -0.565 . . . . 0.6 110.876 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . 0.434 ' CD2' HG11 ' A' ' 536' ' ' VAL . 43.7 p90 -145.97 141.95 28.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.764 0.316 . . . . 0.27 110.412 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 62.8 p -84.81 143.54 29.03 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.736 -0.468 . . . . 1.71 109.736 177.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . 0.411 ' CD1' HD21 ' A' ' 528' ' ' LEU . 19.6 t80 -126.82 112.7 15.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.172 -0.611 . . . . 0.27 110.571 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -84.94 108.2 17.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.502 -0.925 . . . . 0.58 108.502 172.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 526' ' ' PHE . 63.8 mt -67.67 -9.74 46.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.161 -0.472 . . . . 1.09 112.137 -172.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -106.96 -42.4 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.794 0.331 . . . . 2.18 110.965 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -89.63 -51.86 5.3 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.0 0.371 . . . . 4.71 112.0 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.01 156.21 39.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.738 0.78 . . . . 0.61 112.0 -173.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 76.4 t -131.11 137.79 31.47 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 114.671 -1.149 . . . . 1.1 108.88 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -53.03 -49.46 17.51 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.213 1.942 . . . . 0.29 112.161 -176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.33 -30.62 71.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.853 -0.612 . . . . 2.34 111.363 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 26.8 t70 -70.12 -46.53 64.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.149 0.5 . . . . 1.09 110.04 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.434 HG11 ' CD2' ' A' ' 524' ' ' PHE . 93.8 t -60.34 -42.32 90.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.501 -0.772 . . . . 1.08 110.238 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.571 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -64.35 -27.77 69.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 1.01 110.823 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.452 ' HG2' ' NE2' ' A' ' 551' ' ' HIS . 7.8 mm100 -69.46 -45.78 68.26 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 110.067 -0.346 . . . . 1.08 110.067 174.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 50.7 mm-40 -57.88 -40.59 80.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.257 0.551 . . . . 2.07 109.734 175.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.402 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 54.0 mtt -55.4 -41.59 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.268 -0.878 . . . . 1.05 110.925 177.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 65.1 t -67.08 -50.97 58.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.897 -0.592 . . . . 1.08 110.849 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.77 -28.25 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.77 111.673 -177.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' SER . . . . . 0.426 ' HB2' ' CD2' ' A' ' 545' ' ' TYR . 17.6 m -84.59 -14.45 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.809 0.338 . . . . 1.71 111.239 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.53 7.74 56.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.54 113.078 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.426 ' CD2' ' HB2' ' A' ' 543' ' ' SER . 66.7 m-85 -78.8 -52.0 8.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.124 0.488 . . . . 1.08 110.376 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 95.4 t -116.61 151.75 18.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.438 -0.801 . . . . 1.05 110.642 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.431 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 49.2 t -92.85 143.09 26.61 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.685 -0.857 . . . . 1.24 108.685 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . 0.416 ' HB3' HG12 ' A' ' 541' ' ' VAL . 12.3 pt-20 -64.0 -14.4 53.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 2.72 112.184 -173.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -81.05 -18.42 69.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.32 112.286 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -113.93 22.32 14.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.55 0.69 . . . . 1.23 109.778 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . 0.452 ' NE2' ' HG2' ' A' ' 538' ' ' GLN . 16.6 t-80 -61.31 -50.78 71.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.128 -0.942 . . . . 0.3 111.895 -175.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -68.6 -30.62 69.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.61 0.243 . . . . 3.4 111.143 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 84.3 m -59.41 -48.61 80.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.965 -0.561 . . . . 1.07 110.772 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.566 ' O ' HG13 ' A' ' 558' ' ' ILE . 25.3 mmt -66.0 -44.2 85.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.665 -0.698 . . . . 1.01 110.59 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.58 73.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.596 -0.729 . . . . 1.04 111.278 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -65.64 -41.95 92.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.942 0.401 . . . . 2.3 109.954 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.52 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -60.97 -44.81 96.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.297 176.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 554' ' ' MET . 57.0 mt -63.03 -49.38 83.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.314 -0.857 . . . . 1.05 110.314 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -64.51 -33.33 75.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.915 -0.584 . . . . 2.69 111.022 -175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.5 -44.84 93.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 1.03 110.846 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -68.58 -45.16 72.79 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.172 -0.467 . . . . 2.1 109.87 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 76.0 t -61.92 -33.66 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.508 -0.769 . . . . 1.05 111.373 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 13.3 t -61.95 -43.81 98.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.961 0.41 . . . . 1.44 110.516 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.33 -43.49 85.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.331 0.586 . . . . 2.3 110.006 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.564 HD13 ' CD1' ' A' ' 500' ' ' ILE . 84.7 mt -60.36 -47.92 90.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.04 -0.982 . . . . 1.1 111.701 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.944 -0.571 . . . . 1.39 111.526 -179.846 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.566 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.388 0 CA-C-O 120.244 -0.198 . . . . 1.18 113.489 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.569 ' CG2' ' HB1' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -156.91 158.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 122.501 0.32 . . . . 1.14 110.583 178.698 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -164.37 139.1 5.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.798 -0.637 . . . . 3.43 110.016 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.578 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 49.2 t -111.92 144.97 18.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.188 -0.46 . . . . 1.05 110.863 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -133.74 165.13 25.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.963 -0.562 . . . . 2.01 110.876 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.543 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 93.8 mt -85.5 129.04 34.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.466 -0.788 . . . . 1.12 110.855 -178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.54 ' HB3' ' CD1' ' A' ' 503' ' ' TRP . . . -76.67 -13.57 60.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.743 0.782 . . . . 1.04 109.961 174.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 11.1 pt-20 -139.29 163.33 32.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.456 -1.247 . . . . 2.02 108.569 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -81.57 115.41 20.85 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.542 -0.54 . . . . 2.36 109.542 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.181 -0.463 . . . . 1.37 110.992 -176.867 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 33.0 mm . . . . . 0 CA--C 1.514 -0.419 0 CA-C-O 121.347 0.594 . . . . 1.29 110.413 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -107.77 123.76 49.03 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.451 -0.795 . . . . 1.16 110.644 -178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 16.5 pt -120.48 -176.41 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.638 -0.71 . . . . 1.11 111.038 -175.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 490' ' ' ALA . 11.3 tptm -125.37 114.93 19.53 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.084 -0.507 . . . . 2.28 109.665 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.578 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 48.0 mt -115.45 156.72 25.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.985 -0.552 . . . . 1.3 111.089 -176.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.684 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.4 m95 -121.94 124.03 43.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.894 -0.409 . . . . 0.39 109.894 170.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 56.7 tp -83.51 96.24 8.54 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.074 0.464 . . . . 1.13 110.328 176.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -87.65 119.73 28.26 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.537 -0.756 . . . . 3.84 110.55 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 12.7 mm -79.96 124.69 38.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.752 -0.658 . . . . 1.23 110.087 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.566 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 18.5 mm-40 -92.73 -45.3 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.071 -0.513 . . . . 1.52 111.836 -175.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -137.29 96.45 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.283 0.563 . . . . 0.71 110.557 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.98 -13.11 14.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.664 -0.698 . . . . 1.34 112.022 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -75.35 -17.63 60.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.874 0.369 . . . . 3.57 110.837 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . 0.443 ' HZ1' ' HB3' ' A' ' 511' ' ' LYS . 4.8 mmmp? -85.07 -18.84 33.08 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.113 0.482 . . . . 3.59 111.116 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 19.1 mt -91.49 149.79 21.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.738 -0.664 . . . . 1.15 110.917 -173.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -107.54 54.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.272 0.558 . . . . 3.74 110.558 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.21 -171.85 26.66 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.706 -0.679 . . . . 1.11 111.516 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -92.4 103.77 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.09 0.471 . . . . 3.9 110.762 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.725 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 48.5 m-85 -135.76 170.19 16.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 1.14 110.055 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.444 ' C ' ' H ' ' A' ' 519' ' ' ASN . 49.5 mtmt -125.69 151.47 46.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.001 -0.545 . . . . 2.47 109.804 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -80.73 31.5 0.3 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.536 0.684 . . . . 2.29 111.218 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 517' ' ' LYS . 26.9 p-10 -159.97 23.78 0.17 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.031 -0.986 . . . . 3.24 109.746 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.0 140.13 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.665 . . . . 1.52 110.534 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.634 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -143.14 113.3 7.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.578 -0.737 . . . . 1.12 110.285 177.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.505 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 68.3 mt -92.79 105.17 16.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 114.748 -1.114 . . . . 1.11 110.858 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.1 tt0 -73.43 126.43 30.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.948 -0.569 . . . . 0.6 110.428 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . 0.469 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 47.6 p90 -144.43 143.97 31.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.839 0.352 . . . . 0.27 110.437 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.5 p -86.67 136.46 33.02 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.823 -0.436 . . . . 1.71 109.823 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 31.9 t80 -125.81 116.43 21.57 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.529 -0.469 . . . . 0.27 111.156 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.31 106.08 13.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.077 -1.083 . . . . 0.58 108.077 170.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.32 -15.44 48.05 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.035 0.754 . . . . 1.09 113.035 -170.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -106.84 -43.83 4.58 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.964 -0.294 . . . . 2.18 111.429 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -81.57 -52.0 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.831 0.308 . . . . 4.71 111.831 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -75.28 146.51 40.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.448 0.642 . . . . 0.61 111.61 -171.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 73.3 t -116.82 137.83 24.1 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.018 -0.992 . . . . 1.1 109.316 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -51.03 -46.61 29.94 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.801 2.334 . . . . 0.29 112.077 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -61.42 -36.77 81.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.911 -0.586 . . . . 2.34 111.202 176.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.84 -46.37 75.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.285 0.564 . . . . 1.09 110.127 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.11 -40.14 87.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.253 -0.885 . . . . 1.08 111.071 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.87 -28.27 69.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.539 -0.301 . . . . 1.01 110.782 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -68.85 -41.02 79.04 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.211 -0.292 . . . . 1.08 110.211 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -58.91 -43.47 91.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.197 -0.668 . . . . 2.07 109.197 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 537' ' ' ALA . 56.1 mtt -55.45 -45.35 76.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.097 -0.956 . . . . 1.05 111.089 176.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.606 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 98.7 t -63.16 -50.87 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.483 -0.78 . . . . 1.08 111.007 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.5 -36.35 83.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.77 111.548 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 32.2 m -72.94 -16.92 61.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.428 -0.351 . . . . 1.71 111.527 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 99.22 14.4 36.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.548 -0.834 . . . . 0.54 112.971 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.446 ' HB3' ' CD1' ' A' ' 522' ' ' ILE . 63.9 m-85 -86.88 -46.94 9.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.302 0.572 . . . . 1.08 110.481 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 94.1 t -118.58 146.64 22.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.186 -0.915 . . . . 1.05 110.56 -173.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.725 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 42.4 t -82.78 140.46 32.98 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.253 -1.017 . . . . 1.24 108.253 172.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . 0.442 ' HB2' HG13 ' A' ' 541' ' ' VAL . 40.4 tt0 -63.27 -17.53 62.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.379 . . . . 2.72 111.502 -172.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.17 -13.26 82.22 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.725 -0.75 . . . . 0.32 112.381 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -106.06 12.58 30.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.718 -0.475 . . . . 1.23 109.718 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -53.82 -49.75 67.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.242 -0.89 . . . . 0.3 111.637 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -63.93 -39.74 94.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.687 -0.233 . . . . 3.4 111.156 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 26.5 m -60.61 -45.25 94.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.037 0.446 . . . . 1.07 110.944 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.561 ' SD ' HD22 ' A' ' 504' ' ' LEU . 22.8 mmt -69.93 -44.94 68.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.863 -0.608 . . . . 1.01 110.664 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.61 78.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.589 -0.732 . . . . 1.04 110.375 177.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -67.45 -36.99 82.27 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.677 -0.692 . . . . 2.3 110.605 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.569 ' HB1' ' CG2' ' A' ' 485' ' ' VAL . . . -63.24 -46.44 86.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.44 0.638 . . . . 1.0 110.321 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.469 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 76.9 mt -61.01 -50.09 82.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.082 -0.963 . . . . 1.05 110.371 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -64.86 -29.61 70.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.544 . . . . 2.69 110.381 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 557' ' ' ALA . 21.1 t70 -59.63 -59.0 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 1.03 110.486 176.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 561' ' ' ARG . 18.3 tpt180 -64.34 -43.74 93.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.666 -0.243 . . . . 2.1 111.343 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 558' ' ' ILE . 84.8 t -60.48 -33.45 54.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.334 -0.394 . . . . 1.05 111.352 -177.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 27.2 t -57.33 -55.49 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.125 -0.324 . . . . 1.44 110.125 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 8.0 mp -53.47 -45.09 69.42 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 121.059 0.457 . . . . 2.3 111.564 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.16 -51.21 75.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.626 -0.716 . . . . 1.1 111.174 -178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.154 -0.475 . . . . 1.39 110.992 178.797 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.086 0 N-CA-C 112.745 -0.142 . . . . 1.18 112.745 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -154.8 165.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 122.947 0.499 . . . . 1.14 110.475 -178.673 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.526 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 16.2 tpp180 -169.47 138.02 1.9 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.608 -0.723 . . . . 3.43 109.544 176.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.526 ' H ' ' HD3' ' A' ' 486' ' ' ARG . 44.4 t -107.77 139.96 27.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-O 121.07 0.462 . . . . 1.05 111.47 -176.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -124.67 155.04 39.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.539 -0.755 . . . . 2.01 110.39 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.575 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 76.5 mt -79.14 127.41 31.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.69 . . . . 1.12 110.03 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.507 ' HB3' ' CD1' ' A' ' 503' ' ' TRP . . . -72.42 -22.98 61.02 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.838 -0.801 . . . . 1.04 108.838 172.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 15.3 pt-20 -140.66 139.53 34.82 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.164 -1.38 . . . . 2.02 108.064 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -72.71 130.5 40.66 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.221 0.534 . . . . 2.36 111.46 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 6.1 t0 . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.608 -0.724 . . . . 1.37 111.071 177.159 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 CA--C 1.505 -0.768 0 CA-C-O 121.635 0.731 . . . . 1.29 109.157 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -108.98 120.15 41.69 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.902 -1.044 . . . . 1.16 110.146 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.0 pt -120.27 176.79 3.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.441 -0.8 . . . . 1.11 111.675 -171.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 490' ' ' ALA . 14.1 tppt? -119.36 116.72 26.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.121 -0.945 . . . . 2.28 109.455 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.518 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 36.2 mt -117.12 153.17 33.25 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.459 -0.337 . . . . 1.3 110.823 -178.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.689 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.4 m95 -119.18 123.34 44.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.676 -0.49 . . . . 0.39 109.676 169.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.569 HD22 ' SD ' ' A' ' 554' ' ' MET . 53.3 tp -77.97 102.64 7.47 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.03 -0.532 . . . . 1.13 109.923 175.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -87.84 126.32 34.96 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.955 -0.566 . . . . 3.84 110.237 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 25.5 mm -90.49 115.51 29.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.083 -0.508 . . . . 1.23 109.808 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -88.84 -50.59 6.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.823 -0.626 . . . . 1.52 111.608 -173.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -135.03 101.15 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.111 -0.495 . . . . 0.71 109.823 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' A' ' 516' ' ' TYR . 2.1 pp -75.29 -11.26 14.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 1.34 111.919 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -80.56 -9.32 59.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.465 0.65 . . . . 3.57 110.109 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -89.96 -15.33 32.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.408 -0.815 . . . . 3.59 109.2 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 32.1 mt -100.26 166.03 11.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.391 -0.822 . . . . 1.15 111.103 -174.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -114.93 48.91 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.968 0.413 . . . . 3.74 110.796 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.71 -169.37 23.89 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.828 -0.701 . . . . 1.11 111.855 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -97.9 110.16 22.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.07 0.462 . . . . 3.9 110.294 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.821 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 34.1 m-85 -138.54 167.28 22.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.685 -0.689 . . . . 1.14 109.566 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 519' ' ' ASN . 53.0 mtmt -111.91 143.79 42.3 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.369 -0.604 . . . . 2.47 109.369 173.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -78.68 36.6 0.27 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.244 0.545 . . . . 2.29 111.656 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 517' ' ' LYS . 67.0 t30 -167.18 28.25 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.199 -0.91 . . . . 3.24 108.653 176.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.61 146.83 25.56 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.222 -0.899 . . . . 1.52 109.576 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.559 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -141.87 121.8 13.63 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.341 0.591 . . . . 1.12 110.336 177.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.515 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 87.0 mt -103.19 106.24 19.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 114.989 -1.005 . . . . 1.11 110.376 -177.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.689 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 19.3 tt0 -72.39 129.28 38.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.881 -0.599 . . . . 0.6 110.539 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . 0.416 ' CD2' HG12 ' A' ' 536' ' ' VAL . 45.4 p90 -147.41 151.24 36.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 0.27 110.082 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 7.1 m -92.29 144.26 25.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.42 -0.585 . . . . 1.71 109.42 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -135.38 115.22 12.98 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.029 -0.668 . . . . 0.27 111.067 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.5 t70 -84.25 110.68 18.74 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.582 -0.896 . . . . 0.58 108.582 171.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.94 -1.46 7.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.896 -0.593 . . . . 1.09 112.372 -173.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -113.11 -23.73 9.84 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.277 -0.169 . . . . 2.18 111.288 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -114.44 -49.92 2.81 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.752 0.649 . . . . 4.71 112.752 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.72 151.9 46.53 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.529 0.68 . . . . 0.61 112.546 -170.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 97.8 t -121.78 126.84 26.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 114.832 -1.076 . . . . 1.1 109.181 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.423 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 64.2 Cg_exo -53.87 -41.21 76.61 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.544 2.829 . . . . 0.29 113.855 -176.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.84 -26.16 61.37 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.779 -0.368 . . . . 2.34 111.297 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.92 -42.12 67.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.322 0.582 . . . . 1.09 109.585 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.416 HG12 ' CD2' ' A' ' 524' ' ' PHE . 89.6 t -64.49 -41.71 93.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.568 -0.742 . . . . 1.08 110.532 176.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.48 -19.69 66.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.714 -0.395 . . . . 1.01 110.612 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.551 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 0.0 OUTLIER -73.61 -47.73 38.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.37 -0.377 . . . . 1.08 110.494 175.383 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 536' ' ' VAL . 11.3 pt-20 -66.37 -27.19 67.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.065 0.46 . . . . 2.07 109.884 178.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.401 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.1 mtt -58.16 -44.52 87.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.422 -0.808 . . . . 1.05 110.422 171.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 69.6 t -70.04 -45.66 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.772 -0.649 . . . . 1.08 110.699 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 56.9 mt-10 -59.79 -36.51 76.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.77 111.298 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.8 m -85.18 1.09 49.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.388 -0.369 . . . . 1.71 111.499 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 87.4 -5.61 84.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.764 . . . . 0.54 113.407 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.458 ' HB3' ' CD1' ' A' ' 522' ' ' ILE . 52.2 m-85 -63.36 -56.1 19.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.035 0.445 . . . . 1.08 110.8 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 93.4 t -107.06 144.42 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.556 -0.747 . . . . 1.05 110.789 -176.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.821 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 35.5 t -76.57 143.85 40.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.495 -0.775 . . . . 1.24 109.287 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -6.81 8.22 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.542 0.571 . . . . 2.72 112.542 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -91.07 -11.41 61.44 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.013 -0.613 . . . . 0.32 112.702 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 554' ' ' MET . 53.1 m-20 -115.52 19.18 15.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.883 0.373 . . . . 1.23 110.818 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -54.63 -54.08 46.3 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.834 -0.621 . . . . 0.3 111.915 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -73.19 -29.75 63.05 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.093 -0.243 . . . . 3.4 111.281 -175.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 99.2 m -61.71 -45.08 95.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.377 -0.374 . . . . 1.07 110.658 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.569 ' SD ' HD22 ' A' ' 504' ' ' LEU . 24.5 mmt -68.14 -43.34 78.52 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.181 0.515 . . . . 1.01 110.477 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.03 -35.2 77.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.381 -0.827 . . . . 1.04 111.182 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . 0.544 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 2.6 tmtp? -65.39 -41.49 93.63 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.998 -0.741 . . . . 2.3 108.998 178.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.49 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -58.7 -43.19 89.97 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.243 0.544 . . . . 1.0 110.251 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 554' ' ' MET . 62.9 mt -63.77 -50.72 76.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.219 -0.901 . . . . 1.05 109.988 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -61.07 -40.01 92.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.724 . . . . 2.69 110.843 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.57 -43.95 95.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 1.03 110.301 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -66.41 -48.5 69.86 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.131 -0.486 . . . . 2.1 110.484 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 558' ' ' ILE . 91.8 t -59.78 -37.65 72.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 1.05 111.248 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 23.0 t -59.67 -50.26 74.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.022 -0.362 . . . . 1.44 110.022 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.05 -43.08 99.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 2.3 110.599 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.47 -54.48 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.574 -0.739 . . . . 1.1 111.096 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 1.39 111.579 -178.023 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.404 ' C ' ' HB3' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.517 0.213 0 N-CA-C 113.564 0.185 . . . . 1.18 113.564 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.611 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -154.18 163.48 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.633 0.254 . . . . 1.14 110.67 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.432 ' HD3' ' N ' ' A' ' 487' ' ' VAL . 16.6 tpp85 -166.51 125.38 1.48 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 3.43 110.676 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 57.6 t -87.64 143.21 11.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.285 -0.87 . . . . 1.05 110.567 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -120.28 160.49 22.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.991 0.424 . . . . 2.01 110.7 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 502' ' ' LEU . 74.9 mt -83.77 131.1 34.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.437 -0.801 . . . . 1.12 110.082 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.625 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -74.66 -22.86 58.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.952 0.882 . . . . 1.04 109.087 172.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -122.44 -171.23 2.23 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.06 -1.427 . . . . 2.02 108.629 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -110.13 133.37 53.28 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.926 -0.398 . . . . 2.36 109.926 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 116.37 -0.377 . . . . 1.37 110.544 178.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 22.2 mm . . . . . 0 N--CA 1.444 -0.762 0 CA-C-O 120.798 0.332 . . . . 1.29 110.437 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -131.07 123.14 28.02 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.215 0.531 . . . . 1.16 110.808 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 15.6 pt -125.01 179.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.725 -0.671 . . . . 1.11 111.559 -172.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -120.78 116.31 24.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.615 -0.72 . . . . 2.28 109.793 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.499 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 58.7 mt -112.88 159.47 19.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.887 -0.597 . . . . 1.3 111.285 -176.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.74 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.2 m95 -126.45 120.06 28.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.79 -0.448 . . . . 0.39 109.79 169.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 46.0 tp -75.3 99.74 4.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.271 -0.422 . . . . 1.13 110.357 177.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 520' ' ' GLU . 48.7 mtp180 -93.51 126.92 38.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.841 -0.618 . . . . 3.84 110.852 177.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.493 ' HA ' HG12 ' A' ' 485' ' ' VAL . 20.2 mm -79.65 119.17 28.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.662 -0.496 . . . . 1.23 109.662 177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.434 ' H ' ' HA ' ' A' ' 485' ' ' VAL . 18.2 tp10 -81.59 -48.69 11.44 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.542 -0.754 . . . . 1.52 110.238 -176.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.488 ' OD1' ' HG3' ' A' ' 510' ' ' LYS . 11.8 t70 -130.96 108.49 9.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.21 -0.45 . . . . 0.71 110.057 175.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.6 -20.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.048 0.758 . . . . 1.34 113.048 -174.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . 0.488 ' HG3' ' OD1' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -91.76 -15.45 28.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 3.57 111.368 -174.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -70.76 -21.9 62.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.293 0.568 . . . . 3.59 110.094 170.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . 0.444 ' CD2' HG23 ' A' ' 553' ' ' THR . 22.4 mt -85.43 160.62 19.7 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.249 -0.887 . . . . 1.15 109.761 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -92.8 -15.33 26.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.365 0.602 . . . . 3.74 109.466 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -87.54 -179.57 47.94 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 114.882 -1.053 . . . . 1.11 112.055 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -108.94 109.75 20.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.833 0.349 . . . . 3.9 110.245 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.587 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 87.9 m-85 -132.48 156.71 46.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.894 0.378 . . . . 1.14 110.54 -177.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' A' ' 519' ' ' ASN . 51.8 mtmt -91.76 149.73 21.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.54 -0.754 . . . . 2.47 109.803 176.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -81.83 34.0 0.39 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.457 0.646 . . . . 2.29 111.975 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 517' ' ' LYS . 66.7 t30 -161.07 24.29 0.13 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.05 -0.977 . . . . 3.24 108.775 174.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 7.1 tp10 -82.46 130.29 35.08 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.121 -0.945 . . . . 1.52 110.017 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.546 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -136.52 118.43 15.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.769 -0.65 . . . . 1.12 110.711 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.513 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 86.4 mt -101.1 107.21 20.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.247 -0.888 . . . . 1.11 110.807 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.74 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 29.6 tt0 -71.3 132.31 44.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.004 0.431 . . . . 0.6 111.055 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -151.69 139.92 20.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.734 -0.666 . . . . 0.27 109.651 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 10.0 p -83.48 143.62 30.11 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.57 -0.53 . . . . 1.71 109.57 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -134.22 117.61 16.68 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.007 -0.677 . . . . 0.27 111.314 -175.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.58 113.51 21.87 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.378 -0.971 . . . . 0.58 108.378 170.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 58.4 mt -67.92 -10.66 55.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.932 -0.576 . . . . 1.09 111.879 -172.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -103.42 -46.73 4.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.9 0.381 . . . . 2.18 110.6 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -86.26 -54.08 4.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.581 0.586 . . . . 4.71 112.581 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -67.19 147.32 53.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.446 0.641 . . . . 0.61 112.052 -171.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 99.1 t -122.72 131.63 24.35 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.032 -0.985 . . . . 1.1 109.196 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -51.35 -37.47 60.76 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.855 3.037 . . . . 0.29 113.685 -176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.14 -33.54 61.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.583 0.23 . . . . 2.34 111.286 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -66.09 -45.09 82.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.053 0.454 . . . . 1.09 110.058 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.39 -42.06 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.56 -0.746 . . . . 1.08 110.937 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.614 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.66 -24.33 67.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 1.01 110.989 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.429 ' HG2' ' NE2' ' A' ' 551' ' ' HIS . 8.2 mm100 -70.14 -43.88 70.03 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.844 0.354 . . . . 1.08 110.192 174.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -59.47 -39.74 84.66 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.497 0.665 . . . . 2.07 109.491 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 55.1 mtt -58.26 -41.93 85.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.851 -1.068 . . . . 1.05 111.393 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 537' ' ' ALA . 92.9 t -67.91 -42.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.891 -0.595 . . . . 1.08 111.064 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.78 -45.24 93.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.77 111.538 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 41.4 t -67.75 -22.23 65.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 1.71 111.112 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 106.9 -3.5 35.89 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.629 -0.796 . . . . 0.54 112.464 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -64.63 -61.85 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.458 . . . . 1.08 110.957 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.603 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 94.3 t -103.0 142.38 17.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.937 -0.574 . . . . 1.05 111.369 -174.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.66 138.87 37.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.16 -0.927 . . . . 1.24 108.855 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . 0.494 ' CD ' ' H ' ' A' ' 548' ' ' GLU . 0.3 OUTLIER -67.65 -7.1 23.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.098 -0.501 . . . . 2.72 111.342 -177.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.92 -12.45 82.65 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.939 -0.648 . . . . 0.32 111.84 174.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -129.38 28.71 5.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.004 0.43 . . . . 1.23 110.889 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . 0.429 ' NE2' ' HG2' ' A' ' 538' ' ' GLN . 21.1 t-80 -58.39 -47.28 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.3 109.935 176.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -65.57 -35.05 79.71 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.528 -0.76 . . . . 3.4 110.939 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' THR . . . . . 0.444 HG23 ' CD2' ' A' ' 512' ' ' LEU . 8.8 m -61.77 -49.22 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 1.07 110.854 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.573 ' O ' HG13 ' A' ' 558' ' ' ILE . 23.1 mmt -67.92 -42.4 81.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.858 -0.61 . . . . 1.01 110.756 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.4 74.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.844 -0.616 . . . . 1.04 110.307 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -66.96 -35.8 80.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.887 -0.597 . . . . 2.3 110.339 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.611 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -66.76 -43.96 82.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.309 0.576 . . . . 1.0 110.221 175.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 562' ' ' VAL . 58.2 mt -63.0 -53.01 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.921 -1.036 . . . . 1.05 109.897 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 5.4 tmtt? -57.96 -44.93 87.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.484 -0.78 . . . . 2.69 109.856 -178.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -51.82 -58.1 7.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.609 -0.723 . . . . 1.03 111.157 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 561' ' ' ARG . 10.5 tpp180 -60.94 -47.39 86.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.574 -0.285 . . . . 2.1 111.292 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 558' ' ' ILE . 92.0 t -56.78 -32.29 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 1.05 111.254 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 60.6 m -60.24 -52.96 63.08 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 122.062 0.145 . . . . 1.44 110.632 175.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 7.9 mp -53.19 -48.43 68.06 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 120.841 0.353 . . . . 2.3 111.083 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 97.9 mt -57.49 -53.03 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.568 -0.742 . . . . 1.1 111.628 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.479 -0.328 . . . . 1.39 111.04 179.833 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.203 0 N-CA-C 113.693 0.237 . . . . 1.18 113.693 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.532 ' CG2' ' HB1' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -154.75 161.21 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.204 0.526 . . . . 1.14 111.04 178.824 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.477 ' HD2' ' H ' ' A' ' 487' ' ' VAL . 12.1 tpt180 -161.56 133.86 5.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.023 -0.99 . . . . 3.43 109.856 175.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.477 ' H ' ' HD2' ' A' ' 486' ' ' ARG . 61.6 t -105.55 125.19 60.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.048 -0.524 . . . . 1.05 110.927 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.407 ' HG3' ' NH1' ' A' ' 505' ' ' ARG . 11.7 mm-40 -115.58 160.93 19.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.237 -0.892 . . . . 2.01 110.774 -176.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . . . . . . . . . 22.8 mt -87.75 131.29 34.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.046 -0.524 . . . . 1.12 111.213 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.546 ' HB1' ' CD1' ' A' ' 503' ' ' TRP . . . -88.04 -4.53 58.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.306 0.574 . . . . 1.04 110.324 177.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -146.24 -176.31 5.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.455 -0.793 . . . . 2.02 109.56 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.88 121.38 27.64 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.85 0.357 . . . . 2.36 110.617 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 121.499 0.666 . . . . 1.37 110.401 177.575 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 CA--C 1.513 -0.444 0 CA-C-O 121.465 0.65 . . . . 1.29 110.244 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -105.75 127.38 53.05 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.389 -0.823 . . . . 1.16 110.703 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.426 ' CD1' HD12 ' A' ' 565' ' ' ILE . 7.9 pt -123.71 179.02 2.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.479 -0.782 . . . . 1.11 110.991 -175.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . 0.42 ' HE2' ' HG2' ' A' ' 523' ' ' GLU . 18.7 tptm -127.01 123.4 36.98 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.853 -0.795 . . . . 2.28 108.853 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.444 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 26.8 mt -122.94 167.67 13.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.472 -0.331 . . . . 1.3 111.428 -174.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.677 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.6 m95 -128.97 124.62 35.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.492 . . . . 0.39 109.813 169.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.59 HD22 ' SD ' ' A' ' 554' ' ' MET . 38.3 tp -82.64 98.0 8.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.893 -0.41 . . . . 1.13 109.893 176.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.415 ' HG2' ' CB ' ' A' ' 521' ' ' ALA . 92.7 mtt180 -89.97 128.13 36.18 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.874 -0.603 . . . . 3.84 110.164 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.8 mm -85.69 114.41 25.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.968 -0.382 . . . . 1.23 109.968 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.404 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.7 mm-40 -80.78 -30.48 36.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.19 -0.459 . . . . 1.52 110.941 -178.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -147.25 103.66 3.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.958 0.409 . . . . 0.71 110.098 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.8 -15.0 15.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 1.34 111.3 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -79.54 -27.81 41.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 3.57 110.694 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -66.91 -25.56 66.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 3.59 111.154 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 23.0 mt -92.57 154.2 18.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.699 -0.682 . . . . 1.15 111.477 -171.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -101.16 47.53 0.91 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 3.74 110.199 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -145.56 -161.11 8.96 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.846 -0.692 . . . . 1.11 112.184 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -114.07 97.32 6.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.695 0.283 . . . . 3.9 110.516 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.465 ' HH ' ' HA ' ' A' ' 546' ' ' VAL . 41.5 m-85 -133.14 142.32 48.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.851 0.358 . . . . 1.14 110.168 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.578 ' HZ2' ' HB3' ' A' ' 517' ' ' LYS . 1.6 ttpm? -89.26 148.75 23.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.865 -0.607 . . . . 2.47 110.476 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.22 37.71 0.07 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.188 0.518 . . . . 2.29 111.753 -178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' A' ' 517' ' ' LYS . 25.0 t-20 177.15 60.65 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.615 -1.254 . . . . 3.24 107.615 -178.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . 0.435 ' OE1' ' HB3' ' A' ' 517' ' ' LYS . 40.9 tt0 -139.71 132.12 28.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.624 -0.716 . . . . 1.52 110.732 -172.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -137.33 136.34 37.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.703 -0.681 . . . . 1.12 110.215 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.515 HD13 ' HB3' ' A' ' 545' ' ' TYR . 94.5 mt -105.48 104.0 16.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.448 -0.796 . . . . 1.11 111.033 -175.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.677 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.9 tt0 -69.53 125.47 26.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.203 -0.908 . . . . 0.6 110.963 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -149.5 142.33 24.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.27 110.067 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 13.4 p -84.57 150.12 25.42 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.077 -0.342 . . . . 1.71 110.077 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -137.77 122.58 18.8 Favored 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 120.292 -0.563 . . . . 0.27 110.437 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -94.13 116.89 29.36 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.73 -0.841 . . . . 0.58 108.73 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.12 -14.25 62.83 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 112.809 0.67 . . . . 1.09 112.809 -170.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -112.67 -31.64 6.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.293 -0.563 . . . . 2.18 111.825 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -86.57 -47.98 8.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.824 0.345 . . . . 4.71 111.765 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -86.26 151.92 23.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.41 0.624 . . . . 0.61 112.187 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 536' ' ' VAL . 76.6 t -124.98 130.72 24.11 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.054 -0.975 . . . . 1.1 109.842 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 86.9 Cg_exo -48.21 -50.88 11.09 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.712 2.274 . . . . 0.29 113.332 -172.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -65.66 -37.27 86.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.32 . . . . 2.34 111.551 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 14.9 t70 -63.18 -39.74 95.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.504 0.668 . . . . 1.09 109.873 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 532' ' ' VAL . 94.3 t -71.77 -37.53 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.068 -0.969 . . . . 1.08 111.289 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.58 ' O ' HG22 ' A' ' 541' ' ' VAL . . . -65.72 -22.97 66.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.815 -0.354 . . . . 1.01 110.262 176.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 11.5 mm100 -70.76 -44.35 66.93 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.671 -0.492 . . . . 1.08 109.671 172.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . 0.458 ' HG3' ' HA ' ' A' ' 536' ' ' VAL . 20.2 mt-10 -57.45 -41.67 80.98 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.028 -0.73 . . . . 2.07 109.028 175.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 536' ' ' VAL . 50.4 mtt -55.49 -44.54 76.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.155 -0.929 . . . . 1.05 111.196 177.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 537' ' ' ALA . 52.1 t -66.76 -46.02 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.317 -0.402 . . . . 1.08 110.479 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 45.5 mt-10 -65.22 -36.2 83.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.529 . . . . 0.77 111.762 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.8 m -74.98 -12.1 60.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 1.71 111.412 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 91.26 23.93 28.06 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.69 -0.766 . . . . 0.54 112.506 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.515 ' HB3' HD13 ' A' ' 522' ' ' ILE . 39.0 m-85 -93.12 -55.18 3.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.178 0.513 . . . . 1.08 110.815 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 98.5 t -112.53 146.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.554 -0.748 . . . . 1.05 111.219 -172.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 44.4 t -78.6 136.99 37.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.035 -0.728 . . . . 1.24 109.035 173.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.6 -22.09 55.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.941 -0.572 . . . . 2.72 111.703 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -68.84 -25.86 74.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.065 -0.588 . . . . 0.32 112.495 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -114.43 30.04 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.118 0.485 . . . . 1.23 111.107 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -56.82 -46.35 81.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.62 -0.718 . . . . 0.3 110.453 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -67.28 -35.43 79.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 3.4 110.813 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 11.3 m -59.44 -50.36 74.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.634 -0.712 . . . . 1.07 110.769 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.59 ' SD ' HD22 ' A' ' 504' ' ' LEU . 23.4 mmt -68.82 -45.21 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.864 -0.607 . . . . 1.01 110.675 -177.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.44 -31.6 71.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.533 -0.758 . . . . 1.04 111.024 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 5.1 tmtm? -64.52 -45.65 86.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.023 -0.732 . . . . 2.3 109.023 177.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.532 ' HB1' ' CG2' ' A' ' 485' ' ' VAL . . . -60.6 -43.66 97.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.489 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 554' ' ' MET . 54.8 mt -62.85 -50.68 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.416 -0.811 . . . . 1.05 109.659 178.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 2.9 tmtp? -61.5 -48.03 82.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.535 -0.757 . . . . 2.69 110.403 -176.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.09 -45.6 75.45 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.364 -0.38 . . . . 1.03 111.1 -177.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.45 ' HA ' ' HD3' ' A' ' 561' ' ' ARG . 0.4 OUTLIER -70.21 -44.7 68.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.083 -0.508 . . . . 2.1 110.948 179.372 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' ' 558' ' ' ILE . 76.2 t -60.81 -36.32 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 1.05 111.073 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.0 t -59.81 -43.1 94.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.42 . . . . 1.44 110.159 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 71.6 mt -66.74 -44.13 82.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.542 0.687 . . . . 2.3 110.351 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.426 HD12 ' CD1' ' A' ' 500' ' ' ILE . 86.4 mt -60.23 -49.37 84.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.006 -0.997 . . . . 1.1 111.401 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.873 -0.603 . . . . 1.39 111.552 179.883 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 112.347 -0.301 . . . . 1.18 112.347 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 1.6 m -147.58 158.11 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 122.634 0.374 . . . . 1.14 110.176 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -173.47 141.06 0.86 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.432 -0.804 . . . . 3.43 109.052 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.611 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 64.6 t -109.34 140.64 27.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 C-N-CA 120.822 -0.351 . . . . 1.05 110.675 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.475 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 28.6 mt-10 -122.87 164.77 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 2.01 110.583 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.47 ' HG ' ' NH2' ' A' ' 561' ' ' ARG . 92.3 mt -86.79 138.99 31.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.764 -0.653 . . . . 1.12 110.737 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -89.12 -12.99 39.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.785 0.802 . . . . 1.04 109.506 174.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.89 -170.12 2.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.705 -1.134 . . . . 2.02 109.424 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -110.73 96.24 6.05 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.99 0.424 . . . . 2.36 110.454 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.883 -0.599 . . . . 1.37 110.904 179.702 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 108.809 -0.811 . . . . 1.29 108.809 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -128.94 122.85 31.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.087 -0.96 . . . . 1.16 110.214 178.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 12.6 pt -112.75 177.39 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.739 -0.664 . . . . 1.11 110.954 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -127.48 112.96 15.54 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.992 -0.744 . . . . 2.28 108.992 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.611 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 42.5 mt -115.79 162.54 17.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.342 -0.39 . . . . 1.3 111.542 -173.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.635 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.3 m95 -125.05 121.51 34.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.495 -0.557 . . . . 0.39 109.495 168.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 23.7 tp -74.27 107.89 6.72 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.735 -0.469 . . . . 1.13 109.735 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -98.45 130.11 45.06 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.161 -0.472 . . . . 3.84 110.849 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 509' ' ' ILE . 26.0 mm -93.31 112.15 25.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.095 -0.502 . . . . 1.23 109.837 177.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -81.97 -53.49 6.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.034 -0.53 . . . . 1.52 110.869 -177.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -128.62 103.77 7.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.954 -0.566 . . . . 0.71 109.71 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 506' ' ' ILE . 2.2 pp -74.72 -18.85 16.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 1.34 111.488 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.12 -25.14 59.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.257 -0.429 . . . . 3.57 110.79 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -19.15 61.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.184 -0.462 . . . . 3.59 110.679 176.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 29.2 mt -99.94 149.29 23.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.97 -0.559 . . . . 1.15 110.676 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -97.54 75.85 2.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.473 -0.566 . . . . 3.74 109.473 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -169.56 -151.44 7.33 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.798 -0.715 . . . . 1.11 111.841 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -132.0 103.41 6.27 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.597 -0.52 . . . . 3.9 109.597 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -138.32 155.46 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.007 -0.542 . . . . 1.14 110.512 -173.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 519' ' ' ASN . 87.2 mttt -89.37 147.29 24.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.349 -0.611 . . . . 2.47 109.349 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.64 26.12 0.32 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.892 0.853 . . . . 2.29 111.25 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . 0.487 ' H ' ' C ' ' A' ' 517' ' ' LYS . 28.5 p-10 -160.43 24.06 0.16 Allowed 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.464 -1.244 . . . . 3.24 108.738 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 33.9 tt0 -81.31 133.44 35.43 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.275 -0.875 . . . . 1.52 110.133 -174.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -133.44 118.85 18.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.794 -0.639 . . . . 1.12 110.506 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.497 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 95.5 mt -102.52 105.1 17.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.208 -0.905 . . . . 1.11 110.554 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.635 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.1 tt0 -69.08 129.7 40.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.68 -0.691 . . . . 0.6 111.331 -178.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -153.06 140.9 20.12 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.582 -0.525 . . . . 0.27 109.582 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 19.7 m -88.28 145.27 25.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.849 -0.426 . . . . 1.71 109.849 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -131.7 114.83 15.25 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.892 -0.323 . . . . 0.27 110.499 -175.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.0 t70 -81.1 114.42 19.93 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.642 -0.873 . . . . 0.58 108.642 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.98 -18.69 64.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.11 -0.496 . . . . 1.09 111.642 -173.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.48 -40.85 5.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.167 -0.47 . . . . 2.18 111.228 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . 0.577 ' NE ' ' HA ' ' A' ' 530' ' ' ARG . 3.0 mmp_? -93.52 -40.47 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.247 0.832 . . . . 4.71 113.247 -177.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.97 152.82 30.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.357 0.599 . . . . 0.61 111.825 -174.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 83.4 t -125.79 133.71 25.17 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.303 -0.862 . . . . 1.1 109.449 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 44.8 Cg_exo -56.99 -38.54 95.79 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.343 2.696 . . . . 0.29 113.007 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -78.42 -24.04 46.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.134 -0.485 . . . . 2.34 110.932 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.446 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 8.2 t70 -73.18 -44.77 59.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.423 0.63 . . . . 1.09 109.58 178.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.17 -40.87 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.359 -0.837 . . . . 1.08 110.903 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.622 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -64.94 -24.72 67.61 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.868 -0.333 . . . . 1.01 110.895 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 11.7 mm100 -66.45 -45.69 78.94 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.953 0.406 . . . . 1.08 110.02 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -59.83 -41.53 91.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.713 -0.676 . . . . 2.07 109.64 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.503 ' SD ' HD23 ' A' ' 504' ' ' LEU . 53.4 mtt -56.4 -43.18 79.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.177 -0.92 . . . . 1.05 110.968 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.622 HG21 ' O ' ' A' ' 537' ' ' ALA . 95.3 t -68.18 -50.54 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.855 -0.611 . . . . 1.08 110.925 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.01 -36.01 82.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.782 0.325 . . . . 0.77 111.385 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 19.3 t -72.49 -16.34 61.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.198 -0.456 . . . . 1.71 111.133 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 99.59 1.36 56.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.749 . . . . 0.54 112.652 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.451 ' HB3' HD12 ' A' ' 522' ' ' ILE . 41.0 m-85 -73.12 -43.61 61.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.023 0.44 . . . . 1.08 111.034 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 90.1 t -121.23 148.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.895 -0.593 . . . . 1.05 110.764 -175.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 40.8 t -87.8 134.9 33.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.482 -0.932 . . . . 1.24 108.482 173.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . 0.444 ' HB2' HG11 ' A' ' 541' ' ' VAL . 31.4 tt0 -60.62 -20.41 60.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.961 -0.563 . . . . 2.72 111.316 -174.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -65.99 -19.91 68.25 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.051 -0.595 . . . . 0.32 112.069 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.97 27.91 7.46 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.848 0.356 . . . . 1.23 111.39 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -55.15 -49.5 71.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.3 109.98 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -62.71 -37.42 86.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 3.4 111.041 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 19.1 m -60.59 -47.52 85.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 1.07 110.845 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.594 ' O ' HG13 ' A' ' 558' ' ' ILE . 25.0 mmt -70.28 -45.48 66.26 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.917 -0.583 . . . . 1.01 110.757 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.98 75.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.661 -0.7 . . . . 1.04 110.541 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . 0.506 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 6.4 tmtm? -66.23 -44.9 82.47 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.907 -0.775 . . . . 2.3 108.907 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -55.45 -45.74 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.263 0.554 . . . . 1.0 110.296 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 554' ' ' MET . 51.9 mt -62.52 -50.04 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.238 -0.892 . . . . 1.05 110.164 177.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -65.88 -34.7 78.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.635 -0.711 . . . . 2.69 110.73 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -61.42 -48.41 81.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.903 -0.59 . . . . 1.03 110.774 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.648 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.8 tpt180 -67.06 -48.84 67.03 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.279 -0.419 . . . . 2.1 110.326 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 558' ' ' ILE . 96.6 t -57.63 -35.04 48.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.049 -0.523 . . . . 1.05 111.215 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 13.4 t -64.3 -48.13 76.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.758 -0.201 . . . . 1.44 110.81 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -69.95 -32.9 71.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.298 0.57 . . . . 2.3 110.161 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.71 -58.07 8.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.353 -0.839 . . . . 1.1 110.852 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 1.39 111.255 -179.257 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.51 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.445 -0.741 0 N-CA-C 110.472 -1.051 . . . . 1.18 110.472 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.515 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -151.67 162.8 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 114.778 -0.711 . . . . 1.14 110.092 178.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 505' ' ' ARG . 9.0 tpp180 -160.18 141.65 12.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.822 -0.626 . . . . 3.43 110.265 174.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 58.9 t -113.92 134.44 56.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 116.105 -0.498 . . . . 1.05 110.22 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -130.12 161.98 29.85 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.691 -0.686 . . . . 2.01 110.686 -178.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.01 128.58 34.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.065 -0.97 . . . . 1.12 110.732 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 503' ' ' TRP . . . -75.05 -13.97 60.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.487 0.66 . . . . 1.04 110.074 176.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -145.39 -178.25 5.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.032 -0.986 . . . . 2.02 110.013 -172.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -85.29 124.01 31.42 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.953 -0.388 . . . . 2.36 109.953 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 121.428 0.632 . . . . 1.37 111.361 -176.344 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . 0.421 HD12 ' HG3' ' A' ' 529' ' ' GLU . 30.0 mm . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.399 0.619 . . . . 1.29 110.597 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -102.71 118.35 36.64 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.636 -0.711 . . . . 1.16 110.817 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . 0.403 ' CD1' HD13 ' A' ' 565' ' ' ILE . 12.0 pt -114.36 -177.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.28 -0.873 . . . . 1.11 110.871 -175.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -129.02 114.76 16.8 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.909 -0.587 . . . . 2.28 110.035 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.429 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 37.9 mt -113.68 161.71 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 1.3 110.406 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.711 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.3 m95 -123.61 126.51 46.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.797 0.332 . . . . 0.39 110.628 172.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 49.5 tp -83.29 97.6 8.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.003 -0.544 . . . . 1.13 110.397 176.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 486' ' ' ARG . 38.1 mtp180 -80.12 118.31 21.71 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.699 -0.682 . . . . 3.84 110.748 178.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.1 mm -85.75 111.77 21.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.539 -0.541 . . . . 1.23 109.539 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . 0.51 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 11.4 mm-40 -93.55 -43.34 8.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.953 -0.567 . . . . 1.52 112.429 -171.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -143.34 97.48 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.966 0.412 . . . . 0.71 110.522 -176.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.2 pp -74.75 -1.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.4 0.518 . . . . 1.34 112.4 -176.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -77.36 -22.1 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.218 0.533 . . . . 3.57 109.933 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -79.43 -30.8 42.42 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.567 0.698 . . . . 3.59 109.434 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 28.4 mt -85.95 144.47 27.62 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.94 -1.027 . . . . 1.15 110.657 -173.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -101.27 50.4 0.86 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.637 0.732 . . . . 3.74 109.666 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -149.99 176.09 28.8 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.239 -0.892 . . . . 1.11 111.368 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -98.59 76.13 2.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.085 0.469 . . . . 3.9 110.528 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -94.56 179.17 5.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.716 -0.675 . . . . 1.14 110.001 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -109.73 127.78 54.84 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.069 -0.715 . . . . 2.47 109.069 172.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -80.36 37.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.624 0.726 . . . . 2.29 111.068 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -168.67 28.93 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.274 -0.876 . . . . 3.24 110.019 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -123.74 148.57 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.52 111.147 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -128.36 132.58 48.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 1.12 109.958 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.426 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 85.4 mt -104.42 106.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.64 -0.709 . . . . 1.11 111.047 -175.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.711 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.3 tt0 -68.54 125.89 27.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.729 -0.669 . . . . 0.6 110.951 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -140.62 143.78 35.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.434 . . . . 0.27 109.877 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.4 p -89.55 142.48 27.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.408 -0.36 . . . . 1.71 110.295 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . 0.408 ' CD1' HD22 ' A' ' 528' ' ' LEU . 22.9 t80 -129.53 115.99 18.26 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 120.472 -0.491 . . . . 0.27 110.963 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -82.23 107.52 14.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.499 -0.926 . . . . 0.58 108.499 171.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' A' ' 526' ' ' PHE . 84.3 mt -65.03 -10.4 29.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.216 0.821 . . . . 1.09 113.216 -171.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . 0.421 ' HG3' HD12 ' A' ' 498' ' ' ILE . 39.2 mt-10 -109.71 -34.73 6.39 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.767 -0.373 . . . . 2.18 111.747 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 530' ' ' ARG . 1.8 mmp_? -96.46 -40.76 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.51 0.559 . . . . 4.71 112.51 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.53 153.75 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.503 0.668 . . . . 0.61 111.7 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 69.4 t -127.64 137.7 31.28 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 114.959 -1.018 . . . . 1.1 108.738 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -50.1 -48.41 19.87 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.483 2.122 . . . . 0.29 112.219 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.06 -33.05 73.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 2.34 111.681 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 12.6 t70 -69.38 -43.33 73.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.07 0.462 . . . . 1.09 110.019 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 99.6 t -64.17 -39.95 87.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.681 -0.69 . . . . 1.08 110.451 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.606 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.04 -27.22 68.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.375 . . . . 1.01 110.614 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.548 ' HG2' ' NE2' ' A' ' 551' ' ' HIS . 0.0 OUTLIER -68.01 -45.57 73.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 110.057 -0.349 . . . . 1.08 110.057 173.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -55.68 -45.37 77.79 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.865 -0.607 . . . . 2.07 109.524 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.508 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 55.5 mtt -54.68 -44.17 73.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.972 -1.013 . . . . 1.05 111.487 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.641 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.0 t -69.59 -44.01 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.322 -0.399 . . . . 1.08 110.985 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.42 -40.79 73.64 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.673 0.249 . . . . 0.77 111.673 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 39.0 m -74.7 -11.67 60.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.739 0.304 . . . . 1.71 111.465 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 94.97 29.18 9.27 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.581 -0.818 . . . . 0.54 113.62 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.57 -43.51 6.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.259 0.552 . . . . 1.08 110.379 176.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 92.3 t -120.42 147.97 23.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.56 -0.746 . . . . 1.05 111.064 -173.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.404 ' O ' HG13 ' A' ' 546' ' ' VAL . 38.1 t -83.03 144.0 30.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.531 -0.759 . . . . 1.24 109.15 174.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.46 -23.69 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.698 -0.683 . . . . 2.72 111.929 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.86 -20.7 77.68 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.851 -0.69 . . . . 0.32 112.096 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -100.53 7.46 44.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.884 0.373 . . . . 1.23 110.451 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . 0.548 ' NE2' ' HG2' ' A' ' 538' ' ' GLN . 45.3 t-80 -53.32 -47.44 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.3 110.637 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -64.81 -41.06 96.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.675 . . . . 3.4 110.429 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 25.1 m -61.96 -49.04 77.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.01 -0.996 . . . . 1.07 111.485 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.575 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.8 mmt -66.91 -44.79 79.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.923 -0.58 . . . . 1.01 111.164 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -59.54 -34.8 73.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.501 . . . . 1.04 110.712 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -68.84 -35.79 77.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.868 -0.605 . . . . 2.3 110.102 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.515 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -65.31 -43.06 92.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.203 0.525 . . . . 1.0 109.936 174.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 554' ' ' MET . 62.3 mt -64.13 -50.57 76.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.071 -0.968 . . . . 1.05 110.617 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -64.37 -33.5 76.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.02 -0.536 . . . . 2.69 110.851 -176.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . 0.449 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 18.2 t70 -55.96 -42.79 76.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.042 0.449 . . . . 1.03 110.272 178.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -76.25 -49.07 18.06 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.742 -0.663 . . . . 2.1 111.087 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 558' ' ' ILE . 60.2 t -60.67 -35.79 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.714 -0.221 . . . . 1.05 111.445 -175.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 20.6 t -61.12 -43.67 98.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.993 -0.373 . . . . 1.44 109.993 176.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 83.9 mt -66.17 -45.02 82.37 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.893 -0.594 . . . . 2.3 110.42 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . 0.403 HD13 ' CD1' ' A' ' 500' ' ' ILE . 89.0 mt -53.22 -57.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.452 -0.795 . . . . 1.1 111.376 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.951 -0.568 . . . . 1.39 110.669 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.355 0 N-CA-C 113.773 0.269 . . . . 1.18 113.773 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.8 OUTLIER -150.38 155.87 7.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 123.089 0.555 . . . . 1.14 110.273 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' ARG . . . . . 0.469 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 16.4 tpp180 -163.37 134.07 4.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.961 -0.563 . . . . 3.43 110.315 177.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 47.8 t -107.46 132.3 55.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.538 -0.756 . . . . 1.05 111.173 -176.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -114.41 160.21 19.41 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.378 -0.828 . . . . 2.01 110.602 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' LEU . . . . . 0.416 HD22 HD22 ' A' ' 502' ' ' LEU . 58.2 mt -91.56 133.84 35.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.685 -0.689 . . . . 1.12 110.022 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' ALA . . . . . 0.434 ' HB3' ' CD1' ' A' ' 503' ' ' TRP . . . -83.28 -2.96 56.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.404 0.621 . . . . 1.04 110.544 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -156.47 169.55 24.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.455 -0.793 . . . . 2.02 109.984 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.78 117.18 15.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.203 -0.453 . . . . 2.36 110.178 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.097 0.475 . . . . 1.37 111.349 -177.847 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 31.6 mm . . . . . 0 CA--C 1.508 -0.66 0 CA-C-O 121.656 0.741 . . . . 1.29 109.624 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -122.21 123.55 41.76 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.734 -1.121 . . . . 1.16 110.127 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.2 pt -117.99 176.7 2.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.726 -0.67 . . . . 1.11 111.014 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -122.69 115.61 22.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.681 -0.69 . . . . 2.28 109.478 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' LEU . . . . . 0.489 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 44.2 mt -113.85 160.33 18.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.814 -0.63 . . . . 1.3 110.833 -175.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' TRP . . . . . 0.657 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 41.3 m95 -124.56 124.69 42.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.852 -0.425 . . . . 0.39 109.852 168.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 554' ' ' MET . 28.8 tp -85.77 109.83 18.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.372 -0.377 . . . . 1.13 110.429 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -102.2 137.16 40.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.948 0.404 . . . . 3.84 110.392 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 28.4 mm -88.76 121.56 39.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.877 -0.601 . . . . 1.23 109.634 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -86.75 -28.22 23.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.85 -0.614 . . . . 1.52 111.057 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' ASP . . . . . 0.52 ' CG ' ' HZ1' ' A' ' 510' ' ' LYS . 13.2 t0 -148.75 98.14 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.005 -0.543 . . . . 0.71 109.628 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.6 pp -74.74 -24.32 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.86 0.689 . . . . 1.34 112.86 -172.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . 0.52 ' HZ1' ' CG ' ' A' ' 508' ' ' ASP . 0.8 OUTLIER -88.5 -14.24 38.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.722 -0.391 . . . . 3.57 111.77 -173.529 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -81.6 -14.48 56.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.918 0.39 . . . . 3.59 110.586 174.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' LEU . . . . . 0.544 HD21 ' OD2' ' A' ' 550' ' ' ASP . 71.3 mt -94.14 160.68 14.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.324 0.583 . . . . 1.15 111.828 -175.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 547' ' ' CYS . 69.4 mmtt -94.0 87.22 5.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.31 -0.859 . . . . 3.74 109.786 173.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 159.69 166.66 19.04 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.066 -0.588 . . . . 1.11 111.914 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -93.15 106.61 18.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.858 0.361 . . . . 3.9 110.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' TYR . . . . . 0.889 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 52.5 m-85 -128.74 149.28 50.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.229 -0.441 . . . . 1.14 109.934 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -87.9 144.42 26.58 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.437 -0.347 . . . . 2.47 110.225 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.66 32.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.052 0.76 . . . . 2.29 113.052 -167.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 30.5 p30 179.4 25.13 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.095 -0.502 . . . . 3.24 111.792 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.38 154.52 17.22 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.139 0.495 . . . . 1.52 110.609 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -127.62 148.01 50.37 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.323 -0.853 . . . . 1.12 110.297 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' ILE . . . . . 0.531 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 82.1 mt -120.81 103.53 13.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.334 -0.848 . . . . 1.11 110.184 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' GLU . . . . . 0.657 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 12.8 tt0 -70.24 124.83 25.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.339 -0.392 . . . . 0.6 110.697 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' PHE . . . . . 0.417 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 26.5 p90 -144.47 140.1 28.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.221 -0.445 . . . . 0.27 109.821 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 49.5 m -90.47 144.43 25.8 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.764 -0.458 . . . . 1.71 109.764 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -131.38 118.22 19.96 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.31 -0.556 . . . . 0.27 111.1 -175.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -83.27 105.8 14.53 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.87 -1.159 . . . . 0.58 107.87 170.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.26 -18.79 60.13 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.679 -0.691 . . . . 1.09 112.787 -169.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -104.89 -40.48 5.92 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.914 -0.314 . . . . 2.18 111.53 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -86.38 -49.35 7.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.172 0.434 . . . . 4.71 112.172 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -73.11 144.44 46.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.611 0.72 . . . . 0.61 111.692 -173.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 99.3 t -112.43 134.14 21.64 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 114.949 -1.023 . . . . 1.1 108.849 176.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.93 -39.02 49.56 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.09 2.527 . . . . 0.29 113.097 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.89 -34.88 66.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 2.34 110.94 177.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 25.5 t70 -64.56 -44.73 89.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.638 0.733 . . . . 1.09 110.319 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 53.4 t -71.11 -36.56 63.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.075 -0.966 . . . . 1.08 111.109 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.25 -26.5 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 1.01 110.138 175.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 8.3 mm100 -66.47 -47.79 71.95 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.907 -0.405 . . . . 1.08 109.907 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.63 -40.4 68.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.137 0.494 . . . . 2.07 110.027 175.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' MET . . . . . 0.415 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.4 mtt -57.19 -46.4 82.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.305 -0.861 . . . . 1.05 111.324 177.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 537' ' ' ALA . 58.7 t -69.68 -47.84 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.895 -0.593 . . . . 1.08 110.862 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 52.8 mt-10 -60.21 -35.16 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.77 111.864 -177.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.4 m -84.53 -4.8 59.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.647 0.26 . . . . 1.71 111.518 -176.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 89.15 17.63 55.38 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.63 -0.795 . . . . 0.54 113.539 176.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' TYR . . . . . 0.452 ' HB3' HD11 ' A' ' 522' ' ' ILE . 49.4 m-85 -87.52 -53.82 4.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.09 0.471 . . . . 1.08 110.102 177.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 87.2 t -106.59 146.57 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.609 -0.723 . . . . 1.05 110.418 -178.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' CYS . . . . . 0.889 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 42.4 t -84.86 145.27 27.9 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.665 -0.865 . . . . 1.24 108.665 173.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -3.53 3.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.699 0.629 . . . . 2.72 112.699 -172.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -86.36 -11.73 71.53 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.626 -0.797 . . . . 0.32 112.884 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' ASP . . . . . 0.544 ' OD2' HD21 ' A' ' 512' ' ' LEU . 4.6 t70 -123.25 26.87 7.79 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.076 0.465 . . . . 1.23 111.004 -178.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -57.99 -49.96 75.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.3 111.305 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -67.91 -31.72 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.095 0.474 . . . . 3.4 110.824 -176.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' THR . . . . . 0.46 ' HB ' ' CG ' ' A' ' 550' ' ' ASP . 80.5 m -66.67 -49.0 67.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.565 -0.743 . . . . 1.07 111.027 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' MET . . . . . 0.56 ' SD ' HD22 ' A' ' 504' ' ' LEU . 25.5 mmt -63.51 -42.12 98.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.859 -0.609 . . . . 1.01 110.436 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.87 -35.94 73.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.373 -0.831 . . . . 1.04 110.699 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -69.53 -39.94 77.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.103 -0.499 . . . . 2.3 110.452 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -59.46 -47.16 86.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.303 0.573 . . . . 1.0 110.096 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' ILE . . . . . 0.417 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 81.3 mt -59.83 -53.57 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 114.976 -1.011 . . . . 1.05 110.702 176.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.0 -37.05 85.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 2.69 111.499 -177.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.58 -48.57 80.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.071 0.462 . . . . 1.03 109.939 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 561' ' ' ARG . 8.3 tpt180 -66.89 -46.48 74.78 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.576 -0.738 . . . . 2.1 110.463 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.15 -38.61 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.429 -0.35 . . . . 1.05 110.973 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 7.6 t -63.94 -43.54 95.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.232 -0.44 . . . . 1.44 110.269 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.56 -40.4 92.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.326 0.584 . . . . 2.3 110.359 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.07 -52.55 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.224 -0.898 . . . . 1.1 111.097 176.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 116.024 -0.534 . . . . 1.39 111.319 179.807 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.879 -0.489 . . . . 9.82 111.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -84.26 102.52 12.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 7.34 110.703 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 50.6 ttm -83.52 -34.45 25.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 11.23 110.238 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 7.3 p-10 -80.55 135.2 53.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.878 -0.601 . . . . 7.18 110.139 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 33.1 Cg_exo -63.07 57.68 0.16 Allowed 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.953 3.102 . . . . 7.93 113.778 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -94.93 -62.61 1.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.564 -0.532 . . . . 8.01 109.564 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 51.51 66.43 1.19 Allowed 'General case' 0 C--O 1.232 0.167 0 O-C-N 123.889 0.743 . . . . 6.03 110.532 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.73 -26.67 61.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 5.92 110.81 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 3.7 m -70.12 120.15 15.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.699 -0.482 . . . . 1.91 109.699 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.484 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -82.75 25.47 4.58 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.66 -0.781 . . . . 1.18 112.834 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.501 ' CG2' ' HB1' ' A' ' 557' ' ' ALA . 0.5 OUTLIER -150.57 154.08 9.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 122.832 0.453 . . . . 1.14 110.26 178.464 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -159.01 135.19 9.03 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.542 -0.754 . . . . 3.43 109.804 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 63.6 t -112.31 131.02 64.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.3 0.571 . . . . 1.05 111.004 -177.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.43 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 79.2 mm-40 -122.18 163.33 19.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.121 -0.945 . . . . 2.01 110.059 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.441 HD22 ' CD2' ' A' ' 502' ' ' LEU . 81.1 mt -83.51 140.56 32.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.734 -0.666 . . . . 1.12 110.158 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -75.57 -17.96 59.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.715 0.769 . . . . 1.04 109.923 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -163.95 1.43 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.603 -1.181 . . . . 2.02 108.976 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -115.22 92.84 4.06 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.652 -0.419 . . . . 2.36 110.805 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . 0.416 ' H ' HD13 ' A' ' 489' ' ' LEU . 24.4 t70 -63.8 125.65 25.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.763 -0.653 . . . . 1.37 111.31 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -153.21 14.35 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.886 -0.597 . . . . 3.38 110.527 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -117.73 -125.4 3.56 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.295 -0.955 . . . . 2.45 112.564 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -141.15 7.79 2.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.577 -0.311 . . . . 3.35 110.241 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -49.81 123.82 8.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.567 -0.742 . . . . 2.25 111.404 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 31.4 mm -75.56 -30.18 21.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.72 -0.673 . . . . 1.29 109.769 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -115.47 123.86 49.65 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.646 -0.706 . . . . 1.16 110.725 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.0 pt -117.56 -177.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.41 -0.813 . . . . 1.11 110.383 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 24.3 ttmm -130.84 117.66 19.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.026 0.441 . . . . 2.28 110.102 176.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.477 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 40.3 mt -113.08 156.46 23.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.641 -0.709 . . . . 1.3 110.769 -175.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.632 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.0 m95 -119.92 119.3 33.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.851 -0.426 . . . . 0.39 109.851 169.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.504 HD21 ' SD ' ' A' ' 554' ' ' MET . 45.5 tp -76.18 100.18 4.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.005 -0.543 . . . . 1.13 109.753 175.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -88.36 125.67 34.82 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.705 -0.68 . . . . 3.84 110.341 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.44 HG23 HG21 ' A' ' 509' ' ' ILE . 26.2 mm -86.12 113.47 24.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.329 -0.396 . . . . 1.23 110.01 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.484 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.8 mt-10 -79.05 -46.09 18.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.134 -0.485 . . . . 1.52 111.79 -176.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -144.31 105.97 4.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.936 0.398 . . . . 0.71 110.224 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.44 HG21 HG23 ' A' ' 506' ' ' ILE . 2.4 pp -75.19 -11.41 14.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.067 -0.515 . . . . 1.34 112.006 -176.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -79.58 -20.11 47.74 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.251 0.548 . . . . 3.57 110.293 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -78.91 -14.16 59.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.741 -0.663 . . . . 3.59 110.459 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 33.4 mt -99.52 173.18 6.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.514 -0.766 . . . . 1.15 110.509 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -131.58 64.48 1.59 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.272 0.558 . . . . 3.74 110.488 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -169.25 -154.79 9.34 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.675 -0.774 . . . . 1.11 112.133 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 515' ' ' LYS . 3.8 mppt? -102.77 102.52 12.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.938 -0.393 . . . . 3.9 109.938 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -132.6 176.39 8.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.019 -0.537 . . . . 1.14 110.0 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.409 ' C ' ' H ' ' A' ' 519' ' ' ASN . 55.7 mtpt -135.98 139.12 42.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.747 -0.464 . . . . 2.47 109.747 179.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.28 37.02 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.925 0.869 . . . . 2.29 110.582 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.409 ' H ' ' C ' ' A' ' 517' ' ' LYS . 28.5 p30 -163.95 36.01 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.101 -0.954 . . . . 3.24 110.04 -178.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -128.15 151.73 48.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.754 -0.657 . . . . 1.52 110.938 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -146.31 130.08 17.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.475 -0.784 . . . . 1.12 109.518 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.445 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 78.1 mt -101.78 105.63 18.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.548 -0.751 . . . . 1.11 110.987 -175.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.632 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 13.1 tt0 -71.4 130.01 40.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.953 -0.567 . . . . 0.6 110.489 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -148.12 140.19 24.09 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.672 -0.492 . . . . 0.27 109.672 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 36.1 m -87.52 140.91 29.05 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.684 -0.487 . . . . 1.71 109.684 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -127.85 114.7 17.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 120.617 -0.433 . . . . 0.27 110.692 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -81.8 112.16 18.69 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.495 -0.928 . . . . 0.58 108.495 171.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.84 -13.77 60.18 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.503 0.557 . . . . 1.09 112.503 -172.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -108.45 -42.68 4.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.68 0.276 . . . . 2.18 111.209 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -90.66 -38.74 12.9 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.569 0.581 . . . . 4.71 112.569 -173.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.74 147.06 27.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.2 0.524 . . . . 0.61 111.365 -176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 75.1 t -119.65 133.79 23.85 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.506 -0.77 . . . . 1.1 110.36 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.09 -51.22 11.66 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.511 2.141 . . . . 0.29 112.839 -175.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -69.7 -25.26 63.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 2.34 111.694 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.468 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 14.8 t70 -67.19 -48.58 67.48 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.268 -0.641 . . . . 1.09 109.268 175.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.57 -39.75 82.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.142 -0.935 . . . . 1.08 111.084 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.576 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.11 -26.57 66.76 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.921 -0.312 . . . . 1.01 111.309 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -68.33 -43.38 77.67 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.586 -0.524 . . . . 1.08 109.586 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 3.2 mm-40 -58.77 -42.81 89.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.458 -0.792 . . . . 2.07 109.026 176.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.439 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.0 mtt -54.89 -43.44 73.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.232 -0.894 . . . . 1.05 111.173 177.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.637 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 63.5 t -66.68 -50.21 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.987 -0.551 . . . . 1.08 110.95 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.2 -38.33 81.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.265 -0.425 . . . . 0.77 111.809 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.7 m -76.19 -1.82 28.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.666 0.269 . . . . 1.71 111.719 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 84.73 30.19 27.31 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.735 -0.745 . . . . 0.54 113.555 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.434 ' HB3' HD11 ' A' ' 522' ' ' ILE . 72.6 m-85 -103.54 -42.89 5.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.072 0.463 . . . . 1.08 110.546 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.637 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 86.8 t -121.96 151.91 25.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.715 -0.675 . . . . 1.05 110.41 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.401 ' N ' HG12 ' A' ' 546' ' ' VAL . 43.0 t -87.88 140.33 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.954 -0.758 . . . . 1.24 108.954 172.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.474 ' HB2' HG11 ' A' ' 541' ' ' VAL . 10.2 tp10 -59.38 -21.17 59.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.911 -0.586 . . . . 2.72 111.281 -175.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -70.85 -18.14 75.84 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.96 -0.638 . . . . 0.32 112.682 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.401 ' O ' ' HG2' ' A' ' 554' ' ' MET . 51.3 m-20 -112.65 16.15 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.846 0.323 . . . . 1.23 111.158 -178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -53.96 -51.15 64.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.26 -0.427 . . . . 0.3 111.523 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -63.62 -40.95 98.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.528 -0.305 . . . . 3.4 110.244 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 44.9 m -58.03 -48.37 80.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.723 -0.672 . . . . 1.07 111.106 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.586 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.3 mmt -67.28 -47.15 71.5 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.017 -0.538 . . . . 1.01 110.881 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.61 78.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 1.04 110.903 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -66.6 -36.51 82.79 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.945 -0.57 . . . . 2.3 110.135 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.501 ' HB1' ' CG2' ' A' ' 485' ' ' VAL . . . -62.64 -46.42 88.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.209 0.528 . . . . 1.0 109.987 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 554' ' ' MET . 54.6 mt -61.43 -51.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.114 -0.948 . . . . 1.05 110.362 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -65.15 -35.43 81.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.647 -0.706 . . . . 2.69 110.593 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.72 -43.6 94.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 1.03 110.567 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.65 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.4 tpt180 -72.03 -48.98 40.58 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.209 -0.451 . . . . 2.1 110.684 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 95.2 t -57.71 -34.23 47.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.226 -0.443 . . . . 1.05 110.59 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 14.5 t -61.87 -49.94 74.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.005 -0.543 . . . . 1.44 110.685 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -70.26 -36.35 74.39 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 120.879 0.371 . . . . 2.3 110.351 -177.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.11 -55.32 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 1.1 111.023 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 98.9 mttt -65.25 -31.37 72.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.847 -0.615 . . . . 1.39 110.845 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.491 ' HD2' ' OE1' ' A' ' 570' ' ' GLU . 31.5 tpt180 -65.68 -43.03 90.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 3.48 111.22 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 564' ' ' LEU . 75.1 mmtt -63.68 -32.84 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.461 0.648 . . . . 3.89 110.037 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -75.65 -6.11 48.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.322 -0.854 . . . . 3.62 112.026 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.491 ' OE1' ' HD2' ' A' ' 567' ' ' ARG . 34.1 mt-10 -82.85 -3.04 56.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.148 0.499 . . . . 2.16 110.432 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -102.81 138.12 40.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.858 -0.61 . . . . 5.94 109.899 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.416 -0.802 . . . . 8.81 110.475 179.463 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.929 -0.468 . . . . 9.82 111.929 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -71.29 97.74 1.63 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.986 0.422 . . . . 7.34 110.843 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 23.6 ptp -120.05 -15.27 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.114 -0.494 . . . . 11.23 110.585 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -129.49 157.05 77.57 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.987 -0.746 . . . . 7.18 108.987 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.2 75.33 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.725 2.284 . . . . 7.93 112.936 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -141.81 -56.29 0.46 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.665 -0.698 . . . . 8.01 109.486 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.69 164.11 24.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.663 -0.699 . . . . 6.03 110.454 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . 0.526 ' HG2' ' H ' ' A' ' 483' ' ' THR . 27.2 tt0 -71.6 176.49 4.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.248 -0.433 . . . . 5.92 109.963 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.526 ' H ' ' HG2' ' A' ' 482' ' ' GLU . 2.4 m -50.04 137.75 16.79 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 122.568 0.347 . . . . 1.91 111.054 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.413 ' C ' ' HB3' ' A' ' 507' ' ' GLU . . . -76.1 41.82 1.57 Allowed Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.318 -0.468 . . . . 1.18 113.426 -174.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.593 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -153.91 170.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 122.653 0.381 . . . . 1.14 110.789 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -161.65 134.8 6.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.978 -0.556 . . . . 3.43 110.032 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 85.2 t -104.72 133.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.042 0.449 . . . . 1.05 110.572 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.625 ' HG3' ' NH2' ' A' ' 505' ' ' ARG . 67.9 mm-40 -122.19 160.97 24.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.452 -0.794 . . . . 2.01 110.174 -177.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.533 ' HG ' ' NH2' ' A' ' 561' ' ' ARG . 57.0 mt -80.65 145.03 31.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.141 -0.481 . . . . 1.12 109.894 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -79.69 -30.46 41.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.701 0.762 . . . . 1.04 109.222 173.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.72 -164.72 1.39 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.754 -1.112 . . . . 2.02 110.066 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -94.01 136.23 34.52 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 116.023 -0.535 . . . . 2.36 109.631 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -120.05 104.73 10.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.378 0.51 . . . . 1.37 112.378 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -161.05 22.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.558 -0.746 . . . . 3.38 109.763 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -104.02 8.21 49.44 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.827 -0.701 . . . . 2.45 113.528 -174.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 63.09 12.56 6.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.125 0.488 . . . . 3.35 111.554 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -62.6 132.88 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.485 -0.78 . . . . 2.25 110.449 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 28.0 mm -76.99 -28.62 16.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.159 -0.473 . . . . 1.29 110.732 -174.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -120.56 122.9 41.58 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.354 0.597 . . . . 1.16 111.059 -176.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 14.0 pt -120.99 -177.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.122 -0.945 . . . . 1.11 110.498 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 36.2 ttpt -127.5 120.08 27.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.155 0.502 . . . . 2.28 110.195 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.468 ' CD2' HD23 ' A' ' 489' ' ' LEU . 45.9 mt -112.77 157.38 21.4 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.516 -0.766 . . . . 1.3 110.958 -175.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.67 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.5 m95 -119.61 116.56 26.27 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 0.39 109.734 169.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.457 ' HB3' ' HB ' ' A' ' 522' ' ' ILE . 51.6 tp -75.23 95.37 3.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.443 -0.577 . . . . 1.13 109.443 174.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.625 ' NH2' ' HG3' ' A' ' 488' ' ' GLU . 6.5 ttm180 -87.38 120.15 28.38 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.893 -0.594 . . . . 3.84 110.019 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.532 ' HA ' HG12 ' A' ' 485' ' ' VAL . 30.5 mm -77.1 109.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.81 -0.632 . . . . 1.23 110.026 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.452 ' H ' ' HA ' ' A' ' 485' ' ' VAL . 6.7 tp10 -75.6 -55.33 5.77 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.194 -0.912 . . . . 1.52 110.6 -175.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.45 106.61 8.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.007 0.432 . . . . 0.71 110.823 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.4 pp -75.26 -15.15 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.594 0.591 . . . . 1.34 112.594 -178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.28 -11.55 56.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.269 0.557 . . . . 3.57 110.345 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -81.32 -18.62 45.11 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 121.861 0.838 . . . . 3.59 109.03 174.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 15.0 mt -102.98 173.44 6.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.036 -0.984 . . . . 1.15 110.444 -175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -138.39 75.25 1.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.236 0.541 . . . . 3.74 109.958 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -168.24 -154.04 8.55 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.6 -0.727 . . . . 1.11 111.734 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -100.35 94.36 6.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.755 0.312 . . . . 3.9 110.465 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -133.37 174.28 10.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.444 . . . . 1.14 109.959 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.455 ' C ' ' H ' ' A' ' 519' ' ' ASN . 57.0 mtmt -140.64 156.26 46.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.244 -0.28 . . . . 2.47 110.244 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -79.73 36.58 0.33 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 122.226 1.012 . . . . 2.29 110.66 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.455 ' H ' ' C ' ' A' ' 517' ' ' LYS . 23.4 t-20 -171.18 46.42 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.519 -1.219 . . . . 3.24 107.76 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -120.03 122.72 41.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.029 -0.987 . . . . 1.52 110.204 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.437 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -134.1 123.76 24.99 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 115.911 -0.586 . . . . 1.12 109.764 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.457 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 73.7 mt -101.63 104.17 15.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 115.373 -0.83 . . . . 1.11 110.642 -176.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.67 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.2 tt0 -71.93 128.91 37.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.719 -0.673 . . . . 0.6 110.201 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -151.79 140.81 21.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.274 -0.421 . . . . 0.27 109.949 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 53.7 m -85.33 144.12 28.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.09 -0.337 . . . . 1.71 110.09 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -131.43 122.39 26.18 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.401 -0.519 . . . . 0.27 110.806 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.09 113.12 24.24 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.709 -0.848 . . . . 0.58 108.709 172.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.97 -4.6 13.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.608 0.596 . . . . 1.09 112.608 -172.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -111.05 -49.92 2.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.011 0.434 . . . . 2.18 110.59 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -82.42 -44.66 15.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.794 -0.639 . . . . 4.71 112.485 -173.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.1 142.94 43.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.304 0.573 . . . . 0.61 111.833 -173.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.63 ' O ' HG22 ' A' ' 536' ' ' VAL . 97.8 t -118.11 125.12 28.15 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.949 . . . . 1.1 108.961 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.71 -38.12 84.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 123.424 2.75 . . . . 0.29 114.015 -173.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.83 -40.99 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.644 -0.422 . . . . 2.34 110.695 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 18.6 t70 -59.53 -42.01 91.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.235 0.54 . . . . 1.09 110.242 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 532' ' ' VAL . 41.9 t -66.64 -41.37 88.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.203 -0.908 . . . . 1.08 110.996 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.39 -25.76 67.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.378 -0.374 . . . . 1.01 110.547 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.7 mm100 -66.17 -42.75 88.51 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.984 -0.376 . . . . 1.08 109.984 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -59.11 -41.87 89.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.16 -0.682 . . . . 2.07 109.16 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.404 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 59.6 mtt -57.7 -43.42 85.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.918 -1.037 . . . . 1.05 110.968 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.637 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 67.2 t -67.41 -50.75 59.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.558 . . . . 1.08 110.724 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -60.03 -42.79 95.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 0.77 111.565 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.4 t -71.96 -12.74 61.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.439 -0.346 . . . . 1.71 111.229 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.12 8.44 56.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.54 113.489 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.454 ' HB3' ' CD1' ' A' ' 522' ' ' ILE . 69.8 m-85 -81.41 -48.32 12.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.284 0.564 . . . . 1.08 110.526 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.637 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 68.9 t -112.23 147.05 16.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.666 -0.697 . . . . 1.05 110.604 -176.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 50.3 t -84.34 138.41 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.002 -0.74 . . . . 1.24 109.002 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.419 ' HB2' HG13 ' A' ' 541' ' ' VAL . 9.3 tp10 -58.82 -24.66 62.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.905 -0.589 . . . . 2.72 111.308 -174.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -69.22 -24.02 76.09 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.949 -0.643 . . . . 0.32 112.58 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -106.59 17.64 23.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 1.23 110.609 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -55.13 -53.97 49.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.3 111.765 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -70.26 -28.36 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.081 -0.248 . . . . 3.4 110.651 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 59.9 m -63.17 -45.21 92.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.097 0.475 . . . . 1.07 110.383 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.522 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.3 mmt -71.04 -43.03 68.7 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.037 -0.529 . . . . 1.01 110.819 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.57 73.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.788 -0.642 . . . . 1.04 110.761 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.49 -39.42 85.2 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.156 -0.475 . . . . 2.3 109.964 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.593 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.5 -46.01 91.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.237 0.542 . . . . 1.0 109.996 175.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 554' ' ' MET . 60.6 mt -61.91 -51.61 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.193 -0.912 . . . . 1.05 110.418 178.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -65.92 -33.24 75.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.855 -0.612 . . . . 2.69 110.824 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.5 -47.75 84.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.005 0.431 . . . . 1.03 110.034 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.2 tpt180 -67.22 -48.84 66.64 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.95 -0.568 . . . . 2.1 110.594 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 558' ' ' ILE . 99.4 t -59.21 -33.46 50.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.274 -0.421 . . . . 1.05 110.693 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 17.2 t -64.41 -49.1 72.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.206 -0.452 . . . . 1.44 110.63 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -69.21 -36.4 77.21 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.877 0.37 . . . . 2.3 110.35 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 61.8 mt -55.69 -53.96 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.459 -0.791 . . . . 1.1 110.805 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 62.7 mttm -63.41 -35.97 82.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.734 -0.666 . . . . 1.39 110.986 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -62.64 -37.66 87.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.363 . . . . 3.48 111.073 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.17 -22.39 65.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.252 0.549 . . . . 3.89 110.196 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -91.98 0.03 57.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.598 -0.728 . . . . 3.62 112.232 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 566' ' ' LYS . 58.7 mt-10 -87.63 9.05 22.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.279 0.561 . . . . 2.16 110.206 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -156.5 148.65 23.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.509 -0.769 . . . . 5.94 109.323 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.678 -0.677 . . . . 8.81 109.857 177.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.873 -0.491 . . . . 9.82 111.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -142.62 132.87 24.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 7.34 110.771 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 50.6 ttp -77.68 -28.49 51.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.965 -0.561 . . . . 11.23 109.75 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . 0.505 ' OD2' ' HB2' ' A' ' 480' ' ' GLN . 5.3 p-10 -89.59 146.24 35.29 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.354 -0.839 . . . . 7.18 109.867 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 31.8 Cg_exo -62.31 52.67 0.12 Allowed 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 124.03 3.153 . . . . 7.93 113.445 174.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.505 ' HB2' ' OD2' ' A' ' 478' ' ' ASP . 27.6 tt0 -72.29 -63.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.57 -0.53 . . . . 8.01 109.57 177.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.573 ' HB3' ' OD1' ' A' ' 560' ' ' ASP . 5.2 mm-40 51.53 41.04 28.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.815 0.817 . . . . 6.03 110.636 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -138.58 148.43 44.17 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.95 -1.023 . . . . 5.92 109.667 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.527 HG21 ' H ' ' A' ' 484' ' ' GLY . 2.4 m -149.06 -173.68 4.43 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 108.687 -0.857 . . . . 1.91 108.687 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.527 ' H ' HG21 ' A' ' 483' ' ' THR . . . -74.97 36.53 1.06 Allowed Glycine 0 C--N 1.333 0.398 0 C-N-CA 121.058 -0.591 . . . . 1.18 112.21 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.504 ' H ' ' C ' ' A' ' 483' ' ' THR . 0.2 OUTLIER -155.14 158.81 3.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 123.931 0.892 . . . . 1.14 108.977 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.423 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 20.8 tpp180 -160.63 133.34 6.34 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.133 0.492 . . . . 3.43 110.397 177.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 42.9 t -108.99 130.07 62.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.969 -0.56 . . . . 1.05 110.97 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -125.6 157.66 36.6 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.964 -1.016 . . . . 2.01 109.845 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 502' ' ' LEU . 77.7 mt -79.12 133.78 36.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.874 -0.603 . . . . 1.12 110.149 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.45 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -70.42 -28.42 65.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.871 0.843 . . . . 1.04 108.842 171.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -114.9 -157.01 0.62 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.165 -1.379 . . . . 2.02 109.113 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -117.23 157.49 25.94 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.198 -1.038 . . . . 2.36 108.198 167.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -132.81 99.21 4.54 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.358 -0.537 . . . . 1.37 112.154 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -147.65 21.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 3.38 110.604 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -110.32 -123.23 4.52 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.626 -0.797 . . . . 2.45 112.623 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.25 1.99 2.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.726 0.298 . . . . 3.35 111.552 -172.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -63.58 123.7 19.49 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.178 0.513 . . . . 2.25 111.129 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 6.2 mm -76.72 -34.59 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.4 -0.818 . . . . 1.29 109.563 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . 0.445 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -102.34 127.01 49.53 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.529 -0.759 . . . . 1.16 110.458 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.431 ' CD1' HD12 ' A' ' 565' ' ' ILE . 15.9 pt -119.88 173.17 6.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.845 -0.616 . . . . 1.11 110.756 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.417 ' HE2' ' CG ' ' A' ' 523' ' ' GLU . 16.4 tptm -115.66 113.44 23.53 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.824 -0.435 . . . . 2.28 109.824 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.463 ' CD2' HD22 ' A' ' 489' ' ' LEU . 40.2 mt -114.08 156.72 23.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 1.3 111.043 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.752 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 34.6 m95 -122.51 123.15 40.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.976 -0.379 . . . . 0.39 109.976 169.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 55.2 tp -81.13 95.48 6.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.921 -0.582 . . . . 1.13 110.237 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -80.24 120.16 23.96 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.058 -0.519 . . . . 3.84 110.005 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 27.9 mm -82.6 107.6 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.69 -0.485 . . . . 1.23 109.69 177.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.483 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 7.4 mm-40 -80.33 -48.28 13.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.963 -0.562 . . . . 1.52 111.77 -173.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -131.36 100.36 5.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.135 0.493 . . . . 0.71 110.506 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.4 pp -76.05 -16.97 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.678 -0.692 . . . . 1.34 112.377 -176.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -74.39 -32.11 62.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.07 0.462 . . . . 3.57 110.338 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -68.99 -16.58 63.76 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.586 -0.734 . . . . 3.59 111.034 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.13 171.29 7.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.769 -0.65 . . . . 1.15 110.006 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -134.94 72.15 1.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.595 0.712 . . . . 3.74 110.09 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -156.82 -135.84 2.01 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.493 -0.776 . . . . 1.11 111.891 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -126.57 93.73 3.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.318 0.58 . . . . 3.9 109.989 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.873 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 20.4 m-85 -137.5 157.16 47.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.33 -0.85 . . . . 1.14 109.632 -177.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' A' ' 519' ' ' ASN . 27.9 mtpp -112.06 151.23 29.62 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.411 -0.218 . . . . 2.47 110.411 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.32 36.27 0.36 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.268 0.556 . . . . 2.29 112.282 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 517' ' ' LYS . 66.4 t30 -177.42 40.09 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.16 -1.052 . . . . 3.24 108.16 175.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -115.31 138.61 50.78 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.877 -1.056 . . . . 1.52 110.438 -176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.539 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -133.03 135.45 45.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.294 0.568 . . . . 1.12 110.713 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 81.2 mt -103.57 106.77 20.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.103 -0.953 . . . . 1.11 110.755 -177.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.752 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 24.6 tt0 -71.39 130.08 40.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.988 -0.551 . . . . 0.6 110.984 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -149.42 144.29 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 0.27 109.831 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 47.2 t -83.27 144.53 29.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.931 -0.766 . . . . 1.71 108.931 174.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -129.36 113.78 15.38 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.261 -0.575 . . . . 0.27 110.288 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.445 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.1 t70 -79.86 99.91 7.76 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.115 -1.069 . . . . 0.58 108.115 172.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 86.7 mt -54.96 -27.59 44.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.043 -0.526 . . . . 1.09 112.16 -172.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -93.03 -45.74 7.78 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 116.225 -0.443 . . . . 2.18 111.814 -176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.74 -44.52 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.49 0.552 . . . . 4.71 112.49 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -76.4 158.66 31.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.63 0.729 . . . . 0.61 112.579 -170.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 96.5 t -127.81 131.9 24.05 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 114.628 -1.169 . . . . 1.1 109.246 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.409 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 50.7 Cg_exo -57.47 -38.99 92.41 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.482 2.788 . . . . 0.29 112.782 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -68.31 -30.6 69.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.357 -0.383 . . . . 2.34 110.732 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 12.9 t70 -73.82 -45.14 53.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.191 0.52 . . . . 1.09 110.138 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 80.4 t -61.96 -38.7 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.532 -0.758 . . . . 1.08 110.888 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.592 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -67.62 -21.7 65.38 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.976 -0.289 . . . . 1.01 110.79 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 0.0 OUTLIER -74.41 -41.15 61.39 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.845 -0.428 . . . . 1.08 109.845 173.563 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.87 -41.94 88.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.515 -0.766 . . . . 2.07 109.231 173.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 58.1 mtt -56.25 -40.62 74.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.156 -0.929 . . . . 1.05 111.299 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.648 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 58.2 t -67.93 -48.08 76.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 1.08 110.722 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.38 -33.97 75.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.115 -0.493 . . . . 0.77 111.241 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 22.9 t -76.97 -13.23 59.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.074 -0.512 . . . . 1.71 111.043 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 89.07 27.77 22.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.54 112.984 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.439 ' HB3' HD12 ' A' ' 522' ' ' ILE . 39.3 m-85 -102.79 -38.0 7.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.768 0.318 . . . . 1.08 110.953 177.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 92.3 t -125.46 145.36 32.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.145 -0.48 . . . . 1.05 110.674 -176.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.873 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 44.1 t -83.98 140.07 32.14 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.083 -0.71 . . . . 1.24 109.083 174.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.458 ' HB2' HG13 ' A' ' 541' ' ' VAL . 44.7 tt0 -61.79 -22.59 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.865 -0.607 . . . . 2.72 111.69 -174.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -74.88 -13.2 82.65 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.817 -0.706 . . . . 0.32 112.65 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 554' ' ' MET . 28.0 m-20 -117.2 20.13 13.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.455 0.645 . . . . 1.23 110.193 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -59.95 -43.4 95.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.098 -0.955 . . . . 0.3 111.004 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.98 -41.37 99.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 3.4 110.692 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 24.8 m -59.17 -46.29 88.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.901 -0.591 . . . . 1.07 111.047 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.604 ' O ' HG13 ' A' ' 558' ' ' ILE . 21.5 mmt -70.9 -45.96 63.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.849 -0.614 . . . . 1.01 110.956 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.5 76.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 1.04 110.745 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -64.9 -43.71 91.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.007 -0.542 . . . . 2.3 110.059 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.492 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -58.72 -45.91 88.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.09 0.471 . . . . 1.0 110.267 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 554' ' ' MET . 57.6 mt -61.56 -51.83 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.267 -0.879 . . . . 1.05 110.276 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -63.4 -37.2 86.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 2.69 110.855 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . 0.573 ' OD1' ' HB3' ' A' ' 481' ' ' GLU . 26.6 t70 -65.12 -41.69 94.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 1.03 111.113 -175.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.435 ' NH2' ' HG ' ' A' ' 489' ' ' LEU . 8.4 tpt180 -69.74 -43.98 71.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.787 -0.365 . . . . 2.1 110.143 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.7 -36.3 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.989 -0.55 . . . . 1.05 110.508 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 567' ' ' ARG . 23.5 t -58.65 -46.82 86.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.238 -0.437 . . . . 1.44 110.147 176.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 568' ' ' LYS . 89.1 mt -64.24 -44.27 92.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.168 0.508 . . . . 2.3 110.462 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.431 HD12 ' CD1' ' A' ' 500' ' ' ILE . 87.7 mt -59.39 -48.89 85.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.267 -0.879 . . . . 1.1 111.651 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.491 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 97.5 mttt -72.7 -33.97 66.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.82 -0.627 . . . . 1.39 111.418 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 563' ' ' SER . 13.4 tpt180 -54.43 -37.23 64.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.17 0.51 . . . . 3.48 110.93 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 564' ' ' LEU . 54.2 mttm -74.38 -23.2 58.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.655 -0.702 . . . . 3.89 110.772 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -90.93 -25.98 19.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.048 -0.524 . . . . 3.62 112.068 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 29.6 mm-40 -77.36 -77.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.428 0.529 . . . . 2.16 112.428 -172.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -120.06 57.39 0.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.732 -0.387 . . . . 5.94 111.768 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.442 -0.79 . . . . 8.81 110.23 175.6 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 N-CA-C 112.173 -0.371 . . . . 9.82 112.173 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . 59.02 59.96 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.239 0.616 . . . . 7.34 111.904 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 26.7 ptm -77.67 -22.8 50.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.904 -0.776 . . . . 11.23 108.904 172.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -126.56 149.36 67.75 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 114.845 -1.07 . . . . 7.18 108.578 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.44 -8.78 0.15 Allowed 'Trans proline' 0 N--CA 1.477 0.538 0 C-N-CA 124.711 3.607 . . . . 7.93 115.676 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -117.35 65.1 0.73 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.206 0.527 . . . . 8.01 110.973 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -79.16 80.73 5.49 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.27 0.557 . . . . 6.03 110.122 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -170.24 172.47 6.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.249 -0.887 . . . . 5.92 109.159 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 1.7 m 64.02 87.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.544 0.528 . . . . 1.91 109.658 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.418 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -74.42 46.5 1.62 Allowed Glycine 0 C--N 1.334 0.45 0 CA-C-N 116.283 -0.417 . . . . 1.18 113.684 -173.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.555 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -151.76 154.69 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 123.099 0.56 . . . . 1.14 110.371 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -155.5 154.86 32.46 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.845 -0.616 . . . . 3.43 109.358 176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 59.3 t -126.83 134.69 65.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.749 0.309 . . . . 1.05 110.472 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -130.04 159.24 37.32 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.707 -0.679 . . . . 2.01 110.71 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.525 ' HG ' ' NH2' ' A' ' 561' ' ' ARG . 71.6 mt -80.62 134.77 35.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 1.12 110.662 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.503 ' HB1' ' CD1' ' A' ' 503' ' ' TRP . . . -83.68 -18.64 37.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.606 . . . . 1.04 110.0 174.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.8 168.26 18.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.165 -0.925 . . . . 2.02 109.747 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -81.1 96.66 7.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.15 -0.477 . . . . 2.36 110.343 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -77.21 81.22 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.48 0.657 . . . . 1.37 110.849 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -140.69 46.58 1.78 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.546 0.689 . . . . 3.38 109.816 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -137.11 17.73 3.57 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.337 -0.847 . . . . 2.45 112.187 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 55.81 41.86 29.7 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.911 0.862 . . . . 3.35 109.227 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -67.12 140.51 57.56 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.31 -1.314 . . . . 2.25 111.18 -174.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 23.1 mm -88.54 -32.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.342 0.592 . . . . 1.29 109.461 175.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -126.54 123.46 37.78 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.504 -0.771 . . . . 1.16 110.531 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.418 ' CD1' HD11 ' A' ' 565' ' ' ILE . 10.8 pt -122.28 179.92 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.536 -0.756 . . . . 1.11 110.897 -174.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -124.75 121.14 33.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.87 -0.605 . . . . 2.28 109.393 175.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.472 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 29.7 mt -117.41 162.24 18.27 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.865 -0.607 . . . . 1.3 110.623 -176.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.616 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.3 m95 -123.15 124.58 43.38 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.562 -0.533 . . . . 0.39 109.562 168.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.632 HD23 ' SD ' ' A' ' 554' ' ' MET . 57.2 tp -78.26 96.86 5.36 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.133 -0.691 . . . . 1.13 109.133 173.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.431 ' HG3' ' HB3' ' A' ' 521' ' ' ALA . 6.9 ttt180 -91.4 119.15 31.16 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.391 -0.822 . . . . 3.84 109.933 -177.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 26.4 mm -75.16 115.86 17.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 116.238 -0.437 . . . . 1.23 109.852 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.468 ' HG3' ' C ' ' A' ' 485' ' ' VAL . 5.8 mt-10 -75.81 -39.65 56.44 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.347 -0.388 . . . . 1.52 110.833 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.428 ' OD1' ' HB2' ' A' ' 510' ' ' LYS . 11.5 t70 -151.45 112.78 4.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.284 -0.416 . . . . 0.71 110.421 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.5 pp -76.31 -14.74 15.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.945 -0.571 . . . . 1.34 112.441 -176.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . 0.428 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 34.9 mmtp -75.41 -35.26 61.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 3.57 110.506 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -66.8 -21.58 66.04 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.747 -0.66 . . . . 3.59 111.619 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 45.4 mt -91.18 178.48 5.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.371 -0.377 . . . . 1.15 110.327 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -135.71 74.44 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.399 0.619 . . . . 3.74 110.347 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -171.91 -164.04 26.83 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.653 -0.703 . . . . 1.11 111.416 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -97.11 89.23 4.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.094 0.473 . . . . 3.9 110.596 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.872 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 21.3 m-85 -123.91 146.11 48.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.586 -0.734 . . . . 1.14 109.262 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.448 ' C ' ' H ' ' A' ' 519' ' ' ASN . 36.2 mtmm -107.04 148.2 29.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.655 0.264 . . . . 2.47 110.612 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -79.46 37.19 0.33 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.25 1.024 . . . . 2.29 110.652 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 517' ' ' LYS . 4.4 p-10 -164.13 24.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.709 -1.132 . . . . 3.24 108.896 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.45 135.12 54.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.393 -0.821 . . . . 1.52 111.214 -171.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.431 ' HB3' ' HG3' ' A' ' 505' ' ' ARG . . . -136.45 138.63 41.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.13 -0.941 . . . . 1.12 109.395 177.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.539 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 67.6 mt -102.69 101.87 12.78 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 115.549 -0.75 . . . . 1.11 110.869 -175.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.616 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 24.9 tt0 -68.3 127.3 32.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.37 -0.832 . . . . 0.6 110.375 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -149.13 141.24 23.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.365 -0.38 . . . . 0.27 110.252 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 15.6 m -86.66 146.6 26.24 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.774 -0.454 . . . . 1.71 109.774 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -136.38 120.45 17.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.104 -0.638 . . . . 0.27 111.079 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -88.35 116.1 26.33 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.694 -0.854 . . . . 0.58 108.694 171.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.24 -6.71 30.89 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.134 -0.485 . . . . 1.09 112.077 -172.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -112.65 -45.99 3.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.764 0.316 . . . . 2.18 110.813 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -82.38 -50.17 9.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.302 -0.408 . . . . 4.71 111.984 -177.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.71 153.81 42.45 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.634 0.731 . . . . 0.61 112.613 -171.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.566 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 77.5 t -126.87 127.6 24.39 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 114.53 -1.214 . . . . 1.1 109.163 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -57.51 -40.2 82.66 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.221 2.614 . . . . 0.29 112.779 -175.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.65 -37.3 82.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.968 0.413 . . . . 2.34 110.868 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.566 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 7.7 m-20 -70.39 -42.24 71.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.967 -0.56 . . . . 1.09 110.761 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 532' ' ' VAL . 98.3 t -62.27 -38.49 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 1.08 110.822 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.6 ' O ' HG22 ' A' ' 541' ' ' VAL . . . -67.9 -20.31 65.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.401 -0.363 . . . . 1.01 111.162 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -76.03 -39.1 56.36 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.938 -0.393 . . . . 1.08 109.938 174.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -58.46 -41.49 85.3 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.835 -0.802 . . . . 2.07 108.835 173.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 56.8 mtt -55.54 -43.13 75.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.594 -1.184 . . . . 1.05 111.451 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 537' ' ' ALA . 46.6 t -70.32 -43.86 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 1.08 110.884 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.84 -31.34 72.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.445 -0.343 . . . . 0.77 111.283 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.7 t -85.63 -3.12 58.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.225 -0.443 . . . . 1.71 111.083 -177.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 83.63 18.67 63.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.633 -0.794 . . . . 0.54 113.293 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.429 ' HB3' ' CD1' ' A' ' 522' ' ' ILE . 54.5 m-85 -89.84 -42.53 11.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.115 0.483 . . . . 1.08 110.44 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 98.0 t -121.08 146.53 25.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.893 -0.594 . . . . 1.05 110.631 -176.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.872 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 52.7 t -84.84 138.76 32.37 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.443 -0.947 . . . . 1.24 108.443 172.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.479 ' HB2' HG13 ' A' ' 541' ' ' VAL . 33.2 tt0 -58.0 -20.93 42.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.612 -0.722 . . . . 2.72 112.165 -171.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -76.54 -20.75 76.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.897 -0.668 . . . . 0.32 112.856 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' A' ' 554' ' ' MET . 50.7 m-20 -103.48 15.98 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.181 0.515 . . . . 1.23 109.959 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -57.75 -47.0 83.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.768 . . . . 0.3 111.476 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.45 -39.7 94.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.87 0.367 . . . . 3.4 110.272 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 58.9 m -60.7 -46.07 91.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.881 -0.6 . . . . 1.07 111.105 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.632 ' SD ' HD23 ' A' ' 504' ' ' LEU . 23.1 mmt -67.09 -47.34 71.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 1.01 110.814 -178.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.32 75.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 1.04 110.942 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -66.51 -41.08 89.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.015 -0.539 . . . . 2.3 110.162 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.555 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.2 -45.12 94.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.267 0.556 . . . . 1.0 110.242 175.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' ' 554' ' ' MET . 57.0 mt -61.58 -52.15 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 115.21 -0.904 . . . . 1.05 109.932 177.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -60.68 -39.95 90.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.64 -0.709 . . . . 2.69 111.112 -176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.72 -41.25 96.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 1.03 110.445 -177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.649 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.0 tpt180 -70.82 -46.06 63.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.223 -0.444 . . . . 2.1 110.433 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 558' ' ' ILE . 90.8 t -60.46 -32.35 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 116.257 -0.429 . . . . 1.05 110.351 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 40.7 t -58.59 -51.36 70.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 1.44 110.867 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -71.13 -34.27 70.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.168 0.509 . . . . 2.3 110.694 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.418 HD11 ' CD1' ' A' ' 500' ' ' ILE . 85.5 mt -60.62 -48.22 89.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.66 -0.7 . . . . 1.1 110.733 172.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.97 -24.64 65.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 1.39 111.101 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.562 ' O ' ' HD3' ' A' ' 567' ' ' ARG . 2.5 tmt_? -63.34 -31.67 72.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.338 -0.616 . . . . 3.48 109.338 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -65.12 -35.92 82.64 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.828 -0.623 . . . . 3.89 110.011 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -75.27 -12.14 60.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.863 -0.608 . . . . 3.62 111.686 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -80.22 56.59 2.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.243 0.544 . . . . 2.16 111.017 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -94.89 155.58 16.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.635 -0.712 . . . . 5.94 109.947 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.777 -0.63 . . . . 8.81 109.965 178.677 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 111.984 -0.446 . . . . 9.82 111.984 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 482' ' ' GLU . . . 61.42 40.24 14.21 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.797 0.439 . . . . 7.34 111.726 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.4 ttt -69.31 -33.92 73.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.412 0.625 . . . . 11.23 109.742 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -106.56 138.81 19.86 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.422 -0.808 . . . . 7.18 109.329 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -61.1 56.16 0.1 OUTLIER 'Trans proline' 0 N--CA 1.478 0.592 0 C-N-CA 124.009 3.14 . . . . 7.93 114.244 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -87.34 -43.83 11.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.905 0.383 . . . . 8.01 110.239 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -176.33 121.33 0.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.011 -0.737 . . . . 6.03 109.011 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . 0.456 ' C ' ' HG1' ' A' ' 483' ' ' THR . 13.2 pt-20 -152.13 -57.06 0.14 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.698 0.285 . . . . 5.92 110.851 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.456 ' HG1' ' C ' ' A' ' 482' ' ' GLU . 10.9 m -162.44 138.04 7.24 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.337 -0.986 . . . . 1.91 108.337 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.444 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -78.13 38.98 1.81 Allowed Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.642 -0.789 . . . . 1.18 113.703 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.559 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -153.0 157.89 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 123.056 0.543 . . . . 1.14 109.896 177.314 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -157.23 133.96 10.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.752 -0.658 . . . . 3.43 110.029 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 77.4 t -112.19 135.48 51.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.934 -0.576 . . . . 1.05 111.107 -176.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.447 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 42.7 mt-10 -132.78 163.07 29.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.389 -0.823 . . . . 2.01 110.535 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.565 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 77.8 mt -81.42 135.6 35.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 1.12 110.746 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.505 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -77.77 -24.49 48.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.713 0.768 . . . . 1.04 109.277 171.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.565 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 12.6 pt-20 -138.05 155.52 48.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.674 -1.148 . . . . 2.02 108.945 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.15 126.1 30.32 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.052 -0.522 . . . . 2.36 110.502 -175.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -90.36 120.84 31.82 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.115 -0.493 . . . . 1.37 110.717 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -151.79 88.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.146 -0.479 . . . . 3.38 110.468 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 146.87 -100.24 0.22 Allowed Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.507 -0.854 . . . . 2.45 112.674 175.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -165.76 42.6 0.07 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.091 0.472 . . . . 3.35 111.064 -171.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.13 129.29 39.67 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.872 -0.604 . . . . 2.25 109.834 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 30.7 mm -82.35 -27.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.434 0.635 . . . . 1.29 109.68 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -133.82 120.2 20.16 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.44 -0.8 . . . . 1.16 110.67 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 12.6 pt -115.8 -178.61 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.328 -0.851 . . . . 1.11 110.648 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -127.32 118.63 24.54 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.992 -0.549 . . . . 2.28 109.888 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 30.1 mt -118.56 155.42 30.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.715 -0.675 . . . . 1.3 110.555 -177.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.711 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 32.1 m95 -118.83 121.6 40.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.924 -0.398 . . . . 0.39 109.924 171.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 60.3 tp -79.25 94.32 5.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.937 -0.574 . . . . 1.13 110.167 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.429 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 87.1 mtt180 -87.49 119.08 27.42 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.501 -0.772 . . . . 3.84 110.53 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 39.1 mm -74.3 120.55 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.736 -0.665 . . . . 1.23 110.214 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.444 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 17.0 mm-40 -87.5 -43.86 11.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.112 -0.494 . . . . 1.52 111.535 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -149.5 107.2 3.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.968 0.413 . . . . 0.71 110.662 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.429 HG21 ' HB2' ' A' ' 516' ' ' TYR . 29.9 pt -75.9 -10.59 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 112.862 0.69 . . . . 1.34 112.862 -177.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -73.29 -25.02 60.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.263 0.554 . . . . 3.57 109.796 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -76.69 -27.73 55.63 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.229 -0.896 . . . . 3.59 109.977 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 48.3 mt -90.87 155.11 19.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.383 -0.826 . . . . 1.15 111.099 -174.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -96.81 -34.87 11.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.49 -0.777 . . . . 3.74 109.802 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -70.5 179.67 29.15 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.529 -0.76 . . . . 1.11 112.602 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.517 ' N ' ' HD3' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -101.03 115.45 30.52 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.225 -0.287 . . . . 3.9 110.225 -177.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.479 ' HH ' ' HA ' ' A' ' 546' ' ' VAL . 60.7 m-85 -139.57 162.57 34.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.019 0.437 . . . . 1.14 110.821 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' A' ' 519' ' ' ASN . 27.1 mtpp -86.82 149.39 24.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.468 -0.787 . . . . 2.47 109.442 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.9 28.32 0.36 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.844 0.831 . . . . 2.29 110.77 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.49 ' H ' ' C ' ' A' ' 517' ' ' LYS . 34.1 t-20 -167.49 41.08 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.348 -1.296 . . . . 3.24 107.824 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 8.3 tp10 -91.6 148.26 22.41 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.92 -1.036 . . . . 1.52 109.607 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.634 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -148.77 113.64 5.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.548 0.689 . . . . 1.12 110.498 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.464 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 98.3 mt -96.61 105.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.917 -1.038 . . . . 1.11 110.41 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.711 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 14.3 tt0 -71.02 125.55 27.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.595 . . . . 0.6 110.529 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . 0.416 ' CD2' HG12 ' A' ' 536' ' ' VAL . 39.4 p90 -142.61 148.39 37.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.269 -0.423 . . . . 0.27 110.015 178.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 50.6 m -89.86 138.25 31.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.27 -0.641 . . . . 1.71 109.27 176.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -122.6 110.82 16.02 Favored 'General case' 0 CA--C 1.508 -0.644 0 C-N-CA 120.34 -0.544 . . . . 0.27 110.431 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.437 ' CG ' ' HB3' ' A' ' 530' ' ' ARG . 9.0 t70 -83.83 117.05 23.04 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.741 -0.837 . . . . 0.58 108.741 172.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 68.2 mt -72.84 -8.47 55.7 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.875 -0.602 . . . . 1.09 111.756 -172.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -112.85 -45.31 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.219 -0.446 . . . . 2.18 110.665 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . 0.437 ' HB3' ' CG ' ' A' ' 527' ' ' ASP . 15.2 ttt180 -82.83 -50.23 8.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 4.71 111.858 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -85.34 143.06 28.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.348 0.594 . . . . 0.61 111.468 -171.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 55.3 t -113.4 138.57 22.53 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.106 -0.952 . . . . 1.1 109.328 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.519 ' HG2' ' HG2' ' A' ' 559' ' ' LYS . 50.8 Cg_exo -47.12 -50.68 10.63 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.379 2.053 . . . . 0.29 112.713 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -67.06 -28.25 68.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.454 -0.339 . . . . 2.34 111.588 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 26.5 t70 -70.38 -42.63 71.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.183 0.516 . . . . 1.09 110.082 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.416 HG12 ' CD2' ' A' ' 524' ' ' PHE . 92.9 t -62.1 -42.13 93.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.56 -0.745 . . . . 1.08 110.356 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.605 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -64.56 -29.15 70.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.176 -0.466 . . . . 1.01 110.575 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 13.8 mm100 -64.95 -45.99 83.41 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 110.009 -0.367 . . . . 1.08 110.009 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 5.0 mm-40 -57.37 -45.08 84.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.191 -0.67 . . . . 2.07 109.191 175.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.446 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.7 mtt -54.95 -45.68 74.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.156 -0.929 . . . . 1.05 111.194 177.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.605 HG21 ' O ' ' A' ' 537' ' ' ALA . 86.0 t -64.67 -50.26 76.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.585 . . . . 1.08 110.88 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.35 -36.99 84.29 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.921 0.341 . . . . 0.77 111.921 -174.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 49.0 m -74.25 -12.2 60.49 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.929 0.344 . . . . 1.71 111.929 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.4 16.4 34.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.375 -0.917 . . . . 0.54 113.366 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.406 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.5 m-85 -91.37 -53.07 4.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.058 0.456 . . . . 1.08 110.52 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 61.8 t -107.92 152.01 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.595 -0.73 . . . . 1.05 110.888 -174.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.418 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 45.5 t -91.24 143.3 26.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.004 -0.739 . . . . 1.24 109.004 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -16.0 51.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 2.72 112.313 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -82.13 -14.6 76.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.804 -0.713 . . . . 0.32 112.661 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 554' ' ' MET . 47.9 m-20 -113.56 15.36 18.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.801 0.334 . . . . 1.23 110.66 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -55.79 -48.71 74.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.021 -0.536 . . . . 0.3 111.373 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -64.27 -39.54 94.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 3.4 110.636 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 83.0 m -61.12 -49.7 76.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 1.07 111.201 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.606 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.6 mmt -64.1 -46.68 83.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.526 . . . . 1.01 110.667 -178.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.1 87.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.643 -0.708 . . . . 1.04 111.233 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.485 ' O ' ' HD2' ' A' ' 556' ' ' LYS . 0.3 OUTLIER -64.31 -40.68 96.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.137 -0.69 . . . . 2.3 109.137 179.259 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.559 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -58.41 -46.47 86.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 1.0 110.114 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 554' ' ' MET . 60.2 mt -60.2 -51.35 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.144 -0.935 . . . . 1.05 110.231 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.519 ' HG2' ' HG2' ' A' ' 533' ' ' PRO . 2.6 tmtp? -61.16 -46.72 89.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.06 -0.973 . . . . 2.69 110.582 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.49 -40.31 65.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.134 -0.485 . . . . 1.03 111.392 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.687 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.5 tpt180 -72.7 -48.7 36.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 2.1 110.408 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.32 -35.18 56.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.091 -0.504 . . . . 1.05 111.055 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.405 ' O ' ' HB2' ' A' ' 567' ' ' ARG . 22.0 t -60.33 -47.61 85.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.001 -0.545 . . . . 1.44 110.591 178.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -73.38 -36.23 66.03 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.955 0.407 . . . . 2.3 110.49 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.52 -54.38 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.689 -0.687 . . . . 1.1 111.098 173.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 97.9 mttt -68.66 -32.64 72.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 1.39 111.023 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 563' ' ' SER . 0.0 OUTLIER -56.85 -47.17 80.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 3.48 110.82 179.317 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -66.84 -33.01 74.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.008 -0.542 . . . . 3.89 110.504 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -68.84 -24.01 64.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 3.62 111.296 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 35.5 mm-40 -78.22 1.39 21.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.272 -0.422 . . . . 2.16 110.936 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 57.08 38.58 29.23 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.528 0.68 . . . . 5.94 109.325 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 . . . . . 0 C--O 1.247 0.956 0 CA-C-N 115.01 -0.996 . . . . 8.81 110.125 -171.489 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 112.456 -0.258 . . . . 9.82 112.456 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -95.4 -8.23 36.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.892 -0.181 . . . . 7.34 111.148 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 84.4 mtp 71.95 -72.44 0.11 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.407 0.683 . . . . 11.23 110.695 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -119.62 145.56 39.41 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.132 -0.692 . . . . 7.18 109.132 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -42.39 86.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 124.921 3.747 . . . . 7.93 115.056 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.48 -62.44 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.9 -0.778 . . . . 8.01 108.9 171.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -160.5 39.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.115 -1.069 . . . . 6.03 108.115 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 62.68 -79.65 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.91 -1.041 . . . . 5.92 109.836 -169.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 485' ' ' VAL . 0.8 OUTLIER -99.57 147.04 25.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.278 -0.419 . . . . 1.91 110.216 173.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -84.88 26.92 5.11 Favored Glycine 0 CA--C 1.508 -0.347 0 C-N-CA 120.479 -0.867 . . . . 1.18 111.219 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.572 ' CG2' ' HB1' ' A' ' 557' ' ' ALA . 0.6 OUTLIER -150.15 156.18 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 114.76 -0.72 . . . . 1.14 109.62 -178.117 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -164.11 132.75 3.66 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.51 0.671 . . . . 3.43 110.631 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.573 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 57.9 t -104.63 138.63 28.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 115.237 -0.892 . . . . 1.05 109.978 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.8 157.8 41.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.189 -0.46 . . . . 2.01 110.744 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.47 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 85.9 mt -79.91 129.87 34.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.542 -0.754 . . . . 1.12 110.416 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -71.45 -21.55 61.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.212 0.53 . . . . 1.04 110.046 176.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.47 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 9.8 pt-20 -143.79 171.01 14.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.183 -0.917 . . . . 2.02 109.524 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.1 112.15 17.13 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.312 -0.404 . . . . 2.36 110.565 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . 0.44 ' CG ' HH21 ' A' ' 569' ' ' ARG . 34.8 t70 -90.57 114.52 26.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.858 -0.61 . . . . 1.37 111.784 -175.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -174.72 98.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 3.38 110.761 175.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 154.44 -103.98 0.25 Allowed Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.245 -0.979 . . . . 2.45 112.932 173.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -116.87 11.64 14.5 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.301 -0.449 . . . . 3.35 110.919 -170.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -68.79 100.35 1.16 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.657 -0.701 . . . . 2.25 111.075 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 18.5 mm -83.52 -43.29 18.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 107.865 -1.161 . . . . 1.29 107.865 171.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -105.52 119.51 39.29 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.322 -1.308 . . . . 1.16 110.044 176.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.4 pt -110.88 -177.66 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 115.279 -0.873 . . . . 1.11 110.835 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -130.02 112.86 13.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.344 -0.613 . . . . 2.28 109.344 -178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.573 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 54.3 mt -116.44 153.24 32.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.549 . . . . 1.3 111.469 -174.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.681 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.2 m95 -119.26 118.87 32.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.473 -0.566 . . . . 0.39 109.473 169.301 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.5 HD22 ' SD ' ' A' ' 554' ' ' MET . 39.4 tp -78.11 107.0 10.37 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.093 -0.503 . . . . 1.13 110.073 175.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -99.88 145.14 28.13 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.004 -0.544 . . . . 3.84 110.285 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 23.7 mm -101.72 105.88 18.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.168 -0.469 . . . . 1.23 111.031 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -67.59 -41.74 83.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.861 -0.609 . . . . 1.52 111.324 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -142.52 102.16 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.081 0.467 . . . . 0.71 110.407 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.8 pp -74.06 -17.1 17.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.771 -0.649 . . . . 1.34 112.187 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -71.42 -27.93 63.64 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.733 0.301 . . . . 3.57 111.263 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -82.72 -4.43 57.86 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 120.784 0.326 . . . . 3.59 111.607 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 26.6 mt -101.6 160.09 14.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.503 -0.317 . . . . 1.15 110.464 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -120.32 67.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.067 0.46 . . . . 3.74 110.758 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -158.75 -145.5 4.26 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.754 -0.736 . . . . 1.11 111.939 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -117.39 83.36 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 3.9 110.296 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -123.81 156.33 36.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 1.14 109.865 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.472 ' C ' ' H ' ' A' ' 519' ' ' ASN . 36.4 mtmm -122.36 157.67 31.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.646 -0.252 . . . . 2.47 110.442 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -77.87 37.22 0.23 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.974 0.893 . . . . 2.29 110.729 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.472 ' H ' ' C ' ' A' ' 517' ' ' LYS . 6.5 p30 -166.63 33.58 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.46 -1.245 . . . . 3.24 108.325 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.44 136.26 45.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.265 -0.879 . . . . 1.52 110.797 -171.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -144.87 138.52 27.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.477 -0.783 . . . . 1.12 110.251 176.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.481 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 65.1 mt -121.73 105.24 16.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.418 -0.81 . . . . 1.11 110.194 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.681 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 17.8 tt0 -76.41 122.8 25.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.754 -0.657 . . . . 0.6 110.836 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -141.88 142.34 33.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.231 -0.44 . . . . 0.27 110.218 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.2 m -88.22 129.78 35.26 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.497 -0.557 . . . . 1.71 109.497 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -120.88 115.12 22.62 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.597 -0.441 . . . . 0.27 110.92 -173.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.508 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 9.8 t70 -81.3 113.01 19.13 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.841 -0.8 . . . . 0.58 108.841 173.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.68 -14.08 60.52 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.26 0.467 . . . . 1.09 112.26 -173.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -106.37 -39.4 5.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.588 0.232 . . . . 2.18 111.113 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.57 -51.61 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.233 0.457 . . . . 4.71 112.233 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -69.15 150.06 47.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.391 0.615 . . . . 0.61 111.872 -172.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 77.7 t -128.09 129.6 23.66 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 114.974 -1.012 . . . . 1.1 109.892 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 86.6 Cg_exo -48.67 -52.05 9.26 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.85 2.366 . . . . 0.29 113.065 -174.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.94 -28.95 69.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 2.34 111.576 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.507 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 23.0 t70 -68.57 -46.83 68.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.163 0.506 . . . . 1.09 109.685 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.2 t -62.37 -40.56 88.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.457 -0.792 . . . . 1.08 111.036 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.57 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -65.88 -27.02 67.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.402 -0.363 . . . . 1.01 111.078 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -70.78 -41.93 71.05 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.954 -0.387 . . . . 1.08 109.954 173.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 36.4 mm-40 -58.01 -41.19 82.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.71 -0.677 . . . . 2.07 109.492 174.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 55.8 mtt -58.93 -36.8 75.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.23 -0.895 . . . . 1.05 111.797 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.653 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 59.6 t -69.82 -38.84 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.039 -0.528 . . . . 1.08 110.318 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.4 -34.0 61.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.865 -0.607 . . . . 0.77 111.152 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 35.6 p -74.75 -21.08 59.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.115 -0.493 . . . . 1.71 111.391 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 98.08 17.49 29.66 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.762 -0.732 . . . . 0.54 112.449 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.447 ' HB3' ' CD1' ' A' ' 522' ' ' ILE . 42.5 m-85 -90.94 -44.1 9.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.087 0.47 . . . . 1.08 110.643 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.653 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 85.1 t -120.48 147.29 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.665 -0.698 . . . . 1.05 110.399 -175.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 40.1 t -91.12 142.19 28.02 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.85 -0.796 . . . . 1.24 108.85 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -55.02 -25.01 27.32 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.295 0.85 . . . . 2.72 113.295 -170.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.04 -21.19 78.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.577 -0.821 . . . . 0.32 112.748 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.442 ' O ' ' HG2' ' A' ' 554' ' ' MET . 45.2 m-20 -102.75 15.17 30.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.867 0.365 . . . . 1.23 110.677 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -56.27 -47.3 78.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.3 111.593 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -64.75 -40.64 95.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.377 . . . . 3.4 110.424 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' THR . . . . . 0.413 ' O ' HG22 ' A' ' 485' ' ' VAL . 56.1 m -61.12 -47.5 85.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.617 -0.72 . . . . 1.07 111.211 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.503 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.9 mmt -66.11 -46.99 75.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.132 0.492 . . . . 1.01 110.86 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.45 -33.84 74.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.502 -0.772 . . . . 1.04 111.238 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -66.2 -40.18 90.18 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.386 -0.37 . . . . 2.3 110.186 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.572 ' HB1' ' CG2' ' A' ' 485' ' ' VAL . . . -60.89 -45.23 95.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.38 0.61 . . . . 1.0 110.25 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 554' ' ' MET . 55.6 mt -60.47 -51.46 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 114.86 -1.064 . . . . 1.05 109.963 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.29 -40.42 93.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.765 . . . . 2.69 111.318 -176.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.68 -42.34 98.05 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.138 0.494 . . . . 1.03 110.051 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.655 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 0.4 OUTLIER -65.47 -53.03 48.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.598 . . . . 2.1 110.674 177.003 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.503 HG21 ' O ' ' A' ' 558' ' ' ILE . 92.6 t -55.65 -37.18 45.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.232 -0.44 . . . . 1.05 110.677 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 567' ' ' ARG . 47.6 t -55.47 -56.89 15.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 1.44 110.668 176.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.655 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -66.73 -36.22 81.94 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.868 0.366 . . . . 2.3 110.785 -176.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 63.3 mt -53.77 -52.17 37.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.815 -0.629 . . . . 1.1 110.619 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.567 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 96.3 mttt -69.96 -29.96 67.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.631 -0.713 . . . . 1.39 111.492 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 563' ' ' SER . 34.5 mmt180 -66.47 -35.44 80.29 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.582 0.229 . . . . 3.48 111.256 178.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 564' ' ' LEU . 66.0 mttm -62.32 -27.41 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.593 0.711 . . . . 3.89 109.841 173.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . 0.44 HH21 ' CG ' ' A' ' 493' ' ' ASP . 90.4 mtt180 -90.71 -9.71 45.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.118 -0.946 . . . . 3.62 111.402 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.567 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 12.4 mm-40 -78.48 4.11 14.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 2.16 111.688 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -74.55 -16.46 60.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.639 0.733 . . . . 5.94 109.352 174.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 C--O 1.248 1.009 0 CA-C-N 114.946 -1.025 . . . . 8.81 109.771 178.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.838 -0.505 . . . . 9.82 111.838 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -81.84 137.82 35.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.689 0.28 . . . . 7.34 110.411 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -76.04 -15.91 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.27 0.557 . . . . 11.23 109.533 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -98.28 152.6 38.05 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.23 -0.896 . . . . 7.18 109.638 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -39.48 123.24 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 124.018 3.146 . . . . 7.93 112.895 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -51.37 112.89 0.82 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.655 -0.702 . . . . 8.01 111.61 -175.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.83 114.43 27.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.55 -0.75 . . . . 6.03 109.763 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.39 -21.8 63.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.809 -0.632 . . . . 5.92 110.309 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.405 HG21 ' CG2' ' A' ' 485' ' ' VAL . 2.2 m -82.72 73.45 9.76 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.494 -0.775 . . . . 1.91 109.846 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.406 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -74.09 62.85 2.11 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 115.493 -0.776 . . . . 1.18 113.034 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.583 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -148.68 161.78 5.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 122.861 0.464 . . . . 1.14 110.774 177.092 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -163.2 137.05 5.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.865 -0.607 . . . . 3.43 110.254 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.434 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 50.5 t -112.98 137.62 45.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.903 -0.59 . . . . 1.05 111.191 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.439 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 58.3 mt-10 -134.45 160.58 37.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.291 -0.868 . . . . 2.01 110.719 -176.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.496 ' HG ' ' NH2' ' A' ' 561' ' ' ARG . 74.4 mt -80.26 140.29 36.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.875 -0.602 . . . . 1.12 110.288 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.459 ' HB3' ' CD1' ' A' ' 503' ' ' TRP . . . -86.45 -0.34 55.8 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.75 0.786 . . . . 1.04 109.313 172.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.38 179.49 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.646 -1.161 . . . . 2.02 110.086 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -102.32 76.41 1.56 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.193 -0.458 . . . . 2.36 109.985 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -95.64 117.36 30.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.431 -0.35 . . . . 1.37 110.806 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -142.54 19.41 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.765 -0.652 . . . . 3.38 110.2 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 569' ' ' ARG . . . -119.0 -123.41 3.19 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.114 -1.041 . . . . 2.45 113.014 -174.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -133.87 42.39 2.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.172 0.51 . . . . 3.35 110.299 -175.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -76.82 143.16 39.95 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.509 0.671 . . . . 2.25 110.719 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 30.4 mm -88.83 -30.74 5.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.26 -0.882 . . . . 1.29 110.211 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -128.78 134.02 48.25 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.101 -0.5 . . . . 1.16 110.814 -176.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.422 ' CD1' HD12 ' A' ' 565' ' ' ILE . 11.8 pt -131.24 -177.4 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 115.552 -0.749 . . . . 1.11 110.769 -175.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.442 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 23.1 ttmm -130.75 121.33 25.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.809 -0.632 . . . . 2.28 109.398 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.434 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 42.6 mt -116.65 157.6 25.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.144 -0.48 . . . . 1.3 111.484 -175.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.732 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 38.7 m95 -121.2 120.07 34.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.39 109.971 170.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.581 HD22 ' SD ' ' A' ' 554' ' ' MET . 51.1 tp -81.84 96.14 7.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.717 -0.674 . . . . 1.13 109.802 175.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.443 ' HG2' ' HB1' ' A' ' 521' ' ' ALA . 35.5 mtm105 -85.3 135.75 33.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.085 -0.507 . . . . 3.84 110.249 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 509' ' ' ILE . 30.8 mm -91.41 118.03 35.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.033 -0.53 . . . . 1.23 110.387 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.406 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.2 mm-40 -82.51 -41.99 18.98 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.074 -0.512 . . . . 1.52 111.692 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.585 ' CG ' ' HD3' ' A' ' 511' ' ' LYS . 11.5 t0 -143.63 102.0 3.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.071 0.463 . . . . 0.71 111.078 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 506' ' ' ILE . 2.9 pp -77.52 -6.51 9.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.267 0.84 . . . . 1.34 113.267 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -75.46 -38.54 59.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.478 0.656 . . . . 3.57 109.489 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . 0.585 ' HD3' ' CG ' ' A' ' 508' ' ' ASP . 14.1 mptt -64.82 -35.73 82.05 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.009 -0.996 . . . . 3.59 111.402 177.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.07 144.21 30.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.884 -0.598 . . . . 1.15 110.979 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -112.54 75.93 0.95 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.922 -0.581 . . . . 3.74 110.119 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -167.32 -148.99 5.84 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.492 -0.643 . . . . 1.11 111.492 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.14 101.52 10.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.041 0.448 . . . . 3.9 110.095 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.538 ' HH ' ' HA ' ' A' ' 546' ' ' VAL . 72.9 m-85 -142.21 169.28 17.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.723 -0.672 . . . . 1.14 110.354 -177.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 519' ' ' ASN . 10.1 mtmp? -133.79 154.29 51.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.811 -0.631 . . . . 2.47 109.47 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -76.74 37.11 0.17 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.833 0.825 . . . . 2.29 110.629 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.482 ' H ' ' C ' ' A' ' 517' ' ' LYS . 27.9 p30 -166.66 28.09 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.876 -1.056 . . . . 3.24 109.084 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -97.68 139.77 33.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.306 -0.861 . . . . 1.52 110.817 -172.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.566 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -148.42 125.49 11.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.658 -0.701 . . . . 1.12 110.486 176.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . . . . . . . . . 95.7 mt -105.0 109.06 26.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.283 -0.871 . . . . 1.11 110.568 -178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.732 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 20.2 tt0 -75.51 127.88 34.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.888 -0.597 . . . . 0.6 110.351 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -146.74 140.97 26.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.933 -0.395 . . . . 0.27 109.933 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 28.9 m -87.74 139.62 30.35 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.729 -0.471 . . . . 1.71 109.729 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -130.14 115.66 17.35 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.236 -0.585 . . . . 0.27 111.147 -171.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 531' ' ' ASP . 12.4 t70 -85.46 111.06 19.62 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.239 -1.023 . . . . 0.58 108.239 171.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 71.1 mt -62.99 -15.55 56.63 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.173 -0.467 . . . . 1.09 112.184 -172.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -101.66 -43.87 5.74 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.978 -0.289 . . . . 2.18 111.289 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -88.66 -42.48 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.39 0.515 . . . . 4.71 112.39 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 527' ' ' ASP . 2.4 m-20 -74.67 139.29 43.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.562 0.696 . . . . 0.61 111.906 -173.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 96.8 t -114.57 127.25 27.01 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 114.727 -1.124 . . . . 1.1 108.259 174.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.429 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 34.2 Cg_exo -60.07 -37.24 85.67 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.878 2.386 . . . . 0.29 112.526 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -63.53 -36.53 84.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.125 -0.489 . . . . 2.34 110.619 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.576 ' O ' ' HG3' ' A' ' 539' ' ' GLU . 22.9 t70 -70.73 -42.14 70.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.843 -0.429 . . . . 1.09 109.843 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.414 ' HA ' ' OE1' ' A' ' 539' ' ' GLU . 99.3 t -57.91 -48.99 82.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 1.08 110.248 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.565 ' O ' HG22 ' A' ' 541' ' ' VAL . . . -64.32 -18.81 64.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 1.01 111.029 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.577 ' HA ' HE21 ' A' ' 538' ' ' GLN . 0.0 OUTLIER -81.65 -41.52 21.3 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.28 -0.637 . . . . 1.08 109.28 176.414 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 535' ' ' ASP . 21.1 mt-10 -57.88 -41.17 81.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.743 -0.836 . . . . 2.07 108.743 173.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.451 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 54.7 mtt -54.59 -42.47 71.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.409 -1.269 . . . . 1.05 111.145 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.0 t -68.99 -47.79 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.162 -0.472 . . . . 1.08 110.794 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 44.1 mt-10 -63.7 -34.54 78.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.942 -0.572 . . . . 0.77 111.718 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 45.6 m -89.53 7.2 37.44 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.895 0.332 . . . . 1.71 111.895 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 85.78 9.71 77.43 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.882 -0.675 . . . . 0.54 114.079 172.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -82.08 -55.59 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.263 0.554 . . . . 1.08 110.672 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.632 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 79.4 t -111.54 149.08 14.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.514 -0.767 . . . . 1.05 110.954 -173.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 51.8 t -85.94 141.75 29.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.007 -0.542 . . . . 1.24 109.642 175.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.98 -20.43 63.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.64 -0.709 . . . . 2.72 112.329 -173.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -77.78 -17.36 78.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.583 -0.818 . . . . 0.32 112.361 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 554' ' ' MET . 7.3 m-20 -116.76 25.53 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.452 0.644 . . . . 1.23 110.509 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -58.01 -44.27 87.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.944 -1.026 . . . . 0.3 110.479 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -66.54 -41.79 88.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 3.4 110.865 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 20.8 m -56.72 -46.15 81.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.844 -0.616 . . . . 1.07 110.882 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.584 ' O ' HG13 ' A' ' 558' ' ' ILE . 22.6 mmt -68.62 -48.69 63.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.703 -0.68 . . . . 1.01 110.917 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.38 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.89 -0.595 . . . . 1.04 111.143 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.472 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 10.7 tmtt? -66.98 -44.4 80.52 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.415 -0.587 . . . . 2.3 109.415 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.583 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -58.17 -45.69 87.05 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.28 0.562 . . . . 1.0 110.141 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' ' 554' ' ' MET . 40.0 mt -62.04 -48.0 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.112 -0.949 . . . . 1.05 109.978 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -63.16 -38.66 92.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.654 -0.703 . . . . 2.69 110.972 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.54 -40.81 97.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.03 110.462 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.688 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.2 tpt180 -73.36 -45.48 54.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.825 -0.625 . . . . 2.1 110.51 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 558' ' ' ILE . 71.0 t -59.91 -36.28 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.652 -0.249 . . . . 1.05 110.961 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 28.6 t -56.36 -49.9 73.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.114 -0.494 . . . . 1.44 110.56 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -72.29 -38.3 68.8 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.533 -0.303 . . . . 2.3 110.313 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.422 HD12 ' CD1' ' A' ' 500' ' ' ILE . 70.6 mt -55.11 -54.36 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 1.1 111.387 175.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -60.06 -35.86 76.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.889 -0.596 . . . . 1.39 110.88 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.557 ' O ' ' HD3' ' A' ' 567' ' ' ARG . 0.0 OUTLIER -71.66 -34.26 69.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.061 0.458 . . . . 3.48 109.905 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -66.66 -28.9 68.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 3.89 110.584 175.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' A' ' 495' ' ' GLY . 38.9 mtm180 -65.92 -24.6 66.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.686 -0.688 . . . . 3.62 110.499 175.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 567' ' ' ARG . 15.9 mt-10 -86.16 -11.2 53.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.55 -0.75 . . . . 2.16 109.751 178.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -100.6 89.42 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.576 -0.738 . . . . 5.94 110.486 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.478 -0.772 . . . . 8.81 109.916 178.293 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 112.151 -0.379 . . . . 9.82 112.151 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -91.07 -31.87 16.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.575 0.226 . . . . 7.34 111.419 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 15.1 tpt 68.89 -72.82 0.1 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.385 0.674 . . . . 11.23 111.325 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 5.9 p-10 -81.15 135.14 51.27 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.333 -0.617 . . . . 7.18 109.333 177.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 95.5 Cg_exo -48.3 82.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 124.646 3.564 . . . . 7.93 114.938 -175.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -120.55 -9.91 9.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.905 -0.588 . . . . 8.01 109.923 174.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 56.83 77.4 0.26 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.153 -0.93 . . . . 6.03 110.82 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . 0.424 ' HG3' ' NH2' ' A' ' 486' ' ' ARG . 32.3 tt0 -85.09 114.58 22.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.313 0.578 . . . . 5.92 109.812 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.504 ' C ' ' H ' ' A' ' 485' ' ' VAL . 2.7 m -60.47 163.2 5.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.928 -1.033 . . . . 1.91 110.485 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -73.74 34.76 0.86 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 121.151 -0.547 . . . . 1.18 112.932 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.546 ' CG2' ' HB1' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -155.53 153.9 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 C-N-CA 124.143 0.977 . . . . 1.14 108.926 177.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.424 ' NH2' ' HG3' ' A' ' 482' ' ' GLU . 8.6 tpp180 -164.91 143.18 6.48 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.707 -0.479 . . . . 3.43 109.707 177.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.638 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 65.3 t -109.26 136.82 43.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.046 0.451 . . . . 1.05 111.474 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.577 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 73.3 mm-40 -121.4 159.66 25.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.29 -0.868 . . . . 2.01 109.839 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.5 ' HG ' ' NH2' ' A' ' 561' ' ' ARG . 68.9 mt -81.67 139.01 35.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.189 -0.46 . . . . 1.12 109.971 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -82.35 -20.73 36.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.527 0.679 . . . . 1.04 109.796 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.65 -169.27 2.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.076 -0.966 . . . . 2.02 109.132 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -105.94 89.25 3.02 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.858 -0.337 . . . . 2.36 110.485 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -67.65 105.9 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 1.37 111.016 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -131.68 -14.67 3.18 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.719 -0.673 . . . . 3.38 110.668 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -90.59 4.21 82.02 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.053 -0.594 . . . . 2.45 113.701 -172.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 569' ' ' ARG . 44.9 mt-10 59.81 48.7 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 122.215 1.007 . . . . 3.35 109.445 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -68.52 147.09 52.49 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 113.52 -1.673 . . . . 2.25 110.736 -176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . 0.47 HG23 ' CB ' ' A' ' 529' ' ' GLU . 16.0 mm -79.39 -24.09 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-O 121.383 0.611 . . . . 1.29 109.642 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -137.31 127.64 26.41 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.47 -0.786 . . . . 1.16 110.469 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 14.0 pt -126.82 -178.1 2.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.017 -0.538 . . . . 1.11 111.335 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -123.83 115.78 21.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 2.28 109.422 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.638 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 57.6 mt -115.32 159.77 20.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.0 -0.546 . . . . 1.3 111.239 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.684 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 38.3 m95 -122.61 125.31 45.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.731 0.301 . . . . 0.39 110.5 169.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.629 HD21 ' SD ' ' A' ' 554' ' ' MET . 23.8 tp -81.46 98.71 8.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.22 -0.446 . . . . 1.13 110.263 176.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -84.31 137.04 33.66 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 120.837 -0.345 . . . . 3.84 110.449 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 509' ' ' ILE . 27.8 mm -90.41 108.87 20.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.904 -0.589 . . . . 1.23 109.441 173.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -79.76 -38.2 33.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.273 -0.421 . . . . 1.52 110.842 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -151.47 111.3 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.095 -0.502 . . . . 0.71 110.125 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.467 HG23 HG23 ' A' ' 506' ' ' ILE . 2.1 pp -74.66 -11.6 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.48 0.548 . . . . 1.34 112.48 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . 0.514 ' HZ1' ' HB3' ' A' ' 510' ' ' LYS . 3.4 mmmp? -76.48 -22.04 55.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.366 0.603 . . . . 3.57 110.247 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -73.95 -18.37 60.89 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.516 -0.765 . . . . 3.59 110.754 174.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 27.8 mt -102.05 151.91 21.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.772 -0.649 . . . . 1.15 111.6 -172.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -89.97 -26.48 20.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.256 -0.884 . . . . 3.74 110.464 -176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -84.18 -166.31 40.58 Favored Glycine 0 C--N 1.317 -0.515 0 CA-C-N 115.404 -0.816 . . . . 1.11 112.578 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -111.58 110.85 21.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 3.9 110.373 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.78 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 16.3 m-85 -132.49 169.1 17.04 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.115 -0.698 . . . . 1.14 109.115 -179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.437 ' C ' ' H ' ' A' ' 519' ' ' ASN . 35.0 mtmm -98.95 139.82 34.04 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.632 -0.507 . . . . 2.47 109.632 175.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.64 37.52 0.53 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.826 0.822 . . . . 2.29 110.64 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.437 ' H ' ' C ' ' A' ' 517' ' ' LYS . 31.7 p30 -167.03 26.04 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.379 -1.282 . . . . 3.24 108.947 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 13.0 tt0 -111.34 143.81 41.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.113 -0.949 . . . . 1.52 111.102 -171.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.46 140.01 44.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.849 -0.614 . . . . 1.12 110.631 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 545' ' ' TYR . 96.8 mt -108.75 107.83 23.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.22 -0.9 . . . . 1.11 110.601 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.1 tt0 -68.3 129.03 38.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 0.6 110.877 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . 0.489 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 40.1 p90 -146.21 142.76 28.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.405 -0.362 . . . . 0.27 110.072 176.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.4 m -84.57 143.2 29.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.17 -0.678 . . . . 1.71 109.17 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -131.93 115.76 16.28 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 119.722 -0.791 . . . . 0.27 110.918 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.67 102.28 12.83 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.227 -1.027 . . . . 0.58 108.227 171.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.93 -18.37 60.05 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.417 0.627 . . . . 1.09 111.363 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.47 ' CB ' HG23 ' A' ' 498' ' ' ILE . 33.8 tt0 -93.24 -43.32 8.88 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.125 -0.943 . . . . 2.18 111.058 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -97.44 -46.65 5.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.898 0.703 . . . . 4.71 112.898 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.6 146.77 46.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.747 0.784 . . . . 0.61 112.431 -171.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 89.4 t -117.08 135.04 22.97 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.535 -1.211 . . . . 1.1 108.681 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.36 -36.84 70.41 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.466 2.777 . . . . 0.29 112.971 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -71.28 -33.07 69.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.452 -0.34 . . . . 2.34 111.235 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 27.1 t70 -69.69 -43.92 71.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.048 0.451 . . . . 1.09 110.081 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.8 t -63.88 -42.07 94.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.714 -0.676 . . . . 1.08 110.629 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.587 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -64.73 -26.76 68.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.511 -0.313 . . . . 1.01 110.582 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.472 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 9.1 mm100 -66.79 -45.81 77.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.43 -0.35 . . . . 1.08 110.236 173.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 29.0 mm-40 -59.15 -40.58 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 2.07 109.676 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.462 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 55.8 mtt -55.3 -46.09 76.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.001 -1.0 . . . . 1.05 110.954 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.671 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 64.7 t -65.6 -49.93 74.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 1.08 111.069 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.19 -36.5 84.25 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.131 0.419 . . . . 0.77 112.131 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 54.0 m -81.94 -8.76 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.657 -0.417 . . . . 1.71 111.7 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 94.79 9.43 58.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.592 -0.813 . . . . 0.54 113.773 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.457 ' HB3' HD12 ' A' ' 522' ' ' ILE . 82.5 m-85 -77.75 -43.5 30.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.294 0.568 . . . . 1.08 110.102 177.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.671 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 81.9 t -122.84 147.85 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.102 -0.954 . . . . 1.05 110.308 -175.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.78 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 41.4 t -83.69 145.12 28.94 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.314 -0.625 . . . . 1.24 109.314 174.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.17 -26.23 60.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 2.72 111.1 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -71.2 -15.75 74.8 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.985 -0.626 . . . . 0.32 112.462 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.472 ' O ' ' HG2' ' A' ' 554' ' ' MET . 68.4 m-20 -109.56 11.79 24.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.604 0.24 . . . . 1.23 111.056 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . 0.446 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 45.6 t-80 -56.98 -50.91 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.38 . . . . 0.3 111.57 -177.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.18 -33.14 75.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.207 0.527 . . . . 3.4 110.489 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 33.0 m -67.63 -47.23 70.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.227 -0.897 . . . . 1.07 111.001 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.629 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.3 mmt -67.92 -42.1 81.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 1.01 110.786 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.71 -33.73 70.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.625 -0.716 . . . . 1.04 110.561 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -69.02 -44.96 71.7 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.924 -0.58 . . . . 2.3 110.582 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.546 ' HB1' ' CG2' ' A' ' 485' ' ' VAL . . . -57.9 -46.02 85.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.35 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.489 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 80.2 mt -61.65 -50.76 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.284 -0.871 . . . . 1.05 110.259 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -57.98 -44.11 86.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.981 -0.554 . . . . 2.69 111.287 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -56.7 -47.81 79.08 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.826 0.346 . . . . 1.03 111.167 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.647 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.1 tpt180 -68.09 -44.44 76.24 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.82 -0.352 . . . . 2.1 110.101 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.466 ' CG1' ' HE3' ' A' ' 566' ' ' LYS . 75.4 t -60.47 -34.62 58.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.141 -0.481 . . . . 1.05 111.089 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 71.1 m -62.03 -44.76 96.01 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 111.639 0.237 . . . . 1.44 111.639 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -74.91 -31.8 61.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.347 0.594 . . . . 2.3 110.472 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.404 ' CD1' ' HG3' ' A' ' 561' ' ' ARG . 78.1 mt -63.07 -51.94 65.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.323 -0.853 . . . . 1.1 111.136 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.466 ' HE3' ' CG1' ' A' ' 562' ' ' VAL . 97.3 mttt -64.12 -22.65 67.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.894 -0.593 . . . . 1.39 111.338 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.514 ' HB3' ' O ' ' A' ' 564' ' ' LEU . 22.4 tpt180 -55.91 -28.9 58.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.257 -0.429 . . . . 3.48 110.846 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -79.14 -28.86 42.88 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.779 0.323 . . . . 3.89 110.293 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 496' ' ' GLU . 11.5 mpt_? -70.97 -22.08 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 3.62 111.218 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -72.15 59.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 2.16 111.812 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -85.67 145.7 27.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.245 -0.434 . . . . 5.94 110.856 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.858 -0.591 . . . . 8.81 109.563 179.333 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.704 -0.558 . . . . 9.82 111.704 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . 55.56 57.83 5.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.012 0.434 . . . . 7.34 111.497 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.55 -51.42 62.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 11.23 110.346 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 4.9 p-10 -88.5 134.35 34.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.137 -0.483 . . . . 7.18 109.969 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 36.0 Cg_exo -60.72 92.98 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 123.218 2.612 . . . . 7.93 112.352 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -130.87 -63.59 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.579 . . . . 8.01 109.585 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 483' ' ' THR . 9.1 tp10 61.2 96.42 0.03 OUTLIER 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.181 -0.918 . . . . 6.03 110.549 -177.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.37 -33.87 76.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.659 -0.7 . . . . 5.92 109.587 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 481' ' ' GLU . 0.2 OUTLIER -67.98 125.43 26.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.556 -0.747 . . . . 1.91 110.154 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -82.26 38.31 2.59 Favored Glycine 0 N--CA 1.455 -0.083 0 C-N-CA 120.524 -0.845 . . . . 1.18 113.234 -176.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.515 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.7 OUTLIER -148.65 155.75 8.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 122.712 0.405 . . . . 1.14 110.144 177.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.694 ' HD2' ' C ' ' A' ' 486' ' ' ARG . 2.0 tmm_? -164.8 136.21 4.24 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.327 -0.852 . . . . 3.43 109.05 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.533 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 65.0 t -109.24 136.54 44.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.659 -0.7 . . . . 1.05 111.169 -176.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -120.71 163.61 17.83 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.142 -0.936 . . . . 2.01 110.012 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.449 HD11 ' HB3' ' A' ' 493' ' ' ASP . 66.7 mt -83.69 149.5 26.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.953 -0.567 . . . . 1.12 110.687 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.563 ' HB1' ' CD1' ' A' ' 503' ' ' TRP . . . -92.73 -2.0 56.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.69 -0.687 . . . . 1.04 110.074 174.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -152.37 -177.87 6.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.925 -1.034 . . . . 2.02 109.629 -172.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -94.02 81.28 4.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.145 0.498 . . . . 2.36 110.6 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . 0.449 ' HB3' HD11 ' A' ' 489' ' ' LEU . 22.3 t70 -73.86 111.56 9.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.796 -0.638 . . . . 1.37 110.518 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -168.3 25.61 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.214 0.531 . . . . 3.38 109.816 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -126.26 -124.92 2.81 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.426 -0.893 . . . . 2.45 112.22 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -126.51 29.65 5.71 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.828 0.347 . . . . 3.35 111.253 -173.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -81.09 128.64 33.96 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.11 0.481 . . . . 2.25 110.277 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 21.6 mm -86.59 -32.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.456 -0.793 . . . . 1.29 109.747 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -112.4 122.75 48.6 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.448 -0.796 . . . . 1.16 110.278 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' A' ' 565' ' ' ILE . 12.5 pt -116.94 175.61 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.524 -0.762 . . . . 1.11 111.264 -173.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.489 ' HD2' ' CG ' ' A' ' 523' ' ' GLU . 4.5 tppp? -119.89 118.66 31.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.654 -0.703 . . . . 2.28 109.888 176.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.533 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 48.5 mt -117.18 158.2 24.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.879 -0.6 . . . . 1.3 110.94 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.714 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.3 m95 -125.4 117.36 23.53 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.651 -0.5 . . . . 0.39 109.651 170.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.581 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 38.0 tp -73.4 107.33 5.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 1.13 110.49 178.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.488 ' HA ' ' O ' ' A' ' 520' ' ' GLU . 60.8 mtt180 -98.19 129.01 44.96 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.192 -0.458 . . . . 3.84 110.59 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.402 HG22 HG21 ' A' ' 509' ' ' ILE . 21.0 mm -82.75 114.47 23.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.065 -0.717 . . . . 1.23 109.065 174.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.36 -37.39 57.34 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.846 -0.616 . . . . 1.52 110.569 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.466 ' OD1' ' HB2' ' A' ' 510' ' ' LYS . 16.0 t70 -150.26 109.69 3.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.515 -0.766 . . . . 0.71 109.237 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.402 HG21 HG22 ' A' ' 506' ' ' ILE . 2.3 pp -73.89 -17.16 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.959 0.409 . . . . 1.34 111.028 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . 0.466 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 33.2 mmtp -70.99 -28.67 64.61 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.227 0.536 . . . . 3.57 110.078 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -66.97 -18.04 65.2 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.41 -0.814 . . . . 3.59 111.178 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 19.4 mt -103.89 163.29 12.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.087 -0.506 . . . . 1.15 110.724 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -105.57 7.62 32.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.011 -0.541 . . . . 3.74 110.093 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -102.79 -175.14 26.87 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.616 -0.72 . . . . 1.11 111.673 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.54 ' HD2' ' N ' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -110.87 109.92 20.3 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.728 -0.471 . . . . 3.9 109.728 -178.791 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.422 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 78.6 m-85 -137.05 152.27 49.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.885 0.374 . . . . 1.14 110.824 -175.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.516 ' C ' ' H ' ' A' ' 519' ' ' ASN . 55.1 mtpt -74.44 144.9 44.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.728 -0.669 . . . . 2.47 109.765 174.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -78.9 36.54 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.171 0.986 . . . . 2.29 110.179 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 517' ' ' LYS . 3.2 t-20 -168.9 27.52 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.36 -1.291 . . . . 3.24 108.238 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . 0.488 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 5.4 tp10 -84.04 132.37 34.73 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.365 -0.834 . . . . 1.52 110.57 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.581 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.64 111.95 9.8 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.441 -0.8 . . . . 1.12 110.189 176.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.493 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 63.1 mt -97.13 106.69 18.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 114.601 -1.181 . . . . 1.11 110.688 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.714 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.2 tt0 -68.81 132.86 47.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.307 -0.406 . . . . 0.6 111.022 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . 0.52 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 37.2 p90 -151.21 145.78 25.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.065 -0.516 . . . . 0.27 110.189 175.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 52.1 m -90.81 142.01 28.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.965 -0.383 . . . . 1.71 109.965 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -131.2 115.37 16.26 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.51 -0.476 . . . . 0.27 110.681 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.446 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 11.3 t70 -84.34 113.46 21.17 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.544 -0.91 . . . . 0.58 108.544 171.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.33 -22.85 66.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.946 -0.57 . . . . 1.09 112.188 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -103.03 -29.14 11.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.74 0.305 . . . . 2.18 111.575 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -106.98 -44.04 4.5 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.785 0.661 . . . . 4.71 112.785 -174.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.12 150.24 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.174 0.511 . . . . 0.61 111.549 -175.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 71.7 t -120.4 133.07 23.96 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.406 -0.815 . . . . 1.1 109.914 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.526 ' HG2' ' HG2' ' A' ' 559' ' ' LYS . 36.3 Cg_exo -55.27 -41.15 81.23 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.507 2.804 . . . . 0.29 112.78 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -71.53 -32.88 68.66 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.236 -0.438 . . . . 2.34 110.908 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.436 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 20.1 t70 -69.13 -47.52 64.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.301 -0.408 . . . . 1.09 110.112 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.477 HG12 ' CD2' ' A' ' 524' ' ' PHE . 100.0 t -59.46 -41.7 85.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 1.08 110.851 178.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -66.36 -25.73 66.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 1.01 110.958 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -75.46 -40.34 57.57 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.716 0.293 . . . . 1.08 110.268 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 49.4 mm-40 -57.31 -40.84 78.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.343 -0.614 . . . . 2.07 109.343 172.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.447 ' HB2' ' O ' ' A' ' 537' ' ' ALA . 56.1 mtt -55.58 -45.38 77.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.022 -0.99 . . . . 1.05 110.975 175.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 537' ' ' ALA . 93.6 t -65.23 -51.17 68.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.839 -0.619 . . . . 1.08 111.217 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.54 -33.01 74.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.77 111.822 -175.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.7 m -83.39 -2.08 54.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.708 0.29 . . . . 1.71 111.435 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 84.97 28.79 30.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.797 -0.716 . . . . 0.54 113.13 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.488 ' HB3' HD12 ' A' ' 522' ' ' ILE . 64.0 m-85 -98.45 -51.02 4.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.152 0.501 . . . . 1.08 110.601 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 71.6 t -115.93 150.15 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.315 -0.857 . . . . 1.05 110.83 -172.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.1 t -83.92 141.08 31.53 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.205 -0.665 . . . . 1.24 109.205 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -14.06 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.783 0.66 . . . . 2.72 112.783 -173.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -90.86 -13.95 58.59 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.504 -0.855 . . . . 0.32 112.499 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.44 ' O ' ' HG2' ' A' ' 554' ' ' MET . 15.9 m-20 -108.45 19.56 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.422 0.629 . . . . 1.23 110.128 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -60.28 -47.15 87.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.199 -0.909 . . . . 0.3 110.983 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -56.28 -41.5 75.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 3.4 110.959 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 35.4 m -65.69 -44.68 85.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 1.07 111.166 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.58 ' SD ' HD22 ' A' ' 504' ' ' LEU . 23.6 mmt -69.59 -45.5 68.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 1.01 111.18 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.92 74.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 1.04 110.48 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -65.4 -42.27 92.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.402 -0.817 . . . . 2.3 110.519 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.515 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -62.1 -45.53 93.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.218 0.532 . . . . 1.0 110.488 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 86.1 mt -61.77 -49.41 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 115.294 -0.866 . . . . 1.05 110.424 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 1.8 tmtt? -64.53 -44.26 91.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.706 -0.679 . . . . 2.69 110.467 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.3 -50.5 64.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.126 -0.488 . . . . 1.03 111.238 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.645 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 6.7 tpt180 -64.17 -47.84 78.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.08 -0.509 . . . . 2.1 110.657 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 558' ' ' ILE . 77.8 t -56.5 -32.97 37.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.764 -0.653 . . . . 1.05 111.294 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 53.5 m -64.48 -43.87 92.79 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 111.959 0.355 . . . . 1.44 111.959 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.1 pp -74.5 -32.3 62.48 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.618 0.723 . . . . 2.3 109.952 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' A' ' 500' ' ' ILE . 72.9 mt -61.43 -47.28 94.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 114.92 -1.036 . . . . 1.1 111.069 173.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.476 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 94.6 mttt -70.48 -26.9 63.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 1.39 111.001 177.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.427 ' HB3' ' O ' ' A' ' 564' ' ' LEU . 24.2 tpt180 -55.23 -32.06 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 3.48 110.34 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 84.5 mttt -62.86 -59.71 4.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.639 -0.71 . . . . 3.89 109.311 173.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -52.15 -40.89 62.04 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.287 -0.87 . . . . 3.62 112.169 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 22.0 mm-40 -55.36 -30.0 59.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.842 -0.617 . . . . 2.16 112.619 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -123.66 29.55 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.78 -0.368 . . . . 5.94 111.813 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 93.3 mtt180 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.362 -0.828 . . . . 8.81 110.235 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.908 -0.477 . . . . 9.82 111.908 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.453 ' HA ' ' HB3' ' A' ' 481' ' ' GLU . . . 61.18 58.33 2.24 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.095 0.474 . . . . 7.34 111.423 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -73.48 -29.83 62.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.993 -0.549 . . . . 11.23 109.943 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -105.32 140.72 21.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.867 -0.606 . . . . 7.18 109.593 173.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -38.97 -59.25 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 124.715 3.61 . . . . 7.93 115.242 -173.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -93.61 23.33 4.74 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 112.307 0.484 . . . . 8.01 112.307 -171.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.453 ' HB3' ' HA ' ' A' ' 476' ' ' ALA . 0.7 OUTLIER -80.77 77.94 7.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.817 0.818 . . . . 6.03 108.827 173.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -115.76 -60.64 1.85 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.649 -1.16 . . . . 5.92 109.552 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 5.1 m -132.34 133.26 43.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.421 -0.809 . . . . 1.91 109.223 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.443 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -78.74 40.02 2.02 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 121.36 -0.448 . . . . 1.18 113.653 -174.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.582 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -153.41 159.37 3.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 123.1 0.56 . . . . 1.14 109.607 177.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.448 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 15.5 tpp180 -159.09 131.7 6.84 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.366 0.603 . . . . 3.43 110.289 177.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.58 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 46.4 t -104.13 137.1 34.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.411 -0.813 . . . . 1.05 110.714 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.536 ' OE2' ' HD2' ' A' ' 505' ' ' ARG . 44.5 mt-10 -129.46 158.1 40.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.625 -0.716 . . . . 2.01 110.517 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 502' ' ' LEU . 76.3 mt -77.3 137.58 38.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.835 -0.621 . . . . 1.12 110.664 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.423 ' HB3' ' CD1' ' A' ' 503' ' ' TRP . . . -81.03 -18.32 47.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.41 0.624 . . . . 1.04 110.221 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.428 ' OE2' ' HE2' ' A' ' 497' ' ' LYS . 10.0 pt-20 -141.5 168.65 19.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.277 -0.874 . . . . 2.02 109.776 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.43 115.21 14.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.215 -0.448 . . . . 2.36 110.254 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -106.79 95.24 5.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.187 0.518 . . . . 1.37 111.405 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -141.04 1.43 1.64 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.725 -0.671 . . . . 3.38 110.208 173.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -92.25 18.44 54.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.986 -0.626 . . . . 2.45 112.801 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 56.51 45.15 22.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.884 0.849 . . . . 3.35 109.981 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.428 ' HE2' ' OE2' ' A' ' 491' ' ' GLU . 21.7 mtpp -71.68 138.34 48.52 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.555 -1.202 . . . . 2.25 110.66 -175.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 25.2 mm -81.33 -32.47 12.09 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.628 0.728 . . . . 1.29 109.475 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -126.02 121.99 34.57 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.033 -0.985 . . . . 1.16 110.524 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 565' ' ' ILE . 10.5 pt -118.25 -174.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.572 -0.74 . . . . 1.11 110.805 -174.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 30.2 ttpt -136.84 122.26 19.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.826 -0.625 . . . . 2.28 109.952 177.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.58 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 28.1 mt -119.83 159.13 25.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.502 -0.772 . . . . 1.3 110.967 -172.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.701 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.1 m95 -121.95 121.35 36.87 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.764 -0.458 . . . . 0.39 109.764 169.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.606 HD23 ' SD ' ' A' ' 554' ' ' MET . 60.7 tp -78.88 96.19 5.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.123 -0.489 . . . . 1.13 109.992 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.536 ' HD2' ' OE2' ' A' ' 488' ' ' GLU . 43.7 mtt180 -90.85 123.62 34.53 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.788 -0.642 . . . . 3.84 110.43 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 18.8 mm -79.13 122.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 1.23 110.175 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.443 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 6.9 mm-40 -86.12 -47.24 9.69 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.025 -0.534 . . . . 1.52 110.765 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.451 ' OD1' ' HG2' ' A' ' 511' ' ' LYS . 12.8 t70 -134.45 105.63 6.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.315 -0.402 . . . . 0.71 110.188 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.39 -9.23 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 1.34 111.888 -177.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . 0.405 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 35.5 mmtp -81.86 -29.92 32.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 3.57 110.375 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . 0.451 ' HG2' ' OD1' ' A' ' 508' ' ' ASP . 74.2 mmtt -68.8 -10.8 58.79 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.865 -0.607 . . . . 3.59 110.954 176.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 15.8 mt -111.34 156.21 21.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 1.15 110.649 -175.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -102.06 -16.13 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 3.74 111.157 -175.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -78.23 -154.73 7.48 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.752 -0.737 . . . . 1.11 113.147 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 105.17 12.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.714 -0.476 . . . . 3.9 109.714 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -136.73 149.09 47.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.987 0.422 . . . . 1.14 110.53 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.435 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 49.3 mtmt -101.15 157.17 16.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.978 -0.555 . . . . 2.47 109.949 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -80.52 17.77 1.04 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.494 0.664 . . . . 2.29 111.73 -173.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.417 ' H ' ' C ' ' A' ' 517' ' ' LYS . 47.5 m-80 -149.04 22.25 0.97 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.873 -1.058 . . . . 3.24 109.073 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . 0.435 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 16.0 tt0 -97.04 139.64 32.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 1.52 110.966 -173.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.521 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -143.55 132.13 22.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.199 -0.91 . . . . 1.12 110.529 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.49 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 89.4 mt -103.99 104.31 16.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-N 115.418 -0.81 . . . . 1.11 110.654 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.701 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 25.2 tt0 -71.25 128.49 36.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.6 110.399 178.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -149.41 140.95 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.174 -0.466 . . . . 0.27 109.982 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.484 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 8.9 p -83.44 150.13 26.23 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.678 -0.49 . . . . 1.71 109.678 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -137.02 114.86 11.34 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.052 -0.659 . . . . 0.27 110.955 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.18 110.13 18.28 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.581 -0.896 . . . . 0.58 108.581 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.453 ' CD2' HG13 ' A' ' 562' ' ' VAL . 86.4 mt -63.57 -20.03 65.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.154 -0.475 . . . . 1.09 112.113 -172.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -96.47 -46.97 6.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.433 -0.349 . . . . 2.18 111.586 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -90.04 -38.24 13.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.053 0.761 . . . . 4.71 113.053 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -83.59 152.93 24.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.493 0.663 . . . . 0.61 112.041 -172.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 76.0 t -126.93 131.89 24.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.086 -0.961 . . . . 1.1 109.718 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -54.2 -39.5 86.07 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.574 2.849 . . . . 0.29 113.648 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.03 -25.26 59.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.667 0.27 . . . . 2.34 111.198 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -72.51 -48.04 43.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.412 0.625 . . . . 1.09 109.703 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.48 -40.67 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.164 -0.925 . . . . 1.08 111.169 -177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.594 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.28 -17.3 64.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.367 . . . . 1.01 111.216 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -78.05 -40.7 37.91 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 110.129 -0.323 . . . . 1.08 110.129 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -57.19 -41.7 79.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.997 -0.742 . . . . 2.07 108.997 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.429 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 56.2 mtt -55.14 -42.09 72.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.844 -1.071 . . . . 1.05 111.335 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.642 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.6 t -70.2 -46.76 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 1.08 111.039 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.09 -34.62 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.77 111.636 -175.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 23.4 m -75.6 -9.6 58.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.66 0.267 . . . . 1.71 111.431 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 92.25 16.01 51.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.54 113.041 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.436 ' HB3' ' CD1' ' A' ' 522' ' ' ILE . 44.2 m-85 -90.97 -52.44 4.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.344 0.592 . . . . 1.08 110.889 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.642 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 73.2 t -111.64 148.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.463 -0.79 . . . . 1.05 110.484 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.0 t -82.16 140.49 33.72 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.244 -0.65 . . . . 1.24 109.244 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.456 ' HB2' HG13 ' A' ' 541' ' ' VAL . 13.3 tm-20 -56.32 -32.33 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 2.72 110.694 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.92 -32.65 84.91 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.7 -0.762 . . . . 0.32 112.216 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -89.16 7.88 32.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.367 . . . . 1.23 111.026 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -54.99 -39.4 68.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.04 -0.527 . . . . 0.3 111.376 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . 0.481 ' HD3' ' H ' ' A' ' 552' ' ' LYS . 0.1 OUTLIER -66.72 -43.61 83.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.04 0.447 . . . . 3.4 110.483 -177.251 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 59.3 m -65.1 -44.98 87.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.312 -0.858 . . . . 1.07 111.051 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.606 ' SD ' HD23 ' A' ' 504' ' ' LEU . 22.4 mmt -67.41 -47.03 71.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.963 -0.562 . . . . 1.01 110.938 -177.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.79 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 1.04 110.753 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.448 ' O ' ' HD2' ' A' ' 556' ' ' LYS . 0.0 OUTLIER -72.78 -37.6 67.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.379 -0.6 . . . . 2.3 109.379 177.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.582 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.61 -46.93 88.4 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.17 0.509 . . . . 1.0 109.844 174.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.592 HG13 ' O ' ' A' ' 554' ' ' MET . 59.1 mt -59.89 -53.62 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 114.997 -1.001 . . . . 1.05 110.026 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -61.03 -40.35 93.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.849 -0.614 . . . . 2.69 111.032 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . 0.401 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 9.2 t0 -54.96 -52.83 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 1.03 110.296 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 561' ' ' ARG . 16.1 tpt180 -67.16 -47.78 69.98 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.407 -0.815 . . . . 2.1 110.813 -178.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 558' ' ' ILE . 79.2 t -58.15 -39.34 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.969 -0.559 . . . . 1.05 111.394 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.0 t -62.06 -40.93 97.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.263 -0.426 . . . . 1.44 110.217 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 76.2 mt -68.79 -38.97 80.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.387 0.613 . . . . 2.3 110.319 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.463 HD11 ' CD1' ' A' ' 500' ' ' ILE . 81.3 mt -60.09 -44.16 94.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.121 -0.945 . . . . 1.1 110.967 176.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -71.35 -33.27 69.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.584 -0.735 . . . . 1.39 110.984 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.44 ' O ' ' HD3' ' A' ' 567' ' ' ARG . 0.1 OUTLIER -63.59 -34.55 78.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.667 -0.494 . . . . 3.48 109.667 177.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.84 -40.54 93.24 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.876 -0.602 . . . . 3.89 109.859 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -70.5 -23.81 62.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.866 -0.606 . . . . 3.62 112.343 177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -76.27 -11.72 59.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.186 0.517 . . . . 2.16 110.666 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -128.84 -160.26 1.02 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.564 -0.902 . . . . 5.94 108.564 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.487 -0.768 . . . . 8.81 110.252 176.441 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 112.646 -0.181 . . . . 9.82 112.646 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -176.87 179.73 1.03 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.016 -0.735 . . . . 7.34 109.016 177.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 60.7 ttp -70.9 -59.45 2.79 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.343 -0.984 . . . . 11.23 108.343 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -72.99 142.85 83.33 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.885 -1.052 . . . . 7.18 109.596 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.67 54.01 0.07 OUTLIER 'Trans proline' 0 N--CA 1.48 0.713 0 C-N-CA 124.396 3.397 . . . . 7.93 114.438 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -130.82 57.43 1.74 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.207 -0.664 . . . . 8.01 109.207 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 481' ' ' GLU . 3.7 mp0 -40.6 99.28 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 114.166 -1.379 . . . . 6.03 112.561 -177.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -94.62 -47.64 6.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.219 -0.446 . . . . 5.92 110.331 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -162.65 -38.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.397 0.618 . . . . 1.91 111.131 -178.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 94.68 3.34 62.62 Favored Glycine 0 CA--C 1.504 -0.601 0 N-CA-C 110.233 -1.147 . . . . 1.18 110.233 -171.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.61 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -149.04 154.62 9.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.465 -0.868 . . . . 1.14 109.85 -179.442 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -156.97 135.63 11.55 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.344 0.593 . . . . 3.43 110.646 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 47.2 t -109.69 136.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.375 -0.829 . . . . 1.05 110.555 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.423 ' OE2' ' HD2' ' A' ' 505' ' ' ARG . 39.5 mt-10 -132.83 162.16 32.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.395 -0.821 . . . . 2.01 110.161 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.55 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 84.8 mt -84.11 141.49 31.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.976 -0.556 . . . . 1.12 111.675 -174.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.506 ' HB3' ' CD1' ' A' ' 503' ' ' TRP . . . -88.83 -11.31 45.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.576 -0.738 . . . . 1.04 109.478 171.2 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.55 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 13.2 pt-20 -154.43 167.48 29.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.113 -0.949 . . . . 2.02 109.457 -176.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.79 122.59 23.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.463 -0.335 . . . . 2.36 110.568 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -74.66 86.1 2.14 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 121.735 0.779 . . . . 1.37 111.246 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.72 -54.24 46.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.971 -1.013 . . . . 3.38 111.474 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 122.96 -33.34 4.1 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.492 -0.861 . . . . 2.45 113.175 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -74.67 -19.51 60.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.655 0.741 . . . . 3.35 109.32 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.53 ' HE2' ' OE1' ' A' ' 491' ' ' GLU . 25.7 mtpp -61.5 135.96 57.85 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 114.647 -1.161 . . . . 2.25 110.886 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 36.6 mm -91.5 -39.58 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 109.317 -0.623 . . . . 1.29 109.317 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -120.31 121.43 38.62 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.44 -0.8 . . . . 1.16 110.992 -177.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.53 ' CD1' HD13 ' A' ' 565' ' ' ILE . 14.9 pt -114.6 -177.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.404 -0.816 . . . . 1.11 110.488 -177.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.511 ' HD2' ' CG ' ' A' ' 523' ' ' GLU . 4.0 tppp? -123.29 121.84 36.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.254 -0.43 . . . . 2.28 110.421 177.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.44 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 25.9 mt -119.66 157.84 27.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.712 -0.676 . . . . 1.3 110.483 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.636 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.3 m95 -121.76 128.88 52.24 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.765 -0.458 . . . . 0.39 109.765 170.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.575 HD23 ' SD ' ' A' ' 554' ' ' MET . 57.1 tp -89.9 109.06 20.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 1.13 110.672 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.453 ' HG2' ' HB3' ' A' ' 521' ' ' ALA . 58.3 mtt85 -102.76 140.53 36.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.237 -0.438 . . . . 3.84 110.567 177.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 20.2 mm -93.66 126.78 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.366 -0.379 . . . . 1.23 110.607 -178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -87.0 -29.45 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.928 -0.578 . . . . 1.52 111.007 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.417 ' CG ' ' HG2' ' A' ' 511' ' ' LYS . 23.3 t0 -147.06 90.59 1.91 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.98 -0.554 . . . . 0.71 110.029 -177.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.5 pp -73.53 -10.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.299 -0.409 . . . . 1.34 111.136 -177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.16 -25.94 36.45 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.992 -0.549 . . . . 3.57 111.144 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . 0.417 ' HG2' ' CG ' ' A' ' 508' ' ' ASP . 46.0 mmtm -83.46 -24.2 31.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.894 0.378 . . . . 3.59 111.255 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 36.1 mt -81.71 159.19 23.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.942 -0.572 . . . . 1.15 110.394 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -112.12 66.32 0.64 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.688 0.756 . . . . 3.74 109.492 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.21 -170.62 25.04 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.033 -0.985 . . . . 1.11 110.731 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -106.48 101.66 11.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.165 0.483 . . . . 3.9 110.784 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -136.03 145.66 46.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.628 -0.714 . . . . 1.14 109.733 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.5 ' C ' ' H ' ' A' ' 519' ' ' ASN . 9.1 mptt -90.98 156.58 17.85 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.234 -0.654 . . . . 2.47 109.234 176.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.93 35.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.85 0.833 . . . . 2.29 110.709 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.5 ' H ' ' C ' ' A' ' 517' ' ' LYS . 27.3 t-20 -174.95 37.21 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.543 -1.208 . . . . 3.24 108.09 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -105.22 135.12 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.343 -0.844 . . . . 1.52 109.986 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.96 118.93 16.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.72 -0.673 . . . . 1.12 110.58 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 95.0 mt -95.14 105.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 114.922 -1.035 . . . . 1.11 110.484 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.636 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 19.6 tt0 -72.27 126.74 30.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.141 -0.481 . . . . 0.6 110.267 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . 0.45 ' CD2' HG13 ' A' ' 536' ' ' VAL . 36.3 p90 -146.28 145.1 30.24 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.948 -0.39 . . . . 0.27 109.948 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 32.5 p -88.94 149.53 23.27 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.699 -0.482 . . . . 1.71 109.699 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 29.4 t80 -130.29 116.61 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.412 -0.515 . . . . 0.27 110.707 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.404 ' HB3' ' H ' ' A' ' 531' ' ' ASP . 10.7 t70 -84.58 109.42 17.94 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.807 -0.812 . . . . 0.58 108.807 173.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 59.7 mt -68.16 -9.03 43.67 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.863 -0.608 . . . . 1.09 112.209 -172.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -105.78 -50.44 3.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.347 . . . . 2.18 110.944 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -86.37 -50.38 6.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.537 0.569 . . . . 4.71 112.537 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . 0.404 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 51.3 m-20 -72.32 147.82 45.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.325 0.583 . . . . 0.61 111.388 -173.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 70.3 t -120.41 140.27 29.99 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.289 -0.869 . . . . 1.1 109.098 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.94 -49.1 18.43 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.063 1.842 . . . . 0.29 112.249 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.71 -30.21 70.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.412 -0.358 . . . . 2.34 111.453 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.14 -46.01 62.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.117 0.484 . . . . 1.09 110.143 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.702 ' O ' ' HG3' ' A' ' 539' ' ' GLU . 89.2 t -64.43 -37.37 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.701 -0.681 . . . . 1.08 110.42 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.0 -14.52 62.97 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.601 -0.44 . . . . 1.01 110.938 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.406 ' HG2' ' NE2' ' A' ' 551' ' ' HIS . 9.8 mm100 -84.81 -42.41 15.16 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.827 -0.169 . . . . 1.08 110.692 174.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . 0.702 ' HG3' ' O ' ' A' ' 536' ' ' VAL . 0.0 OUTLIER -67.0 -28.92 68.65 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.527 -0.545 . . . . 2.07 109.527 176.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 52.5 mtt -58.67 -45.75 88.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.431 -0.804 . . . . 1.05 110.469 170.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.608 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 86.1 t -65.2 -50.26 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.473 -0.785 . . . . 1.08 110.936 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.31 -36.05 74.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.31 -0.404 . . . . 0.77 111.449 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 20.2 m -80.87 -1.51 43.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.4 -0.364 . . . . 1.71 111.535 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 88.54 0.7 81.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.952 -0.642 . . . . 0.54 113.537 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.403 ' HB3' HD11 ' A' ' 522' ' ' ILE . 66.8 m-85 -70.54 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.169 0.509 . . . . 1.08 110.568 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.608 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 95.8 t -101.05 148.28 7.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.615 -0.721 . . . . 1.05 110.294 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 37.9 t -90.27 139.01 31.07 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.335 -0.987 . . . . 1.24 108.335 173.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.491 ' HB2' HG11 ' A' ' 541' ' ' VAL . 34.3 tt0 -66.55 -11.72 54.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.277 0.473 . . . . 2.72 112.277 -168.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -79.13 -17.63 76.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.781 -0.723 . . . . 0.32 112.038 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -113.28 24.31 12.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.531 0.681 . . . . 1.23 109.549 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . 0.406 ' NE2' ' HG2' ' A' ' 538' ' ' GLN . 18.4 t-80 -61.92 -44.87 95.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.87 -1.059 . . . . 0.3 111.631 -176.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -67.72 -39.7 84.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.292 . . . . 3.4 110.87 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 69.5 m -56.74 -45.67 81.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.817 -0.629 . . . . 1.07 110.917 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.577 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.8 mmt -67.58 -47.45 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.514 . . . . 1.01 110.833 -178.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -59.46 -37.52 78.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.606 -0.724 . . . . 1.04 111.368 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.54 -40.06 92.48 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.128 -0.487 . . . . 2.3 110.108 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.61 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -59.67 -46.46 88.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.327 0.584 . . . . 1.0 110.185 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 554' ' ' MET . 59.0 mt -59.83 -52.33 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.905 -1.043 . . . . 1.05 110.33 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.08 -39.18 88.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.851 -0.613 . . . . 2.69 111.081 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.04 -35.58 81.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 1.03 110.89 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 561' ' ' ARG . 8.4 tpt180 -76.31 -45.6 31.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.904 0.383 . . . . 2.1 110.403 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 558' ' ' ILE . 95.9 t -59.38 -27.75 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.748 -0.66 . . . . 1.05 110.511 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.58 ' O ' ' HG2' ' A' ' 567' ' ' ARG . 22.8 t -56.76 -51.11 70.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.497 . . . . 1.44 110.444 174.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.23 -38.7 90.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.547 0.689 . . . . 2.3 110.762 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.53 HD13 ' CD1' ' A' ' 500' ' ' ILE . 57.4 mt -68.77 -45.85 80.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.124 -0.944 . . . . 1.1 111.411 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 94.5 mttt -67.84 -24.26 65.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.139 -0.482 . . . . 1.39 111.594 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.58 ' HG2' ' O ' ' A' ' 563' ' ' SER . 33.7 mmt180 -58.79 -34.27 71.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.779 0.323 . . . . 3.48 110.944 176.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -77.86 -32.41 51.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 3.89 110.087 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . 0.418 ' HE ' ' HB3' ' A' ' 569' ' ' ARG . 4.7 mtp85 -69.72 -35.23 74.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.688 -0.687 . . . . 3.62 110.812 176.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 30.8 mm-40 -65.19 -25.59 67.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.744 -0.662 . . . . 2.16 110.717 176.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 75.05 -53.76 0.66 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.321 -0.854 . . . . 5.94 111.05 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 . . . . . 0 C--N 1.307 -1.248 0 CA-C-N 115.404 -0.816 . . . . 8.81 109.639 177.362 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . 0.509 ' H1 ' ' CD ' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.899 -0.481 . . . . 9.82 111.899 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -103.15 82.08 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.91 0.386 . . . . 7.34 110.383 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -60.28 -45.16 94.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 11.23 110.724 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 6.2 p-10 -71.72 128.48 89.59 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.66 -0.496 . . . . 7.18 109.66 175.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 51.8 Cg_exo -58.41 84.02 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.726 2.95 . . . . 7.93 113.253 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -125.28 -9.24 6.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.161 -0.472 . . . . 8.01 110.655 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 54.46 87.12 0.05 OUTLIER 'General case' 0 C--O 1.231 0.101 0 O-C-N 123.785 0.678 . . . . 6.03 110.913 -176.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' A' ' 484' ' ' GLY . 12.0 tp10 -78.92 60.99 3.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.946 -0.57 . . . . 5.92 109.976 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.6 m 70.58 -23.03 0.17 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.843 -0.617 . . . . 1.91 112.062 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.503 ' H ' ' C ' ' A' ' 482' ' ' GLU . . . 98.92 -0.63 57.66 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.104 -0.799 . . . . 1.18 111.104 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.52 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 1.2 m -142.86 154.24 17.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.321 -0.439 . . . . 1.14 111.229 178.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.461 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 13.8 tpp180 -158.87 133.93 8.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.637 0.732 . . . . 3.43 111.464 177.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.461 ' H ' ' HD3' ' A' ' 486' ' ' ARG . 43.5 t -109.74 134.98 50.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.176 -0.92 . . . . 1.05 110.217 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.78 156.78 44.4 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.734 -0.666 . . . . 2.01 110.706 -176.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.446 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 43.3 mt -79.8 133.48 36.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.765 -0.652 . . . . 1.12 110.635 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.576 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -81.0 -18.51 46.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.547 0.689 . . . . 1.04 109.679 174.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 11.2 pt-20 -137.66 156.67 47.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.577 -1.192 . . . . 2.02 109.055 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.36 115.71 8.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.931 -0.577 . . . . 2.36 110.378 179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.14 136.14 56.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.137 0.494 . . . . 1.37 110.729 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . 0.576 ' H ' ' HD2' ' A' ' 497' ' ' LYS . 36.5 m-20 -104.0 -15.79 15.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.215 -0.902 . . . . 3.38 110.372 -173.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . 0.441 ' O ' ' HG2' ' A' ' 569' ' ' ARG . . . 109.28 -69.88 0.21 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.347 -0.93 . . . . 2.45 113.144 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -83.29 26.31 0.66 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.491 0.662 . . . . 3.35 111.046 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.576 ' HD2' ' H ' ' A' ' 494' ' ' ASP . 26.2 mtpp -77.1 137.48 38.95 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.613 -0.721 . . . . 2.25 110.378 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 40.8 mm -97.59 -35.95 5.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.201 0.524 . . . . 1.29 109.922 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -133.23 120.87 21.68 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.743 . . . . 1.16 110.549 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.506 ' CD1' HD12 ' A' ' 565' ' ' ILE . 10.5 pt -115.34 -178.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.413 -0.812 . . . . 1.11 110.884 -174.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -125.29 113.32 17.45 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.08 -0.509 . . . . 2.28 109.753 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.454 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 29.9 mt -114.21 158.18 21.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.714 -0.676 . . . . 1.3 110.49 -176.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.688 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.5 m95 -120.68 118.98 31.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.717 -0.475 . . . . 0.39 109.717 169.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.546 HD22 ' SD ' ' A' ' 554' ' ' MET . 49.9 tp -75.69 107.41 7.84 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.593 -0.521 . . . . 1.13 109.593 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.421 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 61.9 mtt180 -110.7 151.97 27.09 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 116.11 -0.496 . . . . 3.84 110.672 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 13.3 mm -103.41 125.65 57.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.005 -0.543 . . . . 1.23 110.878 -175.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.509 ' CD ' ' H1 ' ' A' ' 475' ' ' GLY . 6.2 mm-40 -79.27 -40.61 30.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.224 0.535 . . . . 1.52 110.246 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.402 ' CG ' ' HG2' ' A' ' 511' ' ' LYS . 8.7 t0 -143.15 97.52 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.432 -0.804 . . . . 0.71 109.777 -175.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.6 pp -73.78 -6.0 7.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.995 -0.548 . . . . 1.34 112.157 -175.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -91.56 -17.42 25.65 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.845 0.355 . . . . 3.57 111.17 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . 0.402 ' HG2' ' CG ' ' A' ' 508' ' ' ASP . 26.4 mmtp -86.14 -10.34 54.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.284 0.564 . . . . 3.59 110.468 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 47.1 mt -95.68 164.28 12.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.501 -0.772 . . . . 1.15 109.953 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -98.0 -32.3 11.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.317 0.58 . . . . 3.74 109.974 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -67.62 170.21 36.17 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.521 -0.763 . . . . 1.11 113.26 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -90.93 118.69 30.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.838 0.351 . . . . 3.9 110.294 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.481 ' HH ' ' HA ' ' A' ' 546' ' ' VAL . 75.4 m-85 -139.43 176.67 8.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.796 0.331 . . . . 1.14 110.305 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' A' ' 519' ' ' ASN . 52.4 mtpt -118.7 154.43 32.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.787 -0.642 . . . . 2.47 110.103 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -78.94 37.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.982 0.896 . . . . 2.29 110.371 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 517' ' ' LYS . 66.2 t30 179.42 42.32 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.249 -1.341 . . . . 3.24 107.417 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . 0.405 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 8.9 tp10 -103.14 137.68 40.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.843 -1.071 . . . . 1.52 110.209 -172.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.421 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -145.6 137.74 25.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.441 0.638 . . . . 1.12 111.158 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.505 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 67.7 mt -119.5 102.89 13.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.937 -1.029 . . . . 1.11 110.024 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.688 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.7 tt0 -71.52 130.65 41.8 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.957 -0.565 . . . . 0.6 110.274 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -151.47 142.06 22.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.422 -0.354 . . . . 0.27 110.308 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 11.8 t -83.18 145.63 29.08 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.342 -0.614 . . . . 1.71 109.342 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 30.0 t80 -130.19 118.34 21.27 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.476 -0.49 . . . . 0.27 110.7 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -86.58 108.63 18.67 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.726 -0.842 . . . . 0.58 108.726 172.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.04 -20.04 65.64 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.876 -0.602 . . . . 1.09 112.041 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -97.26 -36.88 10.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.504 -0.316 . . . . 2.18 111.425 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -99.58 -47.46 5.1 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.762 0.653 . . . . 4.71 112.762 -175.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -73.69 146.79 44.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.493 0.663 . . . . 0.61 112.567 -169.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 75.5 t -117.3 126.56 27.32 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 114.792 -1.095 . . . . 1.1 109.189 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.432 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 48.8 Cg_exo -55.77 -38.79 93.96 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.404 2.736 . . . . 0.29 113.033 -174.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.71 -36.81 81.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.03 0.443 . . . . 2.34 110.584 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.568 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 0.1 OUTLIER -72.64 -35.07 67.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.752 -0.658 . . . . 1.09 110.567 -179.164 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 93.4 t -68.19 -43.37 84.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.772 -0.649 . . . . 1.08 110.335 176.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.6 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -63.29 -24.43 67.86 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.677 -0.409 . . . . 1.01 110.386 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.2 mm100 -68.46 -49.67 58.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.438 -0.347 . . . . 1.08 110.691 174.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 536' ' ' VAL . 12.8 pt-20 -66.2 -27.41 67.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.792 -0.447 . . . . 2.07 109.792 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 52.9 mtt -59.59 -47.94 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.648 -0.705 . . . . 1.05 110.569 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.6 HG21 ' O ' ' A' ' 537' ' ' ALA . 66.0 t -64.43 -48.34 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.866 -0.606 . . . . 1.08 110.718 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.42 -32.02 71.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.944 -0.571 . . . . 0.77 111.878 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.3 m -87.22 2.74 49.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.816 0.341 . . . . 1.71 111.505 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 81.73 15.25 76.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.856 -0.688 . . . . 0.54 113.19 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -85.49 -52.52 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.091 0.472 . . . . 1.08 110.41 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 69.2 t -112.32 151.47 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.519 -0.764 . . . . 1.05 110.649 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 43.5 t -86.02 139.14 31.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.285 -0.635 . . . . 1.24 109.285 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.447 ' HB2' HG13 ' A' ' 541' ' ' VAL . 11.2 tp10 -60.45 -26.75 66.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.748 -0.66 . . . . 2.72 111.396 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.26 -16.15 80.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.764 -0.732 . . . . 0.32 112.616 177.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -113.15 15.35 19.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.164 0.507 . . . . 1.23 110.122 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -58.5 -46.16 87.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.456 -0.793 . . . . 0.3 110.995 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -57.68 -46.33 84.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 3.4 110.924 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 37.4 m -58.59 -43.01 89.37 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.348 -0.842 . . . . 1.07 111.317 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.585 ' O ' HG13 ' A' ' 558' ' ' ILE . 23.0 mmt -70.73 -46.88 62.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.344 -0.389 . . . . 1.01 110.923 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.0 80.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 1.04 110.89 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.438 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 6.9 tmtm? -64.87 -43.39 93.11 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.196 -0.668 . . . . 2.3 109.196 176.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.52 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -57.58 -46.04 84.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.381 176.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 554' ' ' MET . 62.2 mt -60.91 -49.03 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.203 -0.908 . . . . 1.05 109.991 177.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -62.97 -39.72 95.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.818 -0.628 . . . . 2.69 111.009 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -59.7 -44.81 93.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.849 0.357 . . . . 1.03 110.221 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.41 ' HD2' ' HA ' ' A' ' 561' ' ' ARG . 8.3 tpt180 -69.62 -46.74 65.53 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.087 -0.506 . . . . 2.1 110.473 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.495 HG21 ' O ' ' A' ' 558' ' ' ILE . 99.5 t -62.07 -36.53 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.113 -0.494 . . . . 1.05 111.291 -177.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 14.3 t -62.33 -40.71 97.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.148 0.499 . . . . 1.44 110.094 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 90.9 mt -67.86 -41.38 82.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.719 . . . . 2.3 110.513 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.506 HD12 ' CD1' ' A' ' 500' ' ' ILE . 94.9 mt -63.72 -45.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.197 -0.911 . . . . 1.1 111.144 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 88.1 mttt -68.25 -24.22 64.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.871 -0.604 . . . . 1.39 111.664 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -61.0 -34.1 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.063 0.459 . . . . 3.48 109.953 174.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.405 ' HB2' ' NZ ' ' A' ' 568' ' ' LYS . 0.0 OUTLIER -68.08 -38.13 82.02 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.766 -0.652 . . . . 3.89 109.689 175.359 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 495' ' ' GLY . 47.0 mtp180 -69.76 -30.92 68.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.465 -0.789 . . . . 3.62 111.763 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 18.8 mm-40 -60.83 -46.0 92.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.73 -0.668 . . . . 2.16 111.407 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 69.09 140.08 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.898 0.749 . . . . 5.94 110.731 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.767 -0.651 . . . . 8.81 110.779 -177.381 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 111.805 -0.518 . . . . 9.82 111.805 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -96.45 110.74 23.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.761 0.315 . . . . 7.34 110.621 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 49.5 ttm -80.64 -26.2 37.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.038 0.447 . . . . 11.23 110.11 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 36.7 m-20 -108.73 139.94 21.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.92 -0.582 . . . . 7.18 110.694 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 25.3 Cg_exo -65.77 -2.89 7.14 Favored 'Trans proline' 0 CA--C 1.526 0.119 0 C-N-CA 123.997 3.131 . . . . 7.93 112.202 175.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -70.03 -36.91 75.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.873 -0.603 . . . . 8.01 110.83 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -90.23 143.25 26.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.066 0.46 . . . . 6.03 110.389 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . 0.46 ' O ' HG22 ' A' ' 553' ' ' THR . 9.1 pt-20 -93.24 85.54 5.06 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.55 0.691 . . . . 5.92 109.963 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.418 ' HB ' ' H ' ' A' ' 484' ' ' GLY . 3.0 m -119.22 -109.74 0.35 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.858 -0.61 . . . . 1.91 110.554 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.418 ' H ' ' HB ' ' A' ' 483' ' ' THR . . . 62.81 34.12 88.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.192 -1.004 . . . . 1.18 111.368 -173.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.52 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -151.74 155.26 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 C-N-CA 123.353 0.661 . . . . 1.14 110.083 -175.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.437 ' HD2' ' H ' ' A' ' 487' ' ' VAL . 26.1 tpt180 -155.37 138.39 15.48 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.286 0.565 . . . . 3.43 110.968 176.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.437 ' H ' ' HD2' ' A' ' 486' ' ' ARG . 59.9 t -114.6 126.92 72.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.264 -0.88 . . . . 1.05 110.573 -175.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -128.7 152.04 48.85 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.428 -0.805 . . . . 2.01 111.226 -174.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.542 HD22 ' CD1' ' A' ' 502' ' ' LEU . 46.2 mt -72.89 139.89 47.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.669 -0.696 . . . . 1.12 110.123 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -82.04 -23.87 35.64 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.379 0.609 . . . . 1.04 109.661 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 -169.93 2.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.286 -0.87 . . . . 2.02 110.535 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.98 108.95 20.03 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.912 -0.586 . . . . 2.36 110.594 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . 0.454 ' OD1' ' HD2' ' A' ' 497' ' ' LYS . 22.4 t70 -124.3 123.73 40.85 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.57 -0.452 . . . . 1.37 111.364 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -160.77 19.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.442 -0.799 . . . . 3.38 109.348 173.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -117.73 -120.31 3.04 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.58 -0.819 . . . . 2.45 113.083 -174.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -132.37 25.71 4.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.778 -0.211 . . . . 3.35 111.553 -172.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.503 ' HB2' ' NH2' ' A' ' 569' ' ' ARG . 95.4 mttt -57.31 137.09 56.46 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 110.255 -0.276 . . . . 2.25 110.255 176.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 32.7 mm -90.96 -29.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.213 0.53 . . . . 1.29 109.816 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -131.86 118.05 19.33 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.346 0.593 . . . . 1.16 110.826 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.564 ' CD1' HD13 ' A' ' 565' ' ' ILE . 11.1 pt -117.82 -171.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.109 -0.95 . . . . 1.11 110.277 -175.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.493 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 7.8 ttpm? -141.74 108.37 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.885 0.374 . . . . 2.28 111.087 179.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.542 ' CD1' HD22 ' A' ' 489' ' ' LEU . 1.9 mm? -95.63 167.21 11.43 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.321 0.582 . . . . 1.3 111.661 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.73 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.4 m95 -123.19 120.68 33.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.028 -0.987 . . . . 0.39 109.286 165.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.542 ' HB3' ' HB ' ' A' ' 522' ' ' ILE . 50.9 tp -83.09 104.31 13.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.444 -0.344 . . . . 1.13 110.49 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 41.3 mtm105 -90.17 132.36 35.51 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.26 -0.427 . . . . 3.84 110.469 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.416 HG21 HG23 ' A' ' 509' ' ' ILE . 16.6 mm -87.73 113.64 25.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.428 -0.582 . . . . 1.23 109.428 175.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.11 -54.1 5.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.13 -0.486 . . . . 1.52 111.047 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -129.25 99.74 5.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.947 -0.569 . . . . 0.71 110.27 -175.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.416 HG23 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -75.26 -10.34 13.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.519 -0.764 . . . . 1.34 111.838 -176.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -81.87 -14.57 56.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.185 -0.461 . . . . 3.57 110.817 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . 0.527 ' HB2' ' HZ2' ' A' ' 511' ' ' LYS . 0.1 OUTLIER -84.59 -27.57 27.15 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.437 0.637 . . . . 3.59 109.399 177.169 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 41.7 mt -87.35 156.88 19.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.357 -0.838 . . . . 1.15 110.105 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -99.09 -11.45 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.313 -0.403 . . . . 3.74 110.854 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -80.52 -162.68 27.55 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.044 -0.598 . . . . 1.11 112.449 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 515' ' ' LYS . 0.2 OUTLIER -116.9 102.7 9.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.553 -0.536 . . . . 3.9 109.553 178.599 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.431 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 78.5 m-85 -130.91 173.59 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 1.14 111.366 -174.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.457 ' C ' ' H ' ' A' ' 519' ' ' ASN . 81.5 mttt -115.24 137.62 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.314 -0.857 . . . . 2.47 108.954 176.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -79.12 35.96 0.27 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.746 0.784 . . . . 2.29 111.246 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' A' ' 517' ' ' LYS . 8.5 p30 -161.68 25.5 0.12 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.897 -1.047 . . . . 3.24 109.646 178.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -102.69 141.85 34.81 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.956 -0.566 . . . . 1.52 110.286 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.478 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -132.4 124.03 27.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.605 -0.725 . . . . 1.12 110.531 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.542 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 97.4 mt -102.63 105.29 17.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.102 -0.954 . . . . 1.11 110.738 -177.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.73 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 20.6 tt0 -74.78 126.1 30.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.957 -0.565 . . . . 0.6 110.876 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . 0.434 ' CD2' HG11 ' A' ' 536' ' ' VAL . 43.7 p90 -145.97 141.95 28.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.764 0.316 . . . . 0.27 110.412 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.493 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 62.8 p -84.81 143.54 29.03 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.736 -0.468 . . . . 1.71 109.736 177.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . 0.411 ' CD1' HD21 ' A' ' 528' ' ' LEU . 19.6 t80 -126.82 112.7 15.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.172 -0.611 . . . . 0.27 110.571 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -84.94 108.2 17.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.502 -0.925 . . . . 0.58 108.502 172.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 526' ' ' PHE . 63.8 mt -67.67 -9.74 46.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.161 -0.472 . . . . 1.09 112.137 -172.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -106.96 -42.4 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.794 0.331 . . . . 2.18 110.965 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -89.63 -51.86 5.3 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.0 0.371 . . . . 4.71 112.0 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.01 156.21 39.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.738 0.78 . . . . 0.61 112.0 -173.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 76.4 t -131.11 137.79 31.47 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 114.671 -1.149 . . . . 1.1 108.88 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -53.03 -49.46 17.51 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.213 1.942 . . . . 0.29 112.161 -176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.33 -30.62 71.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.853 -0.612 . . . . 2.34 111.363 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 26.8 t70 -70.12 -46.53 64.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.149 0.5 . . . . 1.09 110.04 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.434 HG11 ' CD2' ' A' ' 524' ' ' PHE . 93.8 t -60.34 -42.32 90.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.501 -0.772 . . . . 1.08 110.238 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.571 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -64.35 -27.77 69.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 1.01 110.823 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.452 ' HG2' ' NE2' ' A' ' 551' ' ' HIS . 7.8 mm100 -69.46 -45.78 68.26 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 110.067 -0.346 . . . . 1.08 110.067 174.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 50.7 mm-40 -57.88 -40.59 80.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.257 0.551 . . . . 2.07 109.734 175.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.402 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 54.0 mtt -55.4 -41.59 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.268 -0.878 . . . . 1.05 110.925 177.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 65.1 t -67.08 -50.97 58.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.897 -0.592 . . . . 1.08 110.849 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.77 -28.25 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.77 111.673 -177.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' SER . . . . . 0.426 ' HB2' ' CD2' ' A' ' 545' ' ' TYR . 17.6 m -84.59 -14.45 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.809 0.338 . . . . 1.71 111.239 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.53 7.74 56.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.54 113.078 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.426 ' CD2' ' HB2' ' A' ' 543' ' ' SER . 66.7 m-85 -78.8 -52.0 8.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.124 0.488 . . . . 1.08 110.376 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 95.4 t -116.61 151.75 18.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.438 -0.801 . . . . 1.05 110.642 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.431 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 49.2 t -92.85 143.09 26.61 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.685 -0.857 . . . . 1.24 108.685 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.416 ' HB3' HG12 ' A' ' 541' ' ' VAL . 12.3 pt-20 -64.0 -14.4 53.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 2.72 112.184 -173.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -81.05 -18.42 69.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.32 112.286 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -113.93 22.32 14.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.55 0.69 . . . . 1.23 109.778 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . 0.452 ' NE2' ' HG2' ' A' ' 538' ' ' GLN . 16.6 t-80 -61.31 -50.78 71.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.128 -0.942 . . . . 0.3 111.895 -175.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -68.6 -30.62 69.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.61 0.243 . . . . 3.4 111.143 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 482' ' ' GLU . 84.3 m -59.41 -48.61 80.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.965 -0.561 . . . . 1.07 110.772 177.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.566 ' O ' HG13 ' A' ' 558' ' ' ILE . 25.3 mmt -66.0 -44.2 85.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.665 -0.698 . . . . 1.01 110.59 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.58 73.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.596 -0.729 . . . . 1.04 111.278 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -65.64 -41.95 92.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.942 0.401 . . . . 2.3 109.954 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.52 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -60.97 -44.81 96.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.297 176.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 554' ' ' MET . 57.0 mt -63.03 -49.38 83.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.314 -0.857 . . . . 1.05 110.314 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -64.51 -33.33 75.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.915 -0.584 . . . . 2.69 111.022 -175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.5 -44.84 93.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 1.03 110.846 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -68.58 -45.16 72.79 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.172 -0.467 . . . . 2.1 109.87 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 76.0 t -61.92 -33.66 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.508 -0.769 . . . . 1.05 111.373 -178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 13.3 t -61.95 -43.81 98.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.961 0.41 . . . . 1.44 110.516 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.33 -43.49 85.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.331 0.586 . . . . 2.3 110.006 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.564 HD13 ' CD1' ' A' ' 500' ' ' ILE . 84.7 mt -60.36 -47.92 90.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.04 -0.982 . . . . 1.1 111.701 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.54 -22.42 66.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.944 -0.571 . . . . 1.39 111.526 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.41 ' O ' ' HD3' ' A' ' 567' ' ' ARG . 0.3 OUTLIER -59.55 -32.41 70.32 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.544 -0.539 . . . . 3.48 109.544 176.532 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -70.55 -31.37 68.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.195 0.521 . . . . 3.89 110.249 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . 0.503 ' NH2' ' HB2' ' A' ' 497' ' ' LYS . 11.2 mpt_? -76.26 -9.46 58.65 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.687 -0.688 . . . . 3.62 110.926 177.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.36 56.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.811 0.815 . . . . 2.16 110.48 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . 0.432 ' HG2' ' N ' ' A' ' 572' ' ' ARG . 24.3 tt0 -133.13 164.04 27.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.602 -1.181 . . . . 5.94 108.182 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.531 ' HA ' ' NE ' ' A' ' 572' ' ' ARG . 5.3 mmp_? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.674 -0.679 . . . . 8.81 109.865 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.04 -0.424 . . . . 9.82 112.04 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -153.73 133.28 12.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.793 0.33 . . . . 7.34 110.693 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 15.6 tpt -85.71 -40.64 15.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.091 0.472 . . . . 11.23 109.891 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.17 146.67 63.27 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.25 -0.648 . . . . 7.18 109.25 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.53 84.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 124.428 3.419 . . . . 7.93 113.588 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -175.91 -178.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.277 -1.009 . . . . 8.01 108.277 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -158.04 13.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.963 0.411 . . . . 6.03 109.908 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 67.87 -58.06 0.45 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.343 -0.844 . . . . 5.92 111.432 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 12.6 m -64.1 116.27 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.591 -0.522 . . . . 1.91 109.591 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.566 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -87.49 43.28 3.18 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.093 -0.575 . . . . 1.18 113.489 -173.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.569 ' CG2' ' HB1' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -156.91 158.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 122.501 0.32 . . . . 1.14 110.583 178.698 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -164.37 139.1 5.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.798 -0.637 . . . . 3.43 110.016 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.578 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 49.2 t -111.92 144.97 18.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.188 -0.46 . . . . 1.05 110.863 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -133.74 165.13 25.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.963 -0.562 . . . . 2.01 110.876 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.543 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 93.8 mt -85.5 129.04 34.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.466 -0.788 . . . . 1.12 110.855 -178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.54 ' HB3' ' CD1' ' A' ' 503' ' ' TRP . . . -76.67 -13.57 60.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.743 0.782 . . . . 1.04 109.961 174.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.543 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 11.1 pt-20 -139.29 163.33 32.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.456 -1.247 . . . . 2.02 108.569 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -81.57 115.41 20.85 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.542 -0.54 . . . . 2.36 109.542 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . 0.449 ' CG ' HH21 ' A' ' 569' ' ' ARG . 21.4 t70 -113.99 104.88 12.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.181 -0.463 . . . . 1.37 110.992 -176.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -91.32 -27.53 18.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.82 -0.627 . . . . 3.38 109.373 175.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 496' ' ' GLU . . . 120.87 115.8 2.44 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.488 -0.778 . . . . 2.45 113.166 174.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 495' ' ' GLY . 11.8 pt-20 175.63 -34.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.677 0.751 . . . . 3.35 108.984 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -101.89 128.72 48.16 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.685 -1.143 . . . . 2.25 110.042 -178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 33.0 mm -73.56 -31.8 33.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.347 0.594 . . . . 1.29 110.413 -174.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -107.77 123.76 49.03 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.451 -0.795 . . . . 1.16 110.644 -178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 16.5 pt -120.48 -176.41 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.638 -0.71 . . . . 1.11 111.038 -175.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.423 ' HB3' ' HB2' ' A' ' 490' ' ' ALA . 11.3 tptm -125.37 114.93 19.53 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.084 -0.507 . . . . 2.28 109.665 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.578 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 48.0 mt -115.45 156.72 25.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.985 -0.552 . . . . 1.3 111.089 -176.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.684 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.4 m95 -121.94 124.03 43.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.894 -0.409 . . . . 0.39 109.894 170.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 56.7 tp -83.51 96.24 8.54 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.074 0.464 . . . . 1.13 110.328 176.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -87.65 119.73 28.26 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.537 -0.756 . . . . 3.84 110.55 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 12.7 mm -79.96 124.69 38.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.752 -0.658 . . . . 1.23 110.087 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.566 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 18.5 mm-40 -92.73 -45.3 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.071 -0.513 . . . . 1.52 111.836 -175.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -137.29 96.45 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.283 0.563 . . . . 0.71 110.557 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.7 pp -75.98 -13.11 14.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.664 -0.698 . . . . 1.34 112.022 -177.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -75.35 -17.63 60.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.874 0.369 . . . . 3.57 110.837 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . 0.443 ' HZ1' ' HB3' ' A' ' 511' ' ' LYS . 4.8 mmmp? -85.07 -18.84 33.08 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.113 0.482 . . . . 3.59 111.116 176.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 19.1 mt -91.49 149.79 21.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.738 -0.664 . . . . 1.15 110.917 -173.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -107.54 54.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.272 0.558 . . . . 3.74 110.558 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.21 -171.85 26.66 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.706 -0.679 . . . . 1.11 111.516 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -92.4 103.77 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.09 0.471 . . . . 3.9 110.762 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.725 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 48.5 m-85 -135.76 170.19 16.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 1.14 110.055 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.444 ' C ' ' H ' ' A' ' 519' ' ' ASN . 49.5 mtmt -125.69 151.47 46.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.001 -0.545 . . . . 2.47 109.804 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -80.73 31.5 0.3 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.536 0.684 . . . . 2.29 111.218 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 517' ' ' LYS . 26.9 p-10 -159.97 23.78 0.17 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.031 -0.986 . . . . 3.24 109.746 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.0 140.13 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.665 . . . . 1.52 110.534 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.634 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -143.14 113.3 7.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.578 -0.737 . . . . 1.12 110.285 177.303 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.505 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 68.3 mt -92.79 105.17 16.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 114.748 -1.114 . . . . 1.11 110.858 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.1 tt0 -73.43 126.43 30.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.948 -0.569 . . . . 0.6 110.428 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . 0.469 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 47.6 p90 -144.43 143.97 31.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.839 0.352 . . . . 0.27 110.437 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.5 p -86.67 136.46 33.02 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.823 -0.436 . . . . 1.71 109.823 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 31.9 t80 -125.81 116.43 21.57 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.529 -0.469 . . . . 0.27 111.156 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.31 106.08 13.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.077 -1.083 . . . . 0.58 108.077 170.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.32 -15.44 48.05 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.035 0.754 . . . . 1.09 113.035 -170.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -106.84 -43.83 4.58 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.964 -0.294 . . . . 2.18 111.429 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -81.57 -52.0 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.831 0.308 . . . . 4.71 111.831 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -75.28 146.51 40.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.448 0.642 . . . . 0.61 111.61 -171.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 73.3 t -116.82 137.83 24.1 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.018 -0.992 . . . . 1.1 109.316 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -51.03 -46.61 29.94 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.801 2.334 . . . . 0.29 112.077 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -61.42 -36.77 81.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.911 -0.586 . . . . 2.34 111.202 176.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.84 -46.37 75.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.285 0.564 . . . . 1.09 110.127 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.11 -40.14 87.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.253 -0.885 . . . . 1.08 111.071 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.87 -28.27 69.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.539 -0.301 . . . . 1.01 110.782 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -68.85 -41.02 79.04 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.211 -0.292 . . . . 1.08 110.211 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -58.91 -43.47 91.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.197 -0.668 . . . . 2.07 109.197 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.406 ' HB2' ' O ' ' A' ' 537' ' ' ALA . 56.1 mtt -55.45 -45.35 76.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.097 -0.956 . . . . 1.05 111.089 176.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.606 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 98.7 t -63.16 -50.87 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.483 -0.78 . . . . 1.08 111.007 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.5 -36.35 83.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.77 111.548 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 32.2 m -72.94 -16.92 61.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.428 -0.351 . . . . 1.71 111.527 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 99.22 14.4 36.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.548 -0.834 . . . . 0.54 112.971 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.446 ' HB3' ' CD1' ' A' ' 522' ' ' ILE . 63.9 m-85 -86.88 -46.94 9.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.302 0.572 . . . . 1.08 110.481 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.606 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 94.1 t -118.58 146.64 22.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.186 -0.915 . . . . 1.05 110.56 -173.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.725 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 42.4 t -82.78 140.46 32.98 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.253 -1.017 . . . . 1.24 108.253 172.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.442 ' HB2' HG13 ' A' ' 541' ' ' VAL . 40.4 tt0 -63.27 -17.53 62.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.379 . . . . 2.72 111.502 -172.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.17 -13.26 82.22 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.725 -0.75 . . . . 0.32 112.381 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -106.06 12.58 30.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.718 -0.475 . . . . 1.23 109.718 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -53.82 -49.75 67.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.242 -0.89 . . . . 0.3 111.637 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -63.93 -39.74 94.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.687 -0.233 . . . . 3.4 111.156 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 26.5 m -60.61 -45.25 94.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.037 0.446 . . . . 1.07 110.944 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.561 ' SD ' HD22 ' A' ' 504' ' ' LEU . 22.8 mmt -69.93 -44.94 68.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.863 -0.608 . . . . 1.01 110.664 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.61 78.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.589 -0.732 . . . . 1.04 110.375 177.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -67.45 -36.99 82.27 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.677 -0.692 . . . . 2.3 110.605 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.569 ' HB1' ' CG2' ' A' ' 485' ' ' VAL . . . -63.24 -46.44 86.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.44 0.638 . . . . 1.0 110.321 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.469 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 76.9 mt -61.01 -50.09 82.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.082 -0.963 . . . . 1.05 110.371 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -64.86 -29.61 70.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.544 . . . . 2.69 110.381 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . 0.466 ' HB3' ' O ' ' A' ' 557' ' ' ALA . 21.1 t70 -59.63 -59.0 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 1.03 110.486 176.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 561' ' ' ARG . 18.3 tpt180 -64.34 -43.74 93.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.666 -0.243 . . . . 2.1 111.343 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 558' ' ' ILE . 84.8 t -60.48 -33.45 54.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.334 -0.394 . . . . 1.05 111.352 -177.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 27.2 t -57.33 -55.49 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.125 -0.324 . . . . 1.44 110.125 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 8.0 mp -53.47 -45.09 69.42 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 121.059 0.457 . . . . 2.3 111.564 175.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.16 -51.21 75.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.626 -0.716 . . . . 1.1 111.174 -178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 99.1 mttt -68.48 -32.75 72.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.154 -0.475 . . . . 1.39 110.992 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.429 ' HD2' ' OE1' ' A' ' 570' ' ' GLU . 28.8 tpt180 -61.14 -38.74 87.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.83 0.452 . . . . 3.48 110.998 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -74.23 -30.67 62.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.246 0.546 . . . . 3.89 110.25 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . 0.449 HH21 ' CG ' ' A' ' 493' ' ' ASP . 84.9 mtt180 -78.49 -5.56 52.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 3.62 111.492 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 566' ' ' LYS . 70.5 mt-10 -72.27 -12.84 61.33 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.396 -0.594 . . . . 2.16 109.396 173.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -97.0 115.92 28.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.397 -0.819 . . . . 5.94 109.598 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 572' ' ' ARG . 5.3 tpp180 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.685 -0.674 . . . . 8.81 109.965 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.966 -0.454 . . . . 9.82 111.966 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . 54.17 50.1 17.24 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 122.806 0.442 . . . . 7.34 111.198 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.06 -44.75 75.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.908 -0.587 . . . . 11.23 110.291 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -105.07 148.12 35.64 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.851 -0.613 . . . . 7.18 110.257 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -48.78 139.74 24.14 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 123.392 2.728 . . . . 7.93 112.477 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 78.0 4.36 2.85 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.838 0.855 . . . . 8.01 110.958 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 58.4 -172.21 0.1 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.415 0.626 . . . . 6.03 111.456 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . 0.508 ' O ' ' HE2' ' A' ' 511' ' ' LYS . 0.0 OUTLIER -95.02 -3.5 48.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.507 0.67 . . . . 5.92 109.463 171.459 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.69 107.59 18.51 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.124 -0.943 . . . . 1.91 109.921 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -80.1 47.09 3.3 Favored Glycine 0 C--N 1.328 0.106 0 C-N-CA 120.913 -0.66 . . . . 1.18 112.745 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.49 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -154.8 165.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 122.947 0.499 . . . . 1.14 110.475 -178.673 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.526 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 16.2 tpp180 -169.47 138.02 1.9 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.608 -0.723 . . . . 3.43 109.544 176.249 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.526 ' H ' ' HD3' ' A' ' 486' ' ' ARG . 44.4 t -107.77 139.96 27.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-O 121.07 0.462 . . . . 1.05 111.47 -176.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -124.67 155.04 39.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.539 -0.755 . . . . 2.01 110.39 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.575 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 76.5 mt -79.14 127.41 31.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.69 . . . . 1.12 110.03 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.507 ' HB3' ' CD1' ' A' ' 503' ' ' TRP . . . -72.42 -22.98 61.02 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.838 -0.801 . . . . 1.04 108.838 172.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . 0.575 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 15.3 pt-20 -140.66 139.53 34.82 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.164 -1.38 . . . . 2.02 108.064 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -72.71 130.5 40.66 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.221 0.534 . . . . 2.36 111.46 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -111.77 108.82 18.37 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.608 -0.724 . . . . 1.37 111.071 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -138.56 25.01 2.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.006 -0.543 . . . . 3.38 109.822 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -136.52 -105.24 0.75 Allowed Glycine 0 CA--C 1.507 -0.453 0 C-N-CA 120.287 -0.959 . . . . 2.45 113.432 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . 0.614 ' HA ' ' NH2' ' A' ' 569' ' ' ARG . 0.0 OUTLIER -130.0 24.4 5.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.955 0.407 . . . . 3.35 111.755 -171.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -65.19 119.95 11.82 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.721 -0.672 . . . . 2.25 111.171 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 27.5 mm -93.02 -49.22 13.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.331 -0.849 . . . . 1.29 109.157 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -108.98 120.15 41.69 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.902 -1.044 . . . . 1.16 110.146 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.0 pt -120.27 176.79 3.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.441 -0.8 . . . . 1.11 111.675 -171.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 490' ' ' ALA . 14.1 tppt? -119.36 116.72 26.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.121 -0.945 . . . . 2.28 109.455 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.518 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 36.2 mt -117.12 153.17 33.25 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.459 -0.337 . . . . 1.3 110.823 -178.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.689 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.4 m95 -119.18 123.34 44.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.676 -0.49 . . . . 0.39 109.676 169.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.569 HD22 ' SD ' ' A' ' 554' ' ' MET . 53.3 tp -77.97 102.64 7.47 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.03 -0.532 . . . . 1.13 109.923 175.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -87.84 126.32 34.96 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.955 -0.566 . . . . 3.84 110.237 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 25.5 mm -90.49 115.51 29.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.083 -0.508 . . . . 1.23 109.808 179.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -88.84 -50.59 6.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.823 -0.626 . . . . 1.52 111.608 -173.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -135.03 101.15 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.111 -0.495 . . . . 0.71 109.823 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.444 ' CG2' ' HB2' ' A' ' 516' ' ' TYR . 2.1 pp -75.29 -11.26 14.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 1.34 111.919 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -80.56 -9.32 59.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.465 0.65 . . . . 3.57 110.109 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . 0.508 ' HE2' ' O ' ' A' ' 482' ' ' GLU . 52.2 tptt -89.96 -15.33 32.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.408 -0.815 . . . . 3.59 109.2 175.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 32.1 mt -100.26 166.03 11.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.391 -0.822 . . . . 1.15 111.103 -174.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -114.93 48.91 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.968 0.413 . . . . 3.74 110.796 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.71 -169.37 23.89 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.828 -0.701 . . . . 1.11 111.855 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -97.9 110.16 22.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.07 0.462 . . . . 3.9 110.294 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.821 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 34.1 m-85 -138.54 167.28 22.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.685 -0.689 . . . . 1.14 109.566 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 519' ' ' ASN . 53.0 mtmt -111.91 143.79 42.3 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.369 -0.604 . . . . 2.47 109.369 173.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -78.68 36.6 0.27 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.244 0.545 . . . . 2.29 111.656 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 517' ' ' LYS . 67.0 t30 -167.18 28.25 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.199 -0.91 . . . . 3.24 108.653 176.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.61 146.83 25.56 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.222 -0.899 . . . . 1.52 109.576 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.559 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -141.87 121.8 13.63 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.341 0.591 . . . . 1.12 110.336 177.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.515 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 87.0 mt -103.19 106.24 19.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 114.989 -1.005 . . . . 1.11 110.376 -177.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.689 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 19.3 tt0 -72.39 129.28 38.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.881 -0.599 . . . . 0.6 110.539 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . 0.416 ' CD2' HG12 ' A' ' 536' ' ' VAL . 45.4 p90 -147.41 151.24 36.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 0.27 110.082 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 7.1 m -92.29 144.26 25.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.42 -0.585 . . . . 1.71 109.42 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -135.38 115.22 12.98 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.029 -0.668 . . . . 0.27 111.067 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.405 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.5 t70 -84.25 110.68 18.74 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.582 -0.896 . . . . 0.58 108.582 171.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.94 -1.46 7.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.896 -0.593 . . . . 1.09 112.372 -173.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -113.11 -23.73 9.84 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.277 -0.169 . . . . 2.18 111.288 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -114.44 -49.92 2.81 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.752 0.649 . . . . 4.71 112.752 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.72 151.9 46.53 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.529 0.68 . . . . 0.61 112.546 -170.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 97.8 t -121.78 126.84 26.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 114.832 -1.076 . . . . 1.1 109.181 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.423 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 64.2 Cg_exo -53.87 -41.21 76.61 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.544 2.829 . . . . 0.29 113.855 -176.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.84 -26.16 61.37 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.779 -0.368 . . . . 2.34 111.297 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.92 -42.12 67.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.322 0.582 . . . . 1.09 109.585 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.416 HG12 ' CD2' ' A' ' 524' ' ' PHE . 89.6 t -64.49 -41.71 93.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.568 -0.742 . . . . 1.08 110.532 176.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.48 -19.69 66.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.714 -0.395 . . . . 1.01 110.612 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.551 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 0.0 OUTLIER -73.61 -47.73 38.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.37 -0.377 . . . . 1.08 110.494 175.383 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 536' ' ' VAL . 11.3 pt-20 -66.37 -27.19 67.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.065 0.46 . . . . 2.07 109.884 178.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.401 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.1 mtt -58.16 -44.52 87.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.422 -0.808 . . . . 1.05 110.422 171.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 69.6 t -70.04 -45.66 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.772 -0.649 . . . . 1.08 110.699 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 56.9 mt-10 -59.79 -36.51 76.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.77 111.298 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.8 m -85.18 1.09 49.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.388 -0.369 . . . . 1.71 111.499 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 87.4 -5.61 84.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.764 . . . . 0.54 113.407 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.458 ' HB3' ' CD1' ' A' ' 522' ' ' ILE . 52.2 m-85 -63.36 -56.1 19.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.035 0.445 . . . . 1.08 110.8 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 93.4 t -107.06 144.42 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.556 -0.747 . . . . 1.05 110.789 -176.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.821 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 35.5 t -76.57 143.85 40.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.495 -0.775 . . . . 1.24 109.287 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -6.81 8.22 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.542 0.571 . . . . 2.72 112.542 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -91.07 -11.41 61.44 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.013 -0.613 . . . . 0.32 112.702 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 554' ' ' MET . 53.1 m-20 -115.52 19.18 15.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.883 0.373 . . . . 1.23 110.818 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -54.63 -54.08 46.3 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.834 -0.621 . . . . 0.3 111.915 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -73.19 -29.75 63.05 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.093 -0.243 . . . . 3.4 111.281 -175.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 99.2 m -61.71 -45.08 95.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.377 -0.374 . . . . 1.07 110.658 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.569 ' SD ' HD22 ' A' ' 504' ' ' LEU . 24.5 mmt -68.14 -43.34 78.52 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.181 0.515 . . . . 1.01 110.477 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.03 -35.2 77.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.381 -0.827 . . . . 1.04 111.182 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.544 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 2.6 tmtp? -65.39 -41.49 93.63 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.998 -0.741 . . . . 2.3 108.998 178.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.49 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -58.7 -43.19 89.97 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.243 0.544 . . . . 1.0 110.251 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 554' ' ' MET . 62.9 mt -63.77 -50.72 76.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.219 -0.901 . . . . 1.05 109.988 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -61.07 -40.01 92.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.724 . . . . 2.69 110.843 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.57 -43.95 95.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 1.03 110.301 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -66.41 -48.5 69.86 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.131 -0.486 . . . . 2.1 110.484 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 558' ' ' ILE . 91.8 t -59.78 -37.65 72.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 1.05 111.248 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' SER . . . . . 0.476 ' O ' ' HG2' ' A' ' 567' ' ' ARG . 23.0 t -59.67 -50.26 74.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.022 -0.362 . . . . 1.44 110.022 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.05 -43.08 99.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 2.3 110.599 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.47 -54.48 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.574 -0.739 . . . . 1.1 111.096 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 569' ' ' ARG . 97.5 mttt -59.93 -32.96 71.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 1.39 111.579 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 563' ' ' SER . 21.6 mmm180 -63.03 -44.19 96.6 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.945 0.402 . . . . 3.48 110.644 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -73.16 -26.73 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.86 -0.609 . . . . 3.89 110.276 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . 0.614 ' NH2' ' HA ' ' A' ' 496' ' ' GLU . 1.4 mmp_? -67.48 -38.94 85.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.633 -0.712 . . . . 3.62 110.96 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -64.81 -57.55 8.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.556 -0.747 . . . . 2.16 111.864 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 57.94 58.59 3.53 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.679 -0.489 . . . . 5.94 109.679 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 . . . . . 0 C--O 1.251 1.15 0 CA-C-N 115.33 -0.85 . . . . 8.81 110.641 -176.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 112.157 -0.377 . . . . 9.82 112.157 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -117.62 129.44 55.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.052 0.453 . . . . 7.34 110.48 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 56.3 ttp -70.08 -30.38 67.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.674 -0.694 . . . . 11.23 109.559 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -81.28 146.72 58.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.56 -0.746 . . . . 7.18 109.129 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.81 47.54 0.05 OUTLIER 'Trans proline' 0 N--CA 1.48 0.68 0 C-N-CA 124.334 3.356 . . . . 7.93 114.817 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -78.48 -41.28 33.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.88 -0.785 . . . . 8.01 108.88 171.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -81.2 72.2 8.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.175 -0.921 . . . . 6.03 109.054 175.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -89.18 -15.42 33.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.404 -0.816 . . . . 5.92 111.561 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 4.8 m -84.29 144.03 29.15 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.725 -0.472 . . . . 1.91 109.725 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.404 ' C ' ' HB3' ' A' ' 507' ' ' GLU . . . -79.9 33.73 2.15 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 121.407 -0.425 . . . . 1.18 113.564 -173.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.611 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -154.18 163.48 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.633 0.254 . . . . 1.14 110.67 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.432 ' HD3' ' N ' ' A' ' 487' ' ' VAL . 16.6 tpp85 -166.51 125.38 1.48 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 3.43 110.676 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 57.6 t -87.64 143.21 11.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.285 -0.87 . . . . 1.05 110.567 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -120.28 160.49 22.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.991 0.424 . . . . 2.01 110.7 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 502' ' ' LEU . 74.9 mt -83.77 131.1 34.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.437 -0.801 . . . . 1.12 110.082 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.625 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -74.66 -22.86 58.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.952 0.882 . . . . 1.04 109.087 172.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -122.44 -171.23 2.23 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.06 -1.427 . . . . 2.02 108.629 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -110.13 133.37 53.28 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.926 -0.398 . . . . 2.36 109.926 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -101.48 123.17 45.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.37 -0.377 . . . . 1.37 110.544 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -167.96 76.7 0.14 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.207 0.527 . . . . 3.38 110.337 174.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 177.87 -112.87 0.39 Allowed Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 120.782 -0.723 . . . . 2.45 111.99 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -141.9 31.09 1.62 Allowed 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.627 -0.509 . . . . 3.35 109.627 -175.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -58.92 135.89 57.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.768 -0.651 . . . . 2.25 111.866 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 22.2 mm -99.94 -36.29 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.116 -0.947 . . . . 1.29 110.437 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -131.07 123.14 28.02 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.215 0.531 . . . . 1.16 110.808 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 15.6 pt -125.01 179.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.725 -0.671 . . . . 1.11 111.559 -172.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -120.78 116.31 24.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.615 -0.72 . . . . 2.28 109.793 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.499 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 58.7 mt -112.88 159.47 19.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.887 -0.597 . . . . 1.3 111.285 -176.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.74 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.2 m95 -126.45 120.06 28.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.79 -0.448 . . . . 0.39 109.79 169.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 46.0 tp -75.3 99.74 4.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.271 -0.422 . . . . 1.13 110.357 177.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 520' ' ' GLU . 48.7 mtp180 -93.51 126.92 38.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.841 -0.618 . . . . 3.84 110.852 177.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.493 ' HA ' HG12 ' A' ' 485' ' ' VAL . 20.2 mm -79.65 119.17 28.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.662 -0.496 . . . . 1.23 109.662 177.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.434 ' H ' ' HA ' ' A' ' 485' ' ' VAL . 18.2 tp10 -81.59 -48.69 11.44 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.542 -0.754 . . . . 1.52 110.238 -176.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.488 ' OD1' ' HG3' ' A' ' 510' ' ' LYS . 11.8 t70 -130.96 108.49 9.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.21 -0.45 . . . . 0.71 110.057 175.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.6 -20.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.048 0.758 . . . . 1.34 113.048 -174.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . 0.488 ' HG3' ' OD1' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -91.76 -15.45 28.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 3.57 111.368 -174.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -70.76 -21.9 62.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.293 0.568 . . . . 3.59 110.094 170.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . 0.444 ' CD2' HG23 ' A' ' 553' ' ' THR . 22.4 mt -85.43 160.62 19.7 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.249 -0.887 . . . . 1.15 109.761 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -92.8 -15.33 26.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.365 0.602 . . . . 3.74 109.466 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -87.54 -179.57 47.94 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 114.882 -1.053 . . . . 1.11 112.055 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -108.94 109.75 20.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.833 0.349 . . . . 3.9 110.245 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.587 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 87.9 m-85 -132.48 156.71 46.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.894 0.378 . . . . 1.14 110.54 -177.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.402 ' C ' ' H ' ' A' ' 519' ' ' ASN . 51.8 mtmt -91.76 149.73 21.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.54 -0.754 . . . . 2.47 109.803 176.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -81.83 34.0 0.39 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.457 0.646 . . . . 2.29 111.975 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 517' ' ' LYS . 66.7 t30 -161.07 24.29 0.13 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.05 -0.977 . . . . 3.24 108.775 174.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 7.1 tp10 -82.46 130.29 35.08 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.121 -0.945 . . . . 1.52 110.017 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.546 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -136.52 118.43 15.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.769 -0.65 . . . . 1.12 110.711 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.513 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 86.4 mt -101.1 107.21 20.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.247 -0.888 . . . . 1.11 110.807 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.74 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 29.6 tt0 -71.3 132.31 44.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.004 0.431 . . . . 0.6 111.055 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -151.69 139.92 20.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.734 -0.666 . . . . 0.27 109.651 176.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 10.0 p -83.48 143.62 30.11 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.57 -0.53 . . . . 1.71 109.57 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -134.22 117.61 16.68 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.007 -0.677 . . . . 0.27 111.314 -175.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.58 113.51 21.87 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.378 -0.971 . . . . 0.58 108.378 170.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 58.4 mt -67.92 -10.66 55.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.932 -0.576 . . . . 1.09 111.879 -172.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -103.42 -46.73 4.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.9 0.381 . . . . 2.18 110.6 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -86.26 -54.08 4.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.581 0.586 . . . . 4.71 112.581 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -67.19 147.32 53.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.446 0.641 . . . . 0.61 112.052 -171.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 99.1 t -122.72 131.63 24.35 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.032 -0.985 . . . . 1.1 109.196 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -51.35 -37.47 60.76 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.855 3.037 . . . . 0.29 113.685 -176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.14 -33.54 61.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.583 0.23 . . . . 2.34 111.286 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -66.09 -45.09 82.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.053 0.454 . . . . 1.09 110.058 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 93.3 t -61.39 -42.06 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.56 -0.746 . . . . 1.08 110.937 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.614 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.66 -24.33 67.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 1.01 110.989 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.429 ' HG2' ' NE2' ' A' ' 551' ' ' HIS . 8.2 mm100 -70.14 -43.88 70.03 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.844 0.354 . . . . 1.08 110.192 174.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -59.47 -39.74 84.66 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.497 0.665 . . . . 2.07 109.491 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 55.1 mtt -58.26 -41.93 85.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.851 -1.068 . . . . 1.05 111.393 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 537' ' ' ALA . 92.9 t -67.91 -42.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.891 -0.595 . . . . 1.08 111.064 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.78 -45.24 93.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.77 111.538 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 41.4 t -67.75 -22.23 65.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 1.71 111.112 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 106.9 -3.5 35.89 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.629 -0.796 . . . . 0.54 112.464 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -64.63 -61.85 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.458 . . . . 1.08 110.957 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.603 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 94.3 t -103.0 142.38 17.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.937 -0.574 . . . . 1.05 111.369 -174.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.66 138.87 37.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.16 -0.927 . . . . 1.24 108.855 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.494 ' CD ' ' H ' ' A' ' 548' ' ' GLU . 0.3 OUTLIER -67.65 -7.1 23.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.098 -0.501 . . . . 2.72 111.342 -177.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.92 -12.45 82.65 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.939 -0.648 . . . . 0.32 111.84 174.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -129.38 28.71 5.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.004 0.43 . . . . 1.23 110.889 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . 0.429 ' NE2' ' HG2' ' A' ' 538' ' ' GLN . 21.1 t-80 -58.39 -47.28 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.3 109.935 176.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -65.57 -35.05 79.71 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.528 -0.76 . . . . 3.4 110.939 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' THR . . . . . 0.444 HG23 ' CD2' ' A' ' 512' ' ' LEU . 8.8 m -61.77 -49.22 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 1.07 110.854 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.573 ' O ' HG13 ' A' ' 558' ' ' ILE . 23.1 mmt -67.92 -42.4 81.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.858 -0.61 . . . . 1.01 110.756 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.4 74.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.844 -0.616 . . . . 1.04 110.307 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -66.96 -35.8 80.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.887 -0.597 . . . . 2.3 110.339 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.611 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -66.76 -43.96 82.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.309 0.576 . . . . 1.0 110.221 175.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.575 ' O ' HG23 ' A' ' 562' ' ' VAL . 58.2 mt -63.0 -53.01 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.921 -1.036 . . . . 1.05 109.897 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 5.4 tmtt? -57.96 -44.93 87.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.484 -0.78 . . . . 2.69 109.856 -178.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -51.82 -58.1 7.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.609 -0.723 . . . . 1.03 111.157 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 561' ' ' ARG . 10.5 tpp180 -60.94 -47.39 86.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.574 -0.285 . . . . 2.1 111.292 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 558' ' ' ILE . 92.0 t -56.78 -32.29 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 1.05 111.254 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 60.6 m -60.24 -52.96 63.08 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 122.062 0.145 . . . . 1.44 110.632 175.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 7.9 mp -53.19 -48.43 68.06 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 120.841 0.353 . . . . 2.3 111.083 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 97.9 mt -57.49 -53.03 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.568 -0.742 . . . . 1.1 111.628 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 97.5 mttt -64.91 -30.89 71.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.479 -0.328 . . . . 1.39 111.04 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -64.7 -34.09 77.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.035 0.445 . . . . 3.48 110.446 176.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . 0.507 ' HB3' ' HZ2' ' A' ' 568' ' ' LYS . 7.8 mtpm? -72.63 -27.57 62.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.028 -0.533 . . . . 3.89 110.424 177.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -81.89 -10.94 59.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.674 -0.694 . . . . 3.62 111.417 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 17.5 mm-40 -67.1 -15.76 63.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.311 0.577 . . . . 2.16 110.555 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -130.77 158.05 41.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.229 -0.896 . . . . 5.94 109.039 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 . . . . . 0 C--O 1.244 0.773 0 CA-C-O 119.054 -0.498 . . . . 8.81 110.585 178.911 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.419 -0.672 . . . . 9.82 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -139.47 135.23 33.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.81 0.338 . . . . 7.34 111.558 -175.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -94.26 -10.41 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.855 -0.794 . . . . 11.23 108.855 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -94.94 159.34 33.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 114.62 -1.173 . . . . 7.18 109.693 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -37.33 132.05 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 124.003 3.136 . . . . 7.93 113.234 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.2 134.52 49.72 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.971 -0.559 . . . . 8.01 111.718 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 74.95 114.9 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.492 -1.231 . . . . 6.03 111.191 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.22 -29.11 68.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.906 -1.043 . . . . 5.92 110.441 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 1.7 m -78.66 111.57 14.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.851 -0.613 . . . . 1.91 109.591 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.404 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -77.14 47.58 2.63 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.916 -0.659 . . . . 1.18 113.693 -173.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.532 ' CG2' ' HB1' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -154.75 161.21 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.204 0.526 . . . . 1.14 111.04 178.824 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.477 ' HD2' ' H ' ' A' ' 487' ' ' VAL . 12.1 tpt180 -161.56 133.86 5.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.023 -0.99 . . . . 3.43 109.856 175.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.477 ' H ' ' HD2' ' A' ' 486' ' ' ARG . 61.6 t -105.55 125.19 60.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.048 -0.524 . . . . 1.05 110.927 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.407 ' HG3' ' NH1' ' A' ' 505' ' ' ARG . 11.7 mm-40 -115.58 160.93 19.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.237 -0.892 . . . . 2.01 110.774 -176.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . . . . . . . . . 22.8 mt -87.75 131.29 34.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.046 -0.524 . . . . 1.12 111.213 -176.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.546 ' HB1' ' CD1' ' A' ' 503' ' ' TRP . . . -88.04 -4.53 58.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.306 0.574 . . . . 1.04 110.324 177.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -146.24 -176.31 5.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.455 -0.793 . . . . 2.02 109.56 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.88 121.38 27.64 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.85 0.357 . . . . 2.36 110.617 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -80.86 86.87 5.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.499 0.666 . . . . 1.37 110.401 177.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 497' ' ' LYS . 5.9 t70 -160.2 -165.69 1.52 Allowed 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 107.013 -1.477 . . . . 3.38 107.013 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 71.02 -2.7 16.63 Favored Glycine 0 C--N 1.311 -0.838 0 O-C-N 123.235 0.334 . . . . 2.45 113.905 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 67.44 29.7 7.21 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.634 0.731 . . . . 3.35 109.825 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 494' ' ' ASP . 45.7 mtmt -71.87 129.61 39.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.848 -1.069 . . . . 2.25 110.036 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 22.9 mm -82.35 -33.26 11.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.465 0.65 . . . . 1.29 110.244 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -105.75 127.38 53.05 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.389 -0.823 . . . . 1.16 110.703 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.426 ' CD1' HD12 ' A' ' 565' ' ' ILE . 7.9 pt -123.71 179.02 2.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.479 -0.782 . . . . 1.11 110.991 -175.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . 0.42 ' HE2' ' HG2' ' A' ' 523' ' ' GLU . 18.7 tptm -127.01 123.4 36.98 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.853 -0.795 . . . . 2.28 108.853 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.444 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 26.8 mt -122.94 167.67 13.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.472 -0.331 . . . . 1.3 111.428 -174.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.677 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.6 m95 -128.97 124.62 35.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.492 . . . . 0.39 109.813 169.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.59 HD22 ' SD ' ' A' ' 554' ' ' MET . 38.3 tp -82.64 98.0 8.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.893 -0.41 . . . . 1.13 109.893 176.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.415 ' HG2' ' CB ' ' A' ' 521' ' ' ALA . 92.7 mtt180 -89.97 128.13 36.18 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.874 -0.603 . . . . 3.84 110.164 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.8 mm -85.69 114.41 25.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.968 -0.382 . . . . 1.23 109.968 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.404 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.7 mm-40 -80.78 -30.48 36.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.19 -0.459 . . . . 1.52 110.941 -178.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -147.25 103.66 3.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.958 0.409 . . . . 0.71 110.098 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.3 pp -74.8 -15.0 15.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 1.34 111.3 -177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -79.54 -27.81 41.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 3.57 110.694 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -66.91 -25.56 66.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 3.59 111.154 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 23.0 mt -92.57 154.2 18.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.699 -0.682 . . . . 1.15 111.477 -171.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -101.16 47.53 0.91 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 3.74 110.199 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -145.56 -161.11 8.96 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.846 -0.692 . . . . 1.11 112.184 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -114.07 97.32 6.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.695 0.283 . . . . 3.9 110.516 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.465 ' HH ' ' HA ' ' A' ' 546' ' ' VAL . 41.5 m-85 -133.14 142.32 48.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.851 0.358 . . . . 1.14 110.168 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.578 ' HZ2' ' HB3' ' A' ' 517' ' ' LYS . 1.6 ttpm? -89.26 148.75 23.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.865 -0.607 . . . . 2.47 110.476 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.22 37.71 0.07 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.188 0.518 . . . . 2.29 111.753 -178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' A' ' 517' ' ' LYS . 25.0 t-20 177.15 60.65 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.615 -1.254 . . . . 3.24 107.615 -178.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . 0.435 ' OE1' ' HB3' ' A' ' 517' ' ' LYS . 40.9 tt0 -139.71 132.12 28.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.624 -0.716 . . . . 1.52 110.732 -172.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.438 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -137.33 136.34 37.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.703 -0.681 . . . . 1.12 110.215 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.515 HD13 ' HB3' ' A' ' 545' ' ' TYR . 94.5 mt -105.48 104.0 16.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.448 -0.796 . . . . 1.11 111.033 -175.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.677 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.9 tt0 -69.53 125.47 26.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.203 -0.908 . . . . 0.6 110.963 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -149.5 142.33 24.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.27 110.067 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 13.4 p -84.57 150.12 25.42 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.077 -0.342 . . . . 1.71 110.077 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -137.77 122.58 18.8 Favored 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 120.292 -0.563 . . . . 0.27 110.437 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -94.13 116.89 29.36 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.73 -0.841 . . . . 0.58 108.73 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.12 -14.25 62.83 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 112.809 0.67 . . . . 1.09 112.809 -170.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -112.67 -31.64 6.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.293 -0.563 . . . . 2.18 111.825 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -86.57 -47.98 8.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.824 0.345 . . . . 4.71 111.765 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -86.26 151.92 23.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.41 0.624 . . . . 0.61 112.187 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 536' ' ' VAL . 76.6 t -124.98 130.72 24.11 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.054 -0.975 . . . . 1.1 109.842 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 86.9 Cg_exo -48.21 -50.88 11.09 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.712 2.274 . . . . 0.29 113.332 -172.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -65.66 -37.27 86.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.32 . . . . 2.34 111.551 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 14.9 t70 -63.18 -39.74 95.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.504 0.668 . . . . 1.09 109.873 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 532' ' ' VAL . 94.3 t -71.77 -37.53 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.068 -0.969 . . . . 1.08 111.289 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.58 ' O ' HG22 ' A' ' 541' ' ' VAL . . . -65.72 -22.97 66.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.815 -0.354 . . . . 1.01 110.262 176.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.433 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 11.5 mm100 -70.76 -44.35 66.93 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.671 -0.492 . . . . 1.08 109.671 172.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . 0.458 ' HG3' ' HA ' ' A' ' 536' ' ' VAL . 20.2 mt-10 -57.45 -41.67 80.98 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.028 -0.73 . . . . 2.07 109.028 175.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.407 ' HG3' ' O ' ' A' ' 536' ' ' VAL . 50.4 mtt -55.49 -44.54 76.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.155 -0.929 . . . . 1.05 111.196 177.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.58 HG22 ' O ' ' A' ' 537' ' ' ALA . 52.1 t -66.76 -46.02 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.317 -0.402 . . . . 1.08 110.479 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 45.5 mt-10 -65.22 -36.2 83.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.529 . . . . 0.77 111.762 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.8 m -74.98 -12.1 60.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 1.71 111.412 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 91.26 23.93 28.06 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.69 -0.766 . . . . 0.54 112.506 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.515 ' HB3' HD13 ' A' ' 522' ' ' ILE . 39.0 m-85 -93.12 -55.18 3.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.178 0.513 . . . . 1.08 110.815 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 98.5 t -112.53 146.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.554 -0.748 . . . . 1.05 111.219 -172.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 44.4 t -78.6 136.99 37.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.035 -0.728 . . . . 1.24 109.035 173.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.6 -22.09 55.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.941 -0.572 . . . . 2.72 111.703 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -68.84 -25.86 74.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.065 -0.588 . . . . 0.32 112.495 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -114.43 30.04 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.118 0.485 . . . . 1.23 111.107 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -56.82 -46.35 81.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.62 -0.718 . . . . 0.3 110.453 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -67.28 -35.43 79.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 3.4 110.813 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 11.3 m -59.44 -50.36 74.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.634 -0.712 . . . . 1.07 110.769 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.59 ' SD ' HD22 ' A' ' 504' ' ' LEU . 23.4 mmt -68.82 -45.21 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.864 -0.607 . . . . 1.01 110.675 -177.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.44 -31.6 71.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.533 -0.758 . . . . 1.04 111.024 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 5.1 tmtm? -64.52 -45.65 86.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.023 -0.732 . . . . 2.3 109.023 177.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.532 ' HB1' ' CG2' ' A' ' 485' ' ' VAL . . . -60.6 -43.66 97.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.489 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 554' ' ' MET . 54.8 mt -62.85 -50.68 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.416 -0.811 . . . . 1.05 109.659 178.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 2.9 tmtp? -61.5 -48.03 82.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.535 -0.757 . . . . 2.69 110.403 -176.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -55.09 -45.6 75.45 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.364 -0.38 . . . . 1.03 111.1 -177.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.45 ' HA ' ' HD3' ' A' ' 561' ' ' ARG . 0.4 OUTLIER -70.21 -44.7 68.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.083 -0.508 . . . . 2.1 110.948 179.372 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' ' 558' ' ' ILE . 76.2 t -60.81 -36.32 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 1.05 111.073 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.0 t -59.81 -43.1 94.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.42 . . . . 1.44 110.159 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 71.6 mt -66.74 -44.13 82.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.542 0.687 . . . . 2.3 110.351 177.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.426 HD12 ' CD1' ' A' ' 500' ' ' ILE . 86.4 mt -60.23 -49.37 84.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.006 -0.997 . . . . 1.1 111.401 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.513 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 95.1 mttt -67.07 -30.64 70.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.873 -0.603 . . . . 1.39 111.552 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.426 ' HD2' ' OE1' ' A' ' 570' ' ' GLU . 29.4 tpt180 -57.61 -41.72 81.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 3.48 111.092 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -66.89 -28.45 68.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.325 0.583 . . . . 3.89 110.268 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . 0.512 ' HG3' HH11 ' A' ' 569' ' ' ARG . 53.1 mtt85 -83.46 -16.05 47.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.409 -0.814 . . . . 3.62 111.682 -178.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 566' ' ' LYS . 32.2 mt-10 -73.65 -17.3 61.17 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.404 -0.591 . . . . 2.16 109.404 175.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 63.78 -165.25 0.24 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.907 -1.042 . . . . 5.94 110.728 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.852 -0.594 . . . . 8.81 109.79 177.768 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.724 -0.55 . . . . 9.82 111.724 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -108.85 123.94 49.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.784 0.292 . . . . 7.34 110.73 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -82.62 -5.52 58.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.305 0.574 . . . . 11.23 109.868 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -98.45 142.79 25.18 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.403 -0.817 . . . . 7.18 110.385 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.55 5.21 5.72 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.902 2.401 . . . . 7.93 112.522 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -86.75 -12.07 49.23 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.993 0.425 . . . . 8.01 110.414 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 72.06 35.62 1.26 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.196 -0.911 . . . . 6.03 109.945 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -77.18 93.79 3.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.872 -0.603 . . . . 5.92 109.811 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 2.1 m -80.48 -17.2 52.36 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.966 -0.561 . . . . 1.91 110.786 -178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 75.88 3.66 74.74 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.087 -0.577 . . . . 1.18 112.347 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 1.6 m -147.58 158.11 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 122.634 0.374 . . . . 1.14 110.176 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -173.47 141.06 0.86 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.432 -0.804 . . . . 3.43 109.052 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.611 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 64.6 t -109.34 140.64 27.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 C-N-CA 120.822 -0.351 . . . . 1.05 110.675 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.475 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 28.6 mt-10 -122.87 164.77 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 2.01 110.583 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.47 ' HG ' ' NH2' ' A' ' 561' ' ' ARG . 92.3 mt -86.79 138.99 31.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.764 -0.653 . . . . 1.12 110.737 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -89.12 -12.99 39.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.785 0.802 . . . . 1.04 109.506 174.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.89 -170.12 2.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.705 -1.134 . . . . 2.02 109.424 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -110.73 96.24 6.05 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.99 0.424 . . . . 2.36 110.454 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.22 88.71 2.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.883 -0.599 . . . . 1.37 110.904 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -123.96 -19.16 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.603 . . . . 3.38 110.915 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -87.15 -114.69 1.01 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.07 -0.586 . . . . 2.45 112.505 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -149.03 53.46 0.97 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 122.83 0.452 . . . . 3.35 109.939 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -68.47 135.56 51.84 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.105 0.479 . . . . 2.25 111.093 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 23.2 mm -89.57 -29.0 5.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.809 -0.811 . . . . 1.29 108.809 172.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . 0.476 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -128.94 122.85 31.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.087 -0.96 . . . . 1.16 110.214 178.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 12.6 pt -112.75 177.39 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.739 -0.664 . . . . 1.11 110.954 -175.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -127.48 112.96 15.54 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.992 -0.744 . . . . 2.28 108.992 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.611 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 42.5 mt -115.79 162.54 17.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.342 -0.39 . . . . 1.3 111.542 -173.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.635 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.3 m95 -125.05 121.51 34.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.495 -0.557 . . . . 0.39 109.495 168.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 23.7 tp -74.27 107.89 6.72 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.735 -0.469 . . . . 1.13 109.735 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -98.45 130.11 45.06 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.161 -0.472 . . . . 3.84 110.849 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . 0.435 ' CG2' HG23 ' A' ' 509' ' ' ILE . 26.0 mm -93.31 112.15 25.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.095 -0.502 . . . . 1.23 109.837 177.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -81.97 -53.49 6.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.034 -0.53 . . . . 1.52 110.869 -177.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -128.62 103.77 7.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.954 -0.566 . . . . 0.71 109.71 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 506' ' ' ILE . 2.2 pp -74.72 -18.85 16.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 1.34 111.488 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.12 -25.14 59.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.257 -0.429 . . . . 3.57 110.79 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -19.15 61.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.184 -0.462 . . . . 3.59 110.679 176.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 29.2 mt -99.94 149.29 23.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.97 -0.559 . . . . 1.15 110.676 -176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -97.54 75.85 2.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.473 -0.566 . . . . 3.74 109.473 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -169.56 -151.44 7.33 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.798 -0.715 . . . . 1.11 111.841 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -132.0 103.41 6.27 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.597 -0.52 . . . . 3.9 109.597 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -138.32 155.46 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.007 -0.542 . . . . 1.14 110.512 -173.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 519' ' ' ASN . 87.2 mttt -89.37 147.29 24.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.349 -0.611 . . . . 2.47 109.349 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.64 26.12 0.32 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.892 0.853 . . . . 2.29 111.25 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . 0.487 ' H ' ' C ' ' A' ' 517' ' ' LYS . 28.5 p-10 -160.43 24.06 0.16 Allowed 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.464 -1.244 . . . . 3.24 108.738 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 33.9 tt0 -81.31 133.44 35.43 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.275 -0.875 . . . . 1.52 110.133 -174.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -133.44 118.85 18.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.794 -0.639 . . . . 1.12 110.506 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.497 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 95.5 mt -102.52 105.1 17.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.208 -0.905 . . . . 1.11 110.554 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.635 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.1 tt0 -69.08 129.7 40.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.68 -0.691 . . . . 0.6 111.331 -178.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -153.06 140.9 20.12 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.582 -0.525 . . . . 0.27 109.582 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 19.7 m -88.28 145.27 25.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.849 -0.426 . . . . 1.71 109.849 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -131.7 114.83 15.25 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.892 -0.323 . . . . 0.27 110.499 -175.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . 0.476 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.0 t70 -81.1 114.42 19.93 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.642 -0.873 . . . . 0.58 108.642 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.98 -18.69 64.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.11 -0.496 . . . . 1.09 111.642 -173.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.48 -40.85 5.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.167 -0.47 . . . . 2.18 111.228 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . 0.577 ' NE ' ' HA ' ' A' ' 530' ' ' ARG . 3.0 mmp_? -93.52 -40.47 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.247 0.832 . . . . 4.71 113.247 -177.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.97 152.82 30.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.357 0.599 . . . . 0.61 111.825 -174.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 83.4 t -125.79 133.71 25.17 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.303 -0.862 . . . . 1.1 109.449 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 44.8 Cg_exo -56.99 -38.54 95.79 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.343 2.696 . . . . 0.29 113.007 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -78.42 -24.04 46.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.134 -0.485 . . . . 2.34 110.932 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.446 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 8.2 t70 -73.18 -44.77 59.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.423 0.63 . . . . 1.09 109.58 178.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.17 -40.87 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.359 -0.837 . . . . 1.08 110.903 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.622 ' O ' HG21 ' A' ' 541' ' ' VAL . . . -64.94 -24.72 67.61 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.868 -0.333 . . . . 1.01 110.895 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.413 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 11.7 mm100 -66.45 -45.69 78.94 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.953 0.406 . . . . 1.08 110.02 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -59.83 -41.53 91.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.713 -0.676 . . . . 2.07 109.64 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.503 ' SD ' HD23 ' A' ' 504' ' ' LEU . 53.4 mtt -56.4 -43.18 79.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.177 -0.92 . . . . 1.05 110.968 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.622 HG21 ' O ' ' A' ' 537' ' ' ALA . 95.3 t -68.18 -50.54 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.855 -0.611 . . . . 1.08 110.925 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.01 -36.01 82.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.782 0.325 . . . . 0.77 111.385 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 19.3 t -72.49 -16.34 61.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.198 -0.456 . . . . 1.71 111.133 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 99.59 1.36 56.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.749 . . . . 0.54 112.652 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.451 ' HB3' HD12 ' A' ' 522' ' ' ILE . 41.0 m-85 -73.12 -43.61 61.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.023 0.44 . . . . 1.08 111.034 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 90.1 t -121.23 148.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.895 -0.593 . . . . 1.05 110.764 -175.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 40.8 t -87.8 134.9 33.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.482 -0.932 . . . . 1.24 108.482 173.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . 0.444 ' HB2' HG11 ' A' ' 541' ' ' VAL . 31.4 tt0 -60.62 -20.41 60.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.961 -0.563 . . . . 2.72 111.316 -174.173 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -65.99 -19.91 68.25 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.051 -0.595 . . . . 0.32 112.069 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.97 27.91 7.46 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.848 0.356 . . . . 1.23 111.39 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -55.15 -49.5 71.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.3 109.98 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -62.71 -37.42 86.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 3.4 111.041 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 19.1 m -60.59 -47.52 85.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 1.07 110.845 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.594 ' O ' HG13 ' A' ' 558' ' ' ILE . 25.0 mmt -70.28 -45.48 66.26 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.917 -0.583 . . . . 1.01 110.757 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.98 75.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.661 -0.7 . . . . 1.04 110.541 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . 0.506 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 6.4 tmtm? -66.23 -44.9 82.47 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.907 -0.775 . . . . 2.3 108.907 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -55.45 -45.74 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.263 0.554 . . . . 1.0 110.296 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.594 HG13 ' O ' ' A' ' 554' ' ' MET . 51.9 mt -62.52 -50.04 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.238 -0.892 . . . . 1.05 110.164 177.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -65.88 -34.7 78.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.635 -0.711 . . . . 2.69 110.73 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -61.42 -48.41 81.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.903 -0.59 . . . . 1.03 110.774 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.648 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.8 tpt180 -67.06 -48.84 67.03 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.279 -0.419 . . . . 2.1 110.326 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 558' ' ' ILE . 96.6 t -57.63 -35.04 48.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.049 -0.523 . . . . 1.05 111.215 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 13.4 t -64.3 -48.13 76.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.758 -0.201 . . . . 1.44 110.81 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -69.95 -32.9 71.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.298 0.57 . . . . 2.3 110.161 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.71 -58.07 8.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.353 -0.839 . . . . 1.1 110.852 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.85 -33.0 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 1.39 111.255 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . 0.541 ' HD3' ' OE1' ' A' ' 570' ' ' GLU . 13.1 tpp180 -57.11 -35.22 69.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.05 0.452 . . . . 3.48 110.662 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -70.64 -31.03 67.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 3.89 110.24 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . 0.588 ' N ' ' HD2' ' A' ' 569' ' ' ARG . 0.4 OUTLIER -75.12 -18.74 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.947 -0.57 . . . . 3.62 111.093 178.438 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.541 ' OE1' ' HD3' ' A' ' 567' ' ' ARG . 22.6 mt-10 -78.53 -24.36 45.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.342 0.591 . . . . 2.16 109.504 174.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -80.96 80.38 7.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.325 -0.852 . . . . 5.94 110.143 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 572' ' ' ARG . 14.2 mmm-85 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.48 -0.771 . . . . 8.81 109.497 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.932 -0.467 . . . . 9.82 111.932 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -147.96 23.6 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.524 0.162 . . . . 7.34 110.663 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 90.5 mtp 68.16 -66.28 0.23 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.153 0.581 . . . . 11.23 109.927 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -79.64 150.29 72.68 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.867 -0.606 . . . . 7.18 109.573 174.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.93 74.02 1.86 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.624 2.216 . . . . 7.93 111.587 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 40.41 64.87 0.85 Allowed 'General case' 0 C--O 1.237 0.396 0 C-N-CA 123.982 0.913 . . . . 8.01 111.405 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -75.98 52.98 0.74 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.379 -0.828 . . . . 6.03 110.574 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . 0.442 ' O ' ' HE3' ' A' ' 511' ' ' LYS . 10.4 pt-20 -139.22 17.63 2.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.137 -0.938 . . . . 5.92 108.767 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.458 ' HA ' HG22 ' A' ' 553' ' ' THR . 5.3 p -115.03 -76.89 0.57 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.472 -0.786 . . . . 1.91 111.756 -175.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.51 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . 67.45 35.27 86.74 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.023 -1.084 . . . . 1.18 110.472 -170.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.515 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -151.67 162.8 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 114.778 -0.711 . . . . 1.14 110.092 178.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 505' ' ' ARG . 9.0 tpp180 -160.18 141.65 12.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.822 -0.626 . . . . 3.43 110.265 174.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.429 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 58.9 t -113.92 134.44 56.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 116.105 -0.498 . . . . 1.05 110.22 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -130.12 161.98 29.85 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.691 -0.686 . . . . 2.01 110.686 -178.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.01 128.58 34.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.065 -0.97 . . . . 1.12 110.732 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.524 ' HB1' ' CD1' ' A' ' 503' ' ' TRP . . . -75.05 -13.97 60.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.487 0.66 . . . . 1.04 110.074 176.104 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -145.39 -178.25 5.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.032 -0.986 . . . . 2.02 110.013 -172.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -85.29 124.01 31.42 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.953 -0.388 . . . . 2.36 109.953 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -81.8 88.87 6.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.428 0.632 . . . . 1.37 111.361 -176.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . 0.525 ' O ' ' HG2' ' A' ' 497' ' ' LYS . 11.7 t70 -155.85 -154.5 0.49 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 106.365 -1.717 . . . . 3.38 106.365 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 73.77 -3.29 36.13 Favored Glycine 0 C--N 1.312 -0.783 0 C-N-CA 121.194 -0.527 . . . . 2.45 114.379 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 64.75 10.58 6.14 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.985 0.514 . . . . 3.35 111.739 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 494' ' ' ASP . 38.6 pttt -65.78 121.56 15.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.903 -0.59 . . . . 2.25 110.131 175.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . 0.421 HD12 ' HG3' ' A' ' 529' ' ' GLU . 30.0 mm -76.82 -33.19 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.399 0.619 . . . . 1.29 110.597 -175.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -102.71 118.35 36.64 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.636 -0.711 . . . . 1.16 110.817 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . 0.403 ' CD1' HD13 ' A' ' 565' ' ' ILE . 12.0 pt -114.36 -177.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.28 -0.873 . . . . 1.11 110.871 -175.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -129.02 114.76 16.8 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.909 -0.587 . . . . 2.28 110.035 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.429 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 37.9 mt -113.68 161.71 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 1.3 110.406 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.711 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.3 m95 -123.61 126.51 46.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.797 0.332 . . . . 0.39 110.628 172.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 49.5 tp -83.29 97.6 8.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.003 -0.544 . . . . 1.13 110.397 176.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . 0.423 ' HB2' ' O ' ' A' ' 486' ' ' ARG . 38.1 mtp180 -80.12 118.31 21.71 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.699 -0.682 . . . . 3.84 110.748 178.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 24.1 mm -85.75 111.77 21.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.539 -0.541 . . . . 1.23 109.539 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . 0.51 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 11.4 mm-40 -93.55 -43.34 8.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.953 -0.567 . . . . 1.52 112.429 -171.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -143.34 97.48 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.966 0.412 . . . . 0.71 110.522 -176.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.2 pp -74.75 -1.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.4 0.518 . . . . 1.34 112.4 -176.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -77.36 -22.1 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.218 0.533 . . . . 3.57 109.933 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . 0.442 ' HE3' ' O ' ' A' ' 482' ' ' GLU . 14.0 tptp -79.43 -30.8 42.42 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.567 0.698 . . . . 3.59 109.434 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 28.4 mt -85.95 144.47 27.62 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.94 -1.027 . . . . 1.15 110.657 -173.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -101.27 50.4 0.86 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.637 0.732 . . . . 3.74 109.666 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -149.99 176.09 28.8 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.239 -0.892 . . . . 1.11 111.368 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -98.59 76.13 2.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.085 0.469 . . . . 3.9 110.528 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -94.56 179.17 5.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.716 -0.675 . . . . 1.14 110.001 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -109.73 127.78 54.84 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.069 -0.715 . . . . 2.47 109.069 172.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -80.36 37.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.624 0.726 . . . . 2.29 111.068 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -168.67 28.93 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.274 -0.876 . . . . 3.24 110.019 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -123.74 148.57 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.52 111.147 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -128.36 132.58 48.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 1.12 109.958 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.426 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 85.4 mt -104.42 106.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.64 -0.709 . . . . 1.11 111.047 -175.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.711 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.3 tt0 -68.54 125.89 27.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.729 -0.669 . . . . 0.6 110.951 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -140.62 143.78 35.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.434 . . . . 0.27 109.877 176.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.4 p -89.55 142.48 27.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.408 -0.36 . . . . 1.71 110.295 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . 0.408 ' CD1' HD22 ' A' ' 528' ' ' LEU . 22.9 t80 -129.53 115.99 18.26 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 120.472 -0.491 . . . . 0.27 110.963 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -82.23 107.52 14.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.499 -0.926 . . . . 0.58 108.499 171.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' A' ' 526' ' ' PHE . 84.3 mt -65.03 -10.4 29.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.216 0.821 . . . . 1.09 113.216 -171.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . 0.421 ' HG3' HD12 ' A' ' 498' ' ' ILE . 39.2 mt-10 -109.71 -34.73 6.39 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.767 -0.373 . . . . 2.18 111.747 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 530' ' ' ARG . 1.8 mmp_? -96.46 -40.76 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.51 0.559 . . . . 4.71 112.51 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.53 153.75 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.503 0.668 . . . . 0.61 111.7 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 69.4 t -127.64 137.7 31.28 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 114.959 -1.018 . . . . 1.1 108.738 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -50.1 -48.41 19.87 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.483 2.122 . . . . 0.29 112.219 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.06 -33.05 73.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 2.34 111.681 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 12.6 t70 -69.38 -43.33 73.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.07 0.462 . . . . 1.09 110.019 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 99.6 t -64.17 -39.95 87.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.681 -0.69 . . . . 1.08 110.451 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.606 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.04 -27.22 68.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.375 . . . . 1.01 110.614 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.548 ' HG2' ' NE2' ' A' ' 551' ' ' HIS . 0.0 OUTLIER -68.01 -45.57 73.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 110.057 -0.349 . . . . 1.08 110.057 173.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -55.68 -45.37 77.79 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.865 -0.607 . . . . 2.07 109.524 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.508 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 55.5 mtt -54.68 -44.17 73.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.972 -1.013 . . . . 1.05 111.487 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.641 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.0 t -69.59 -44.01 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.322 -0.399 . . . . 1.08 110.985 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.42 -40.79 73.64 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.673 0.249 . . . . 0.77 111.673 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 39.0 m -74.7 -11.67 60.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.739 0.304 . . . . 1.71 111.465 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 94.97 29.18 9.27 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.581 -0.818 . . . . 0.54 113.62 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.57 -43.51 6.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.259 0.552 . . . . 1.08 110.379 176.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.641 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 92.3 t -120.42 147.97 23.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.56 -0.746 . . . . 1.05 111.064 -173.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.404 ' O ' HG13 ' A' ' 546' ' ' VAL . 38.1 t -83.03 144.0 30.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.531 -0.759 . . . . 1.24 109.15 174.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.46 -23.69 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.698 -0.683 . . . . 2.72 111.929 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.86 -20.7 77.68 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.851 -0.69 . . . . 0.32 112.096 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -100.53 7.46 44.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.884 0.373 . . . . 1.23 110.451 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . 0.548 ' NE2' ' HG2' ' A' ' 538' ' ' GLN . 45.3 t-80 -53.32 -47.44 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.3 110.637 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -64.81 -41.06 96.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.675 . . . . 3.4 110.429 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' THR . . . . . 0.458 HG22 ' HA ' ' A' ' 483' ' ' THR . 25.1 m -61.96 -49.04 77.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.01 -0.996 . . . . 1.07 111.485 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.575 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.8 mmt -66.91 -44.79 79.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.923 -0.58 . . . . 1.01 111.164 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -59.54 -34.8 73.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.501 . . . . 1.04 110.712 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -68.84 -35.79 77.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.868 -0.605 . . . . 2.3 110.102 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.515 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -65.31 -43.06 92.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.203 0.525 . . . . 1.0 109.936 174.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.575 HG13 ' O ' ' A' ' 554' ' ' MET . 62.3 mt -64.13 -50.57 76.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.071 -0.968 . . . . 1.05 110.617 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -64.37 -33.5 76.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.02 -0.536 . . . . 2.69 110.851 -176.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . 0.449 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 18.2 t70 -55.96 -42.79 76.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.042 0.449 . . . . 1.03 110.272 178.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -76.25 -49.07 18.06 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.742 -0.663 . . . . 2.1 111.087 178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 558' ' ' ILE . 60.2 t -60.67 -35.79 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.714 -0.221 . . . . 1.05 111.445 -175.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 20.6 t -61.12 -43.67 98.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.993 -0.373 . . . . 1.44 109.993 176.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 83.9 mt -66.17 -45.02 82.37 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.893 -0.594 . . . . 2.3 110.42 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.403 HD13 ' CD1' ' A' ' 500' ' ' ILE . 89.0 mt -53.22 -57.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.452 -0.795 . . . . 1.1 111.376 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 98.3 mttt -60.66 -38.43 84.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.951 -0.568 . . . . 1.39 110.669 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -62.86 -44.97 94.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 3.48 110.909 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -64.47 -29.99 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.364 . . . . 3.89 110.763 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -75.62 -20.89 58.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.907 -0.588 . . . . 3.62 111.301 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 9.1 mm-40 -79.41 52.18 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.18 0.514 . . . . 2.16 111.063 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -137.69 131.7 31.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.476 -0.784 . . . . 5.94 109.247 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.574 -0.727 . . . . 8.81 109.986 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.769 -0.532 . . . . 9.82 111.769 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' ALA . . . . . 0.451 ' O ' ' HB3' ' A' ' 477' ' ' MET . . . -140.06 7.12 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.679 0.239 . . . . 7.34 111.179 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' MET . . . . . 0.451 ' HB3' ' O ' ' A' ' 476' ' ' ALA . 13.8 tpt 71.65 -42.64 0.54 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.22 0.608 . . . . 11.23 110.871 -174.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 2.9 p30 -74.78 134.64 75.18 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 121.066 0.46 . . . . 7.18 109.787 172.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 41.0 Cg_exo -60.1 -32.3 94.5 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.969 2.446 . . . . 7.93 111.808 175.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' A' ' 481' ' ' GLU . 52.8 tt0 -174.39 85.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.283 -0.872 . . . . 8.01 109.881 176.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' GLU . . . . . 0.425 ' HB3' ' O ' ' A' ' 480' ' ' GLN . 39.0 tt0 77.31 129.45 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 124.026 0.829 . . . . 6.03 111.549 178.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.63 87.32 0.33 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.609 -0.723 . . . . 5.92 110.327 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' THR . . . . . 0.418 ' C ' ' H ' ' A' ' 485' ' ' VAL . 4.9 m -86.77 148.85 25.23 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.561 -0.903 . . . . 1.91 108.561 176.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -74.31 34.73 0.95 Allowed Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.132 -0.556 . . . . 1.18 113.773 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 557' ' ' ALA . 0.8 OUTLIER -150.38 155.87 7.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 123.089 0.555 . . . . 1.14 110.273 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' ARG . . . . . 0.469 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 16.4 tpp180 -163.37 134.07 4.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.961 -0.563 . . . . 3.43 110.315 177.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 47.8 t -107.46 132.3 55.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.538 -0.756 . . . . 1.05 111.173 -176.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -114.41 160.21 19.41 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.378 -0.828 . . . . 2.01 110.602 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' LEU . . . . . 0.416 HD22 HD22 ' A' ' 502' ' ' LEU . 58.2 mt -91.56 133.84 35.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.685 -0.689 . . . . 1.12 110.022 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' ALA . . . . . 0.434 ' HB3' ' CD1' ' A' ' 503' ' ' TRP . . . -83.28 -2.96 56.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.404 0.621 . . . . 1.04 110.544 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -156.47 169.55 24.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.455 -0.793 . . . . 2.02 109.984 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.78 117.18 15.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.203 -0.453 . . . . 2.36 110.178 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -82.9 95.58 8.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.097 0.475 . . . . 1.37 111.349 -177.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -169.33 134.01 1.45 Allowed 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.078 -1.082 . . . . 3.38 108.078 173.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 127.75 12.51 2.98 Favored Glycine 0 C--N 1.312 -0.798 0 C-N-CA 120.802 -0.713 . . . . 2.45 112.042 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 61.57 41.81 11.94 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.997 0.903 . . . . 3.35 109.853 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -70.56 113.97 8.2 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.176 -1.375 . . . . 2.25 109.862 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 31.6 mm -73.14 -33.92 43.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.656 0.741 . . . . 1.29 109.624 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -122.21 123.55 41.76 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.734 -1.121 . . . . 1.16 110.127 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.2 pt -117.99 176.7 2.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.726 -0.67 . . . . 1.11 111.014 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -122.69 115.61 22.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.681 -0.69 . . . . 2.28 109.478 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' LEU . . . . . 0.489 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 44.2 mt -113.85 160.33 18.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.814 -0.63 . . . . 1.3 110.833 -175.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' TRP . . . . . 0.657 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 41.3 m95 -124.56 124.69 42.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.852 -0.425 . . . . 0.39 109.852 168.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 554' ' ' MET . 28.8 tp -85.77 109.83 18.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.372 -0.377 . . . . 1.13 110.429 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -102.2 137.16 40.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.948 0.404 . . . . 3.84 110.392 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' ILE . . . . . . . . . . . . . 28.4 mm -88.76 121.56 39.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.877 -0.601 . . . . 1.23 109.634 176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -86.75 -28.22 23.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.85 -0.614 . . . . 1.52 111.057 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' ASP . . . . . 0.52 ' CG ' ' HZ1' ' A' ' 510' ' ' LYS . 13.2 t0 -148.75 98.14 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.005 -0.543 . . . . 0.71 109.628 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.6 pp -74.74 -24.32 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.86 0.689 . . . . 1.34 112.86 -172.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . 0.52 ' HZ1' ' CG ' ' A' ' 508' ' ' ASP . 0.8 OUTLIER -88.5 -14.24 38.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.722 -0.391 . . . . 3.57 111.77 -173.529 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -81.6 -14.48 56.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.918 0.39 . . . . 3.59 110.586 174.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' LEU . . . . . 0.544 HD21 ' OD2' ' A' ' 550' ' ' ASP . 71.3 mt -94.14 160.68 14.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.324 0.583 . . . . 1.15 111.828 -175.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 547' ' ' CYS . 69.4 mmtt -94.0 87.22 5.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.31 -0.859 . . . . 3.74 109.786 173.088 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 159.69 166.66 19.04 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.066 -0.588 . . . . 1.11 111.914 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -93.15 106.61 18.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.858 0.361 . . . . 3.9 110.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' TYR . . . . . 0.889 ' HH ' ' H ' ' A' ' 547' ' ' CYS . 52.5 m-85 -128.74 149.28 50.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.229 -0.441 . . . . 1.14 109.934 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -87.9 144.42 26.58 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.437 -0.347 . . . . 2.47 110.225 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.66 32.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.052 0.76 . . . . 2.29 113.052 -167.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 30.5 p30 179.4 25.13 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.095 -0.502 . . . . 3.24 111.792 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.38 154.52 17.22 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.139 0.495 . . . . 1.52 110.609 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -127.62 148.01 50.37 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.323 -0.853 . . . . 1.12 110.297 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' ILE . . . . . 0.531 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 82.1 mt -120.81 103.53 13.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.334 -0.848 . . . . 1.11 110.184 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' GLU . . . . . 0.657 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 12.8 tt0 -70.24 124.83 25.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.339 -0.392 . . . . 0.6 110.697 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' PHE . . . . . 0.417 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 26.5 p90 -144.47 140.1 28.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.221 -0.445 . . . . 0.27 109.821 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 49.5 m -90.47 144.43 25.8 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.764 -0.458 . . . . 1.71 109.764 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -131.38 118.22 19.96 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.31 -0.556 . . . . 0.27 111.1 -175.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -83.27 105.8 14.53 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.87 -1.159 . . . . 0.58 107.87 170.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 57.0 mt -61.26 -18.79 60.13 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.679 -0.691 . . . . 1.09 112.787 -169.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -104.89 -40.48 5.92 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.914 -0.314 . . . . 2.18 111.53 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -86.38 -49.35 7.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.172 0.434 . . . . 4.71 112.172 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -73.11 144.44 46.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.611 0.72 . . . . 0.61 111.692 -173.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 99.3 t -112.43 134.14 21.64 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 114.949 -1.023 . . . . 1.1 108.849 176.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.93 -39.02 49.56 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.09 2.527 . . . . 0.29 113.097 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.89 -34.88 66.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 2.34 110.94 177.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' ASP . . . . . 0.508 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 25.5 t70 -64.56 -44.73 89.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.638 0.733 . . . . 1.09 110.319 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 53.4 t -71.11 -36.56 63.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.075 -0.966 . . . . 1.08 111.109 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.25 -26.5 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 1.01 110.138 175.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' GLN . . . . . 0.508 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 8.3 mm100 -66.47 -47.79 71.95 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.907 -0.405 . . . . 1.08 109.907 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.63 -40.4 68.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.137 0.494 . . . . 2.07 110.027 175.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' MET . . . . . 0.415 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.4 mtt -57.19 -46.4 82.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.305 -0.861 . . . . 1.05 111.324 177.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 537' ' ' ALA . 58.7 t -69.68 -47.84 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.895 -0.593 . . . . 1.08 110.862 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 52.8 mt-10 -60.21 -35.16 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.77 111.864 -177.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.4 m -84.53 -4.8 59.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.647 0.26 . . . . 1.71 111.518 -176.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 89.15 17.63 55.38 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.63 -0.795 . . . . 0.54 113.539 176.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' TYR . . . . . 0.452 ' HB3' HD11 ' A' ' 522' ' ' ILE . 49.4 m-85 -87.52 -53.82 4.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.09 0.471 . . . . 1.08 110.102 177.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 87.2 t -106.59 146.57 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.609 -0.723 . . . . 1.05 110.418 -178.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' CYS . . . . . 0.889 ' H ' ' HH ' ' A' ' 516' ' ' TYR . 42.4 t -84.86 145.27 27.9 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.665 -0.865 . . . . 1.24 108.665 173.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -3.53 3.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.699 0.629 . . . . 2.72 112.699 -172.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -86.36 -11.73 71.53 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.626 -0.797 . . . . 0.32 112.884 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' ASP . . . . . 0.544 ' OD2' HD21 ' A' ' 512' ' ' LEU . 4.6 t70 -123.25 26.87 7.79 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.076 0.465 . . . . 1.23 111.004 -178.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -57.99 -49.96 75.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.3 111.305 -178.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -67.91 -31.72 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.095 0.474 . . . . 3.4 110.824 -176.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' THR . . . . . 0.46 ' HB ' ' CG ' ' A' ' 550' ' ' ASP . 80.5 m -66.67 -49.0 67.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.565 -0.743 . . . . 1.07 111.027 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' MET . . . . . 0.56 ' SD ' HD22 ' A' ' 504' ' ' LEU . 25.5 mmt -63.51 -42.12 98.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.859 -0.609 . . . . 1.01 110.436 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.87 -35.94 73.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.373 -0.831 . . . . 1.04 110.699 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -69.53 -39.94 77.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.103 -0.499 . . . . 2.3 110.452 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 485' ' ' VAL . . . -59.46 -47.16 86.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.303 0.573 . . . . 1.0 110.096 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' ILE . . . . . 0.417 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 81.3 mt -59.83 -53.57 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 114.976 -1.011 . . . . 1.05 110.702 176.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.0 -37.05 85.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 2.69 111.499 -177.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.58 -48.57 80.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.071 0.462 . . . . 1.03 109.939 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 561' ' ' ARG . 8.3 tpt180 -66.89 -46.48 74.78 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.576 -0.738 . . . . 2.1 110.463 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.15 -38.61 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.429 -0.35 . . . . 1.05 110.973 178.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 7.6 t -63.94 -43.54 95.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.232 -0.44 . . . . 1.44 110.269 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.56 -40.4 92.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.326 0.584 . . . . 2.3 110.359 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' ILE . . . . . 0.447 ' O ' ' HG3' ' A' ' 569' ' ' ARG . 73.0 mt -58.07 -52.55 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.224 -0.898 . . . . 1.1 111.097 176.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 96.2 mttt -69.14 -28.61 66.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.024 -0.534 . . . . 1.39 111.319 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -61.89 -43.43 98.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.384 . . . . 3.48 110.544 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -66.15 -30.31 70.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.405 0.621 . . . . 3.89 110.345 176.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 565' ' ' ILE . 93.4 mtt180 -81.94 2.65 29.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.403 -0.817 . . . . 3.62 111.964 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 23.5 mm-40 -88.17 10.73 18.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.75 0.785 . . . . 2.16 109.114 172.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -135.8 54.03 1.93 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.475 -1.239 . . . . 5.94 108.787 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 569' ' ' ARG . 74.8 mtt180 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.551 -0.749 . . . . 8.81 110.139 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.483 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.24 0 N-CA-C 112.834 -0.106 . . . . 0.57999999999999996 112.834 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.536 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.5 OUTLIER -150.57 154.08 9.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 122.832 0.453 . . . . 0.35999999999999999 110.26 178.464 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -159.01 135.19 9.03 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.542 -0.754 . . . . 2.96 109.804 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 63.6 t -112.31 131.02 64.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.3 0.571 . . . . 0.23000000000000001 111.004 -177.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.439 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 79.2 mm-40 -122.18 163.33 19.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.121 -0.945 . . . . 2.0099999999999998 110.059 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.581 HD23 HD23 ' A' ' 502' ' ' LEU . 81.1 mt -83.51 140.56 32.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.734 -0.666 . . . . 0.37 110.158 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -75.57 -17.96 59.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.715 0.769 . . . . 0.42999999999999999 109.923 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -163.95 1.43 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.603 -1.181 . . . . 2.02 108.976 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -115.22 92.84 4.06 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.652 -0.419 . . . . 2.3599999999999999 110.805 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 493' ' ' ASP . . . . . 0.5 ' H ' HD13 ' A' ' 489' ' ' LEU . 24.4 t70 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.763 -0.653 . . . . 1.3700000000000001 111.31 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 31.4 mm . . . . . 0 N--CA 1.449 -0.523 0 CA-C-O 121.374 0.607 . . . . 0.68000000000000005 109.769 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -115.47 123.86 49.65 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.646 -0.706 . . . . 0.45000000000000001 110.725 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.0 pt -117.56 -177.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.41 -0.813 . . . . 0.31 110.383 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 24.3 ttmm -130.84 117.66 19.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.026 0.441 . . . . 1.8100000000000001 110.102 176.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.581 HD23 HD23 ' A' ' 489' ' ' LEU . 40.3 mt -113.08 156.46 23.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.641 -0.709 . . . . 0.59999999999999998 110.769 -175.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.627 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.0 m95 -119.92 119.3 33.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.851 -0.426 . . . . 0.34000000000000002 109.851 169.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.514 HD21 ' SD ' ' A' ' 554' ' ' MET . 45.5 tp -76.18 100.18 4.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.005 -0.543 . . . . 0.28999999999999998 109.753 175.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -88.36 125.67 34.82 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.705 -0.68 . . . . 3.3300000000000001 110.341 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.644 HG21 HG22 ' A' ' 509' ' ' ILE . 26.2 mm -86.12 113.47 24.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.329 -0.396 . . . . 0.51000000000000001 110.01 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.483 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.8 mt-10 -79.05 -46.09 18.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.134 -0.485 . . . . 1.52 111.79 -176.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -144.31 105.97 4.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.936 0.398 . . . . 0.70999999999999996 110.224 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.644 HG22 HG21 ' A' ' 506' ' ' ILE . 2.4 pp -75.19 -11.41 14.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.067 -0.515 . . . . 0.70999999999999996 112.006 -176.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -79.58 -20.11 47.74 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.251 0.548 . . . . 3.1499999999999999 110.293 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 511' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 511' ' ' LYS . 13.5 mmmm -78.91 -14.16 59.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.741 -0.663 . . . . 3.1899999999999999 110.459 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 33.4 mt -99.52 173.18 6.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.514 -0.766 . . . . 0.57999999999999996 110.509 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -131.58 64.48 1.59 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.272 0.558 . . . . 3.2999999999999998 110.488 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -169.25 -154.79 9.34 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.675 -0.774 . . . . 0.95999999999999996 112.133 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 515' ' ' LYS . 3.8 mppt? -102.77 102.52 12.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.938 -0.393 . . . . 3.5299999999999998 109.938 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -132.6 176.39 8.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.019 -0.537 . . . . 0.72999999999999998 110.0 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -135.98 139.12 42.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.747 -0.464 . . . . 1.98 109.747 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.28 37.02 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.925 0.869 . . . . 2.29 110.582 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -163.95 36.01 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.101 -0.954 . . . . 2.5600000000000001 110.04 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -128.15 151.73 48.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.754 -0.657 . . . . 1.52 110.938 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -146.31 130.08 17.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.475 -0.784 . . . . 0.42999999999999999 109.518 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.648 HD13 ' HB3' ' A' ' 545' ' ' TYR . 78.1 mt -101.78 105.63 18.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.548 -0.751 . . . . 0.39000000000000001 110.987 -175.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.627 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 13.1 tt0 -71.4 130.01 40.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.953 -0.567 . . . . 0.59999999999999998 110.489 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -148.12 140.19 24.09 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.672 -0.492 . . . . 0.23999999999999999 109.672 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 36.1 m -87.52 140.91 29.05 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.684 -0.487 . . . . 1.24 109.684 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -127.85 114.7 17.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 120.617 -0.433 . . . . 0.27000000000000002 110.692 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -81.8 112.16 18.69 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.495 -0.928 . . . . 0.57999999999999996 108.495 171.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.84 -13.77 60.18 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.503 0.557 . . . . 0.51000000000000001 112.503 -172.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -108.45 -42.68 4.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.68 0.276 . . . . 2.1800000000000002 111.209 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -90.66 -38.74 12.9 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.569 0.581 . . . . 4.0999999999999996 112.569 -173.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.74 147.06 27.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.2 0.524 . . . . 0.60999999999999999 111.365 -176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 75.1 t -119.65 133.79 23.85 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.506 -0.77 . . . . 0.28000000000000003 110.36 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.09 -51.22 11.66 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.511 2.141 . . . . 0.23999999999999999 112.839 -175.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -69.7 -25.26 63.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 2.3399999999999999 111.694 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 14.8 t70 -67.19 -48.58 67.48 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.268 -0.641 . . . . 1.0900000000000001 109.268 175.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.57 -39.75 82.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.142 -0.935 . . . . 0.28000000000000003 111.084 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.11 -26.57 66.76 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.921 -0.312 . . . . 0.17000000000000001 111.309 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -68.33 -43.38 77.67 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.586 -0.524 . . . . 1.0800000000000001 109.586 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 3.2 mm-40 -58.77 -42.81 89.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.458 -0.792 . . . . 2.0699999999999998 109.026 176.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.455 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.0 mtt -54.89 -43.44 73.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.232 -0.894 . . . . 0.25 111.173 177.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 63.5 t -66.68 -50.21 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.987 -0.551 . . . . 0.23999999999999999 110.95 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.2 -38.33 81.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.265 -0.425 . . . . 0.77000000000000002 111.809 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.7 m -76.19 -1.82 28.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.666 0.269 . . . . 1.22 111.719 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 84.73 30.19 27.31 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.735 -0.745 . . . . 0.54000000000000004 113.555 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.648 ' HB3' HD13 ' A' ' 522' ' ' ILE . 72.6 m-85 -103.54 -42.89 5.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.072 0.463 . . . . 0.56000000000000005 110.546 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 86.8 t -121.96 151.91 25.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.715 -0.675 . . . . 0.17000000000000001 110.41 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 43.0 t -87.88 140.33 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.954 -0.758 . . . . 0.42999999999999999 108.954 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' GLU . . . . . 0.484 ' HB2' HG11 ' A' ' 541' ' ' VAL . 10.2 tp10 -59.38 -21.17 59.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.911 -0.586 . . . . 2.7200000000000002 111.281 -175.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -70.85 -18.14 75.84 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.96 -0.638 . . . . 0.32000000000000001 112.682 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 554' ' ' MET . 51.3 m-20 -112.65 16.15 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.846 0.323 . . . . 1.23 111.158 -178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -53.96 -51.15 64.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.26 -0.427 . . . . 0.23999999999999999 111.523 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -63.62 -40.95 98.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.528 -0.305 . . . . 2.8999999999999999 110.244 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 44.9 m -58.03 -48.37 80.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.723 -0.672 . . . . 0.34999999999999998 111.106 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.591 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.3 mmt -67.28 -47.15 71.5 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.017 -0.538 . . . . 0.14000000000000001 110.881 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.61 78.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.17000000000000001 110.903 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -66.6 -36.51 82.79 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.945 -0.57 . . . . 1.8300000000000001 110.135 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.536 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -62.64 -46.42 88.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.209 0.528 . . . . 0.17999999999999999 109.987 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 554' ' ' MET . 54.6 mt -61.43 -51.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.114 -0.948 . . . . 0.17999999999999999 110.362 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -65.15 -35.43 81.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.647 -0.706 . . . . 2.2000000000000002 110.593 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.72 -43.6 94.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 1.03 110.567 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.4 tpt180 -72.03 -48.98 40.58 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.209 -0.451 . . . . 1.5700000000000001 110.684 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 558' ' ' ILE . 95.2 t -57.71 -34.23 47.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.226 -0.443 . . . . 0.23999999999999999 110.59 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 14.5 t -61.87 -49.94 74.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.005 -0.543 . . . . 0.83999999999999997 110.685 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -70.26 -36.35 74.39 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 120.879 0.371 . . . . 1.7 110.351 -177.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.11 -55.32 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.57999999999999996 111.023 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.847 -0.615 . . . . 0.88 110.845 179.15 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.419 ' C ' ' HB3' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.518 0.258 0 N-CA-C 113.426 0.13 . . . . 0.57999999999999996 113.426 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -153.91 170.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 122.653 0.381 . . . . 0.35999999999999999 110.789 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -161.65 134.8 6.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.978 -0.556 . . . . 2.96 110.032 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 85.2 t -104.72 133.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.042 0.449 . . . . 0.23000000000000001 110.572 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.636 ' HG3' ' NH2' ' A' ' 505' ' ' ARG . 67.9 mm-40 -122.19 160.97 24.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.452 -0.794 . . . . 2.0099999999999998 110.174 -177.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.537 HD23 HD23 ' A' ' 502' ' ' LEU . 57.0 mt -80.65 145.03 31.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.141 -0.481 . . . . 0.37 109.894 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -79.69 -30.46 41.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.701 0.762 . . . . 0.42999999999999999 109.222 173.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.72 -164.72 1.39 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.754 -1.112 . . . . 2.02 110.066 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -94.01 136.23 34.52 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 116.023 -0.535 . . . . 2.3599999999999999 109.631 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 37.6 t70 . . . . . 0 C--N 1.321 -0.672 0 N-CA-C 112.378 0.51 . . . . 1.3700000000000001 112.378 -177.876 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 28.0 mm . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.09 0.471 . . . . 0.68000000000000005 110.732 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -120.56 122.9 41.58 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.354 0.597 . . . . 0.45000000000000001 111.059 -176.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 14.0 pt -120.99 -177.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.122 -0.945 . . . . 0.31 110.498 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 36.2 ttpt -127.5 120.08 27.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.155 0.502 . . . . 1.8100000000000001 110.195 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.537 HD23 HD23 ' A' ' 489' ' ' LEU . 45.9 mt -112.77 157.38 21.4 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.516 -0.766 . . . . 0.59999999999999998 110.958 -175.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.67 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.5 m95 -119.61 116.56 26.27 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 0.34000000000000002 109.734 169.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.483 ' HB3' ' HB ' ' A' ' 522' ' ' ILE . 51.6 tp -75.23 95.37 3.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.443 -0.577 . . . . 0.28999999999999998 109.443 174.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.636 ' NH2' ' HG3' ' A' ' 488' ' ' GLU . 6.5 ttm180 -87.38 120.15 28.38 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.893 -0.594 . . . . 3.3300000000000001 110.019 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.601 ' HA ' HG12 ' A' ' 485' ' ' VAL . 30.5 mm -77.1 109.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.81 -0.632 . . . . 0.51000000000000001 110.026 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.531 ' H ' ' HA ' ' A' ' 485' ' ' VAL . 6.7 tp10 -75.6 -55.33 5.77 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.194 -0.912 . . . . 1.52 110.6 -175.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.45 106.61 8.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.007 0.432 . . . . 0.70999999999999996 110.823 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.482 HG22 HG21 ' A' ' 506' ' ' ILE . 2.4 pp -75.26 -15.15 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.594 0.591 . . . . 0.70999999999999996 112.594 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.28 -11.55 56.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.269 0.557 . . . . 3.1499999999999999 110.345 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -81.32 -18.62 45.11 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 121.861 0.838 . . . . 3.1899999999999999 109.03 174.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 15.0 mt -102.98 173.44 6.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.036 -0.984 . . . . 0.57999999999999996 110.444 -175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -138.39 75.25 1.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.236 0.541 . . . . 3.2999999999999998 109.958 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -168.24 -154.04 8.55 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.6 -0.727 . . . . 0.95999999999999996 111.734 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -100.35 94.36 6.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.755 0.312 . . . . 3.5299999999999998 110.465 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -133.37 174.28 10.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.444 . . . . 0.72999999999999998 109.959 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 519' ' ' ASN . 57.0 mtmt -140.64 156.26 46.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.244 -0.28 . . . . 1.98 110.244 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -79.73 36.58 0.33 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 122.226 1.012 . . . . 2.29 110.66 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 517' ' ' LYS . 23.4 t-20 -171.18 46.42 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.519 -1.219 . . . . 2.5600000000000001 107.76 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -120.03 122.72 41.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.029 -0.987 . . . . 1.52 110.204 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -134.1 123.76 24.99 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 115.911 -0.586 . . . . 0.42999999999999999 109.764 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.547 HD13 ' HB3' ' A' ' 545' ' ' TYR . 73.7 mt -101.63 104.17 15.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 115.373 -0.83 . . . . 0.39000000000000001 110.642 -176.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.67 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.2 tt0 -71.93 128.91 37.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.719 -0.673 . . . . 0.59999999999999998 110.201 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -151.79 140.81 21.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.274 -0.421 . . . . 0.23999999999999999 109.949 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 53.7 m -85.33 144.12 28.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.09 -0.337 . . . . 1.24 110.09 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -131.43 122.39 26.18 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.401 -0.519 . . . . 0.27000000000000002 110.806 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.09 113.12 24.24 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.709 -0.848 . . . . 0.57999999999999996 108.709 172.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.97 -4.6 13.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.608 0.596 . . . . 0.51000000000000001 112.608 -172.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -111.05 -49.92 2.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.011 0.434 . . . . 2.1800000000000002 110.59 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -82.42 -44.66 15.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.794 -0.639 . . . . 4.0999999999999996 112.485 -173.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.1 142.94 43.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.304 0.573 . . . . 0.60999999999999999 111.833 -173.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 536' ' ' VAL . 97.8 t -118.11 125.12 28.15 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.949 . . . . 0.28000000000000003 108.961 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.71 -38.12 84.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 123.424 2.75 . . . . 0.23999999999999999 114.015 -173.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.83 -40.99 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.644 -0.422 . . . . 2.3399999999999999 110.695 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 18.6 t70 -59.53 -42.01 91.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.235 0.54 . . . . 1.0900000000000001 110.242 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 532' ' ' VAL . 41.9 t -66.64 -41.37 88.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.203 -0.908 . . . . 0.28000000000000003 110.996 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.39 -25.76 67.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.378 -0.374 . . . . 0.17000000000000001 110.547 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.7 mm100 -66.17 -42.75 88.51 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.984 -0.376 . . . . 1.0800000000000001 109.984 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -59.11 -41.87 89.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.16 -0.682 . . . . 2.0699999999999998 109.16 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.425 ' HB3' HG23 ' A' ' 546' ' ' VAL . 59.6 mtt -57.7 -43.42 85.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.918 -1.037 . . . . 0.25 110.968 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 537' ' ' ALA . 67.2 t -67.41 -50.75 59.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.558 . . . . 0.23999999999999999 110.724 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -60.03 -42.79 95.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 0.77000000000000002 111.565 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.4 t -71.96 -12.74 61.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.439 -0.346 . . . . 1.22 111.229 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.12 8.44 56.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.54000000000000004 113.489 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.547 ' HB3' HD13 ' A' ' 522' ' ' ILE . 69.8 m-85 -81.41 -48.32 12.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.284 0.564 . . . . 0.56000000000000005 110.526 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 68.9 t -112.23 147.05 16.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.666 -0.697 . . . . 0.17000000000000001 110.604 -176.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 50.3 t -84.34 138.41 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.002 -0.74 . . . . 0.42999999999999999 109.002 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' GLU . . . . . 0.417 ' HB2' HG11 ' A' ' 541' ' ' VAL . 9.3 tp10 -58.82 -24.66 62.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.905 -0.589 . . . . 2.7200000000000002 111.308 -174.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -69.22 -24.02 76.09 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.949 -0.643 . . . . 0.32000000000000001 112.58 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -106.59 17.64 23.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 1.23 110.609 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -55.13 -53.97 49.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.23999999999999999 111.765 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -70.26 -28.36 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.081 -0.248 . . . . 2.8999999999999999 110.651 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 59.9 m -63.17 -45.21 92.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.097 0.475 . . . . 0.34999999999999998 110.383 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.526 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.3 mmt -71.04 -43.03 68.7 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.14000000000000001 110.819 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.57 73.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.788 -0.642 . . . . 0.17000000000000001 110.761 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.49 -39.42 85.2 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.156 -0.475 . . . . 1.8300000000000001 109.964 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.5 -46.01 91.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.237 0.542 . . . . 0.17999999999999999 109.996 175.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 554' ' ' MET . 60.6 mt -61.91 -51.61 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.193 -0.912 . . . . 0.17999999999999999 110.418 178.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -65.92 -33.24 75.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.855 -0.612 . . . . 2.2000000000000002 110.824 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.5 -47.75 84.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.005 0.431 . . . . 1.03 110.034 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.673 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.2 tpt180 -67.22 -48.84 66.64 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.95 -0.568 . . . . 1.5700000000000001 110.594 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 558' ' ' ILE . 99.4 t -59.21 -33.46 50.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.274 -0.421 . . . . 0.23999999999999999 110.693 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 17.2 t -64.41 -49.1 72.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.206 -0.452 . . . . 0.83999999999999997 110.63 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -69.21 -36.4 77.21 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.877 0.37 . . . . 1.7 110.35 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 61.8 mt -55.69 -53.96 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.459 -0.791 . . . . 0.57999999999999996 110.805 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 62.7 mttm . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.734 -0.666 . . . . 0.88 110.986 179.165 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.481 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.517 0.209 0 N-CA-C 112.21 -0.356 . . . . 0.57999999999999996 112.21 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.53 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -155.14 158.81 3.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 123.931 0.892 . . . . 0.35999999999999999 108.977 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -160.63 133.34 6.34 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.133 0.492 . . . . 2.96 110.397 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.455 HG12 HD22 ' A' ' 502' ' ' LEU . 42.9 t -108.99 130.07 62.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.969 -0.56 . . . . 0.23000000000000001 110.97 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -125.6 157.66 36.6 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.964 -1.016 . . . . 2.0099999999999998 109.845 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.626 HD23 HD23 ' A' ' 502' ' ' LEU . 77.7 mt -79.12 133.78 36.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.874 -0.603 . . . . 0.37 110.149 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -70.42 -28.42 65.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.871 0.843 . . . . 0.42999999999999999 108.842 171.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -114.9 -157.01 0.62 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.165 -1.379 . . . . 2.02 109.113 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -117.23 157.49 25.94 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.198 -1.038 . . . . 2.3599999999999999 108.198 167.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--N 1.318 -0.772 0 C-N-CA 120.358 -0.537 . . . . 1.3700000000000001 112.154 -174.519 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 498' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 529' ' ' GLU . 6.2 mm . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 121.374 0.607 . . . . 0.68000000000000005 109.563 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -102.34 127.01 49.53 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.529 -0.759 . . . . 0.45000000000000001 110.458 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.443 ' CD1' HD13 ' A' ' 565' ' ' ILE . 15.9 pt -119.88 173.17 6.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.845 -0.616 . . . . 0.31 110.756 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 490' ' ' ALA . 16.4 tptm -115.66 113.44 23.53 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.824 -0.435 . . . . 1.8100000000000001 109.824 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.626 HD23 HD23 ' A' ' 489' ' ' LEU . 40.2 mt -114.08 156.72 23.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.59999999999999998 111.043 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.745 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 34.6 m95 -122.51 123.15 40.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.976 -0.379 . . . . 0.34000000000000002 109.976 169.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 55.2 tp -81.13 95.48 6.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.921 -0.582 . . . . 0.28999999999999998 110.237 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.422 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 96.3 mtt180 -80.24 120.16 23.96 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.058 -0.519 . . . . 3.3300000000000001 110.005 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.455 HG21 HG22 ' A' ' 509' ' ' ILE . 27.9 mm -82.6 107.6 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.69 -0.485 . . . . 0.51000000000000001 109.69 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.481 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 7.4 mm-40 -80.33 -48.28 13.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.963 -0.562 . . . . 1.52 111.77 -173.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -131.36 100.36 5.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.135 0.493 . . . . 0.70999999999999996 110.506 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.455 HG22 HG21 ' A' ' 506' ' ' ILE . 2.4 pp -76.05 -16.97 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.678 -0.692 . . . . 0.70999999999999996 112.377 -176.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -74.39 -32.11 62.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.07 0.462 . . . . 3.1499999999999999 110.338 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -68.99 -16.58 63.76 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.586 -0.734 . . . . 3.1899999999999999 111.034 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.13 171.29 7.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.769 -0.65 . . . . 0.57999999999999996 110.006 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -134.94 72.15 1.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.595 0.712 . . . . 3.2999999999999998 110.09 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -156.82 -135.84 2.01 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.493 -0.776 . . . . 0.95999999999999996 111.891 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -126.57 93.73 3.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.318 0.58 . . . . 3.5299999999999998 109.989 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -137.5 157.16 47.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.33 -0.85 . . . . 0.72999999999999998 109.632 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 27.9 mtpp -112.06 151.23 29.62 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.411 -0.218 . . . . 1.98 110.411 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.32 36.27 0.36 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.268 0.556 . . . . 2.29 112.282 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -177.42 40.09 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.16 -1.052 . . . . 2.5600000000000001 108.16 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 520' ' ' GLU . . . . . 0.413 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 29.1 tt0 -115.31 138.61 50.78 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.877 -1.056 . . . . 1.52 110.438 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -133.03 135.45 45.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.294 0.568 . . . . 0.42999999999999999 110.713 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.693 HD13 ' HB3' ' A' ' 545' ' ' TYR . 81.2 mt -103.57 106.77 20.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.103 -0.953 . . . . 0.39000000000000001 110.755 -177.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.745 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 24.6 tt0 -71.39 130.08 40.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.988 -0.551 . . . . 0.59999999999999998 110.984 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -149.42 144.29 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 0.23999999999999999 109.831 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 47.2 t -83.27 144.53 29.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.931 -0.766 . . . . 1.24 108.931 174.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 526' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 36.5 t80 -129.36 113.78 15.38 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.261 -0.575 . . . . 0.27000000000000002 110.288 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 527' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.1 t70 -79.86 99.91 7.76 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.115 -1.069 . . . . 0.57999999999999996 108.115 172.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.409 HD22 HG13 ' A' ' 562' ' ' VAL . 86.7 mt -54.96 -27.59 44.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.043 -0.526 . . . . 0.51000000000000001 112.16 -172.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 529' ' ' GLU . . . . . 0.439 ' HB2' HD12 ' A' ' 498' ' ' ILE . 9.4 tp10 -93.03 -45.74 7.78 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 116.225 -0.443 . . . . 2.1800000000000002 111.814 -176.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.74 -44.52 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.49 0.552 . . . . 4.0999999999999996 112.49 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -76.4 158.66 31.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.63 0.729 . . . . 0.60999999999999999 112.579 -170.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 96.5 t -127.81 131.9 24.05 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 114.628 -1.169 . . . . 0.28000000000000003 109.246 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.417 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 50.7 Cg_exo -57.47 -38.99 92.41 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.482 2.788 . . . . 0.23999999999999999 112.782 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -68.31 -30.6 69.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.357 -0.383 . . . . 2.3399999999999999 110.732 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 12.9 t70 -73.82 -45.14 53.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.191 0.52 . . . . 1.0900000000000001 110.138 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 80.4 t -61.96 -38.7 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.532 -0.758 . . . . 0.28000000000000003 110.888 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.62 -21.7 65.38 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.976 -0.289 . . . . 0.17000000000000001 110.79 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.7 mm-40 -74.41 -41.15 61.39 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.845 -0.428 . . . . 1.0800000000000001 109.845 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.87 -41.94 88.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.515 -0.766 . . . . 2.0699999999999998 109.231 173.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 58.1 mtt -56.25 -40.62 74.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.156 -0.929 . . . . 0.25 111.299 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.656 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 58.2 t -67.93 -48.08 76.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.23999999999999999 110.722 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.38 -33.97 75.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.115 -0.493 . . . . 0.77000000000000002 111.241 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 22.9 t -76.97 -13.23 59.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.074 -0.512 . . . . 1.22 111.043 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 89.07 27.77 22.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.54000000000000004 112.984 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.693 ' HB3' HD13 ' A' ' 522' ' ' ILE . 39.3 m-85 -102.79 -38.0 7.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.768 0.318 . . . . 0.56000000000000005 110.953 177.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 92.3 t -125.46 145.36 32.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.145 -0.48 . . . . 0.17000000000000001 110.674 -176.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 44.1 t -83.98 140.07 32.14 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.083 -0.71 . . . . 0.42999999999999999 109.083 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' GLU . . . . . 0.506 ' HB2' HG11 ' A' ' 541' ' ' VAL . 44.7 tt0 -61.79 -22.59 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.865 -0.607 . . . . 2.7200000000000002 111.69 -174.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -74.88 -13.2 82.65 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.817 -0.706 . . . . 0.32000000000000001 112.65 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 554' ' ' MET . 28.0 m-20 -117.2 20.13 13.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.455 0.645 . . . . 1.23 110.193 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -59.95 -43.4 95.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.098 -0.955 . . . . 0.23999999999999999 111.004 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.98 -41.37 99.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 2.8999999999999999 110.692 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 24.8 m -59.17 -46.29 88.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.901 -0.591 . . . . 0.34999999999999998 111.047 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.608 ' O ' HG13 ' A' ' 558' ' ' ILE . 21.5 mmt -70.9 -45.96 63.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.849 -0.614 . . . . 0.14000000000000001 110.956 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.5 76.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.17000000000000001 110.745 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -64.9 -43.71 91.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.007 -0.542 . . . . 1.8300000000000001 110.059 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.53 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.72 -45.91 88.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.09 0.471 . . . . 0.17999999999999999 110.267 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 554' ' ' MET . 57.6 mt -61.56 -51.83 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.267 -0.879 . . . . 0.17999999999999999 110.276 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -63.4 -37.2 86.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 2.2000000000000002 110.855 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.12 -41.69 94.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 1.03 111.113 -175.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.428 ' NH2' ' HG ' ' A' ' 489' ' ' LEU . 8.4 tpt180 -69.74 -43.98 71.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.787 -0.365 . . . . 1.5700000000000001 110.143 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 558' ' ' ILE . 79.2 t -60.7 -36.3 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.989 -0.55 . . . . 0.23999999999999999 110.508 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 23.5 t -58.65 -46.82 86.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.238 -0.437 . . . . 0.83999999999999997 110.147 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.24 -44.27 92.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.168 0.508 . . . . 1.7 110.462 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.443 HD13 ' CD1' ' A' ' 500' ' ' ILE . 87.7 mt -59.39 -48.89 85.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.267 -0.879 . . . . 0.57999999999999996 111.651 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.82 -0.627 . . . . 0.88 111.418 -179.244 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.519 0.323 0 N-CA-C 113.684 0.234 . . . . 0.57999999999999996 113.684 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.576 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -151.76 154.69 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 123.099 0.56 . . . . 0.35999999999999999 110.371 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 486' ' ' ARG . 26.4 tpt180 -155.5 154.86 32.46 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.845 -0.616 . . . . 2.96 109.358 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 59.3 t -126.83 134.69 65.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.749 0.309 . . . . 0.23000000000000001 110.472 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -130.04 159.24 37.32 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.707 -0.679 . . . . 2.0099999999999998 110.71 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.533 HD23 HD23 ' A' ' 502' ' ' LEU . 71.6 mt -80.62 134.77 35.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.37 110.662 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.51 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -83.68 -18.64 37.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.606 . . . . 0.42999999999999999 110.0 174.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.8 168.26 18.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.165 -0.925 . . . . 2.02 109.747 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -81.1 96.66 7.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.15 -0.477 . . . . 2.3599999999999999 110.343 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' ASP . . . . . 0.405 ' HB3' HD13 ' A' ' 489' ' ' LEU . 24.2 t70 . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 121.48 0.657 . . . . 1.3700000000000001 110.849 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 23.1 mm . . . . . 0 N--CA 1.448 -0.546 0 CA-C-O 121.342 0.592 . . . . 0.68000000000000005 109.461 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -126.54 123.46 37.78 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.504 -0.771 . . . . 0.45000000000000001 110.531 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.43 ' CD1' HD13 ' A' ' 565' ' ' ILE . 10.8 pt -122.28 179.92 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.536 -0.756 . . . . 0.31 110.897 -174.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 41.1 ttmt -124.75 121.14 33.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.87 -0.605 . . . . 1.8100000000000001 109.393 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.533 HD23 HD23 ' A' ' 489' ' ' LEU . 29.7 mt -117.41 162.24 18.27 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.865 -0.607 . . . . 0.59999999999999998 110.623 -176.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.611 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.3 m95 -123.15 124.58 43.38 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.562 -0.533 . . . . 0.34000000000000002 109.562 168.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.641 HD21 ' SD ' ' A' ' 554' ' ' MET . 57.2 tp -78.26 96.86 5.36 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.133 -0.691 . . . . 0.28999999999999998 109.133 173.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.516 ' HG3' ' HB2' ' A' ' 521' ' ' ALA . 6.9 ttt180 -91.4 119.15 31.16 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.391 -0.822 . . . . 3.3300000000000001 109.933 -177.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.601 HG21 HG22 ' A' ' 509' ' ' ILE . 26.4 mm -75.16 115.86 17.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 116.238 -0.437 . . . . 0.51000000000000001 109.852 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.479 ' HG3' ' C ' ' A' ' 485' ' ' VAL . 5.8 mt-10 -75.81 -39.65 56.44 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.347 -0.388 . . . . 1.52 110.833 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 510' ' ' LYS . 11.5 t70 -151.45 112.78 4.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.284 -0.416 . . . . 0.70999999999999996 110.421 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.601 HG22 HG21 ' A' ' 506' ' ' ILE . 2.5 pp -76.31 -14.74 15.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.945 -0.571 . . . . 0.70999999999999996 112.441 -176.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 510' ' ' LYS . . . . . 0.422 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 34.9 mmtp -75.41 -35.26 61.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 3.1499999999999999 110.506 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -66.8 -21.58 66.04 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.747 -0.66 . . . . 3.1899999999999999 111.619 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.424 HD11 HG23 ' A' ' 506' ' ' ILE . 45.4 mt -91.18 178.48 5.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.371 -0.377 . . . . 0.57999999999999996 110.327 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -135.71 74.44 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.399 0.619 . . . . 3.2999999999999998 110.347 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -171.91 -164.04 26.83 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.653 -0.703 . . . . 0.95999999999999996 111.416 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -97.11 89.23 4.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.094 0.473 . . . . 3.5299999999999998 110.596 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -123.91 146.11 48.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.586 -0.734 . . . . 0.72999999999999998 109.262 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' A' ' 519' ' ' ASN . 36.2 mtmm -107.04 148.2 29.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.655 0.264 . . . . 1.98 110.612 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -79.46 37.19 0.33 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.25 1.024 . . . . 2.29 110.652 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 517' ' ' LYS . 4.4 p-10 -164.13 24.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.709 -1.132 . . . . 2.5600000000000001 108.896 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.45 135.12 54.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.393 -0.821 . . . . 1.52 111.214 -171.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.516 ' HB2' ' HG3' ' A' ' 505' ' ' ARG . . . -136.45 138.63 41.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.13 -0.941 . . . . 0.42999999999999999 109.395 177.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 67.6 mt -102.69 101.87 12.78 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 115.549 -0.75 . . . . 0.39000000000000001 110.869 -175.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.611 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 24.9 tt0 -68.3 127.3 32.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.37 -0.832 . . . . 0.59999999999999998 110.375 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -149.13 141.24 23.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.365 -0.38 . . . . 0.23999999999999999 110.252 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 15.6 m -86.66 146.6 26.24 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.774 -0.454 . . . . 1.24 109.774 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -136.38 120.45 17.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.104 -0.638 . . . . 0.27000000000000002 111.079 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -88.35 116.1 26.33 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.694 -0.854 . . . . 0.57999999999999996 108.694 171.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.24 -6.71 30.89 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.134 -0.485 . . . . 0.51000000000000001 112.077 -172.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -112.65 -45.99 3.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.764 0.316 . . . . 2.1800000000000002 110.813 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 530' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 530' ' ' ARG . 53.1 mtp180 -82.38 -50.17 9.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.302 -0.408 . . . . 4.0999999999999996 111.984 -177.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.71 153.81 42.45 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.634 0.731 . . . . 0.60999999999999999 112.613 -171.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 77.5 t -126.87 127.6 24.39 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 114.53 -1.214 . . . . 0.28000000000000003 109.163 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 48.0 Cg_exo -57.51 -40.2 82.66 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.221 2.614 . . . . 0.23999999999999999 112.779 -175.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.65 -37.3 82.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.968 0.413 . . . . 2.3399999999999999 110.868 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.585 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 7.7 m-20 -70.39 -42.24 71.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.967 -0.56 . . . . 1.0900000000000001 110.761 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 532' ' ' VAL . 98.3 t -62.27 -38.49 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.28000000000000003 110.822 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.9 -20.31 65.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.401 -0.363 . . . . 0.17000000000000001 111.162 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -76.03 -39.1 56.36 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.938 -0.393 . . . . 1.0800000000000001 109.938 174.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -58.46 -41.49 85.3 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.835 -0.802 . . . . 2.0699999999999998 108.835 173.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 56.8 mtt -55.54 -43.13 75.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.594 -1.184 . . . . 0.25 111.451 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 537' ' ' ALA . 46.6 t -70.32 -43.86 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.23999999999999999 110.884 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.84 -31.34 72.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.445 -0.343 . . . . 0.77000000000000002 111.283 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.7 t -85.63 -3.12 58.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.225 -0.443 . . . . 1.22 111.083 -177.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 83.63 18.67 63.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.633 -0.794 . . . . 0.54000000000000004 113.293 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.557 ' HB3' HD13 ' A' ' 522' ' ' ILE . 54.5 m-85 -89.84 -42.53 11.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.115 0.483 . . . . 0.56000000000000005 110.44 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.553 HG11 ' HG3' ' A' ' 554' ' ' MET . 98.0 t -121.08 146.53 25.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.893 -0.594 . . . . 0.17000000000000001 110.631 -176.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 52.7 t -84.84 138.76 32.37 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.443 -0.947 . . . . 0.42999999999999999 108.443 172.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' GLU . . . . . 0.488 ' HB2' HG11 ' A' ' 541' ' ' VAL . 33.2 tt0 -58.0 -20.93 42.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.612 -0.722 . . . . 2.7200000000000002 112.165 -171.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -76.54 -20.75 76.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.897 -0.668 . . . . 0.32000000000000001 112.856 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 554' ' ' MET . 50.7 m-20 -103.48 15.98 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.181 0.515 . . . . 1.23 109.959 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -57.75 -47.0 83.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.768 . . . . 0.23999999999999999 111.476 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.45 -39.7 94.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.87 0.367 . . . . 2.8999999999999999 110.272 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 58.9 m -60.7 -46.07 91.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.881 -0.6 . . . . 0.34999999999999998 111.105 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.641 ' SD ' HD21 ' A' ' 504' ' ' LEU . 23.1 mmt -67.09 -47.34 71.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.14000000000000001 110.814 -178.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.32 75.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 0.17000000000000001 110.942 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -66.51 -41.08 89.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.015 -0.539 . . . . 1.8300000000000001 110.162 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.576 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.2 -45.12 94.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.267 0.556 . . . . 0.17999999999999999 110.242 175.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 554' ' ' MET . 57.0 mt -61.58 -52.15 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 115.21 -0.904 . . . . 0.17999999999999999 109.932 177.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -60.68 -39.95 90.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.64 -0.709 . . . . 2.2000000000000002 111.112 -176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.72 -41.25 96.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 1.03 110.445 -177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.662 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.0 tpt180 -70.82 -46.06 63.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.223 -0.444 . . . . 1.5700000000000001 110.433 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 558' ' ' ILE . 90.8 t -60.46 -32.35 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 116.257 -0.429 . . . . 0.23999999999999999 110.351 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 40.7 t -58.59 -51.36 70.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.83999999999999997 110.867 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -71.13 -34.27 70.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.168 0.509 . . . . 1.7 110.694 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.43 HD13 ' CD1' ' A' ' 500' ' ' ILE . 85.5 mt -60.62 -48.22 89.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.66 -0.7 . . . . 0.57999999999999996 110.733 172.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.88 111.101 177.479 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.444 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.517 0.212 0 N-CA-C 113.703 0.241 . . . . 0.57999999999999996 113.703 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.598 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -153.0 157.89 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 123.056 0.543 . . . . 0.35999999999999999 109.896 177.314 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -157.23 133.96 10.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.752 -0.658 . . . . 2.96 110.029 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 77.4 t -112.19 135.48 51.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.934 -0.576 . . . . 0.23000000000000001 111.107 -176.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.456 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 42.7 mt-10 -132.78 163.07 29.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.389 -0.823 . . . . 2.0099999999999998 110.535 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.58 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 77.8 mt -81.42 135.6 35.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 0.37 110.746 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -77.77 -24.49 48.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.713 0.768 . . . . 0.42999999999999999 109.277 171.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 12.6 pt-20 -138.05 155.52 48.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.674 -1.148 . . . . 2.02 108.945 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.15 126.1 30.32 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.052 -0.522 . . . . 2.3599999999999999 110.502 -175.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 116.115 -0.493 . . . . 1.3700000000000001 110.717 179.708 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.434 0.635 . . . . 0.68000000000000005 109.68 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -133.82 120.2 20.16 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.44 -0.8 . . . . 0.45000000000000001 110.67 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 12.6 pt -115.8 -178.61 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.328 -0.851 . . . . 0.31 110.648 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -127.32 118.63 24.54 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.992 -0.549 . . . . 1.8100000000000001 109.888 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 489' ' ' LEU . 30.1 mt -118.56 155.42 30.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.715 -0.675 . . . . 0.59999999999999998 110.555 -177.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.708 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 32.1 m95 -118.83 121.6 40.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.924 -0.398 . . . . 0.34000000000000002 109.924 171.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.638 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 60.3 tp -79.25 94.32 5.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.937 -0.574 . . . . 0.28999999999999998 110.167 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.535 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 87.1 mtt180 -87.49 119.08 27.42 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.501 -0.772 . . . . 3.3300000000000001 110.53 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.444 HG23 HD11 ' A' ' 512' ' ' LEU . 39.1 mm -74.3 120.55 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.736 -0.665 . . . . 0.51000000000000001 110.214 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.444 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 17.0 mm-40 -87.5 -43.86 11.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.112 -0.494 . . . . 1.52 111.535 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -149.5 107.2 3.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.968 0.413 . . . . 0.70999999999999996 110.662 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.507 HG22 ' HB2' ' A' ' 516' ' ' TYR . 29.9 pt -75.9 -10.59 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 112.862 0.69 . . . . 0.70999999999999996 112.862 -177.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -73.29 -25.02 60.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.263 0.554 . . . . 3.1499999999999999 109.796 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -76.69 -27.73 55.63 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.229 -0.896 . . . . 3.1899999999999999 109.977 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.444 HD11 HG23 ' A' ' 506' ' ' ILE . 48.3 mt -90.87 155.11 19.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.383 -0.826 . . . . 0.57999999999999996 111.099 -174.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -96.81 -34.87 11.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.49 -0.777 . . . . 3.2999999999999998 109.802 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -70.5 179.67 29.15 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.529 -0.76 . . . . 0.95999999999999996 112.602 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' LYS . . . . . 0.504 ' HD3' ' N ' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -101.03 115.45 30.52 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.225 -0.287 . . . . 3.5299999999999998 110.225 -177.495 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 516' ' ' TYR . . . . . 0.507 ' HB2' HG22 ' A' ' 509' ' ' ILE . 60.7 m-85 -139.57 162.57 34.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.019 0.437 . . . . 0.72999999999999998 110.821 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' A' ' 519' ' ' ASN . 27.1 mtpp -86.82 149.39 24.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.468 -0.787 . . . . 1.98 109.442 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.9 28.32 0.36 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.844 0.831 . . . . 2.29 110.77 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 517' ' ' LYS . 34.1 t-20 -167.49 41.08 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.348 -1.296 . . . . 2.5600000000000001 107.824 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 520' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 8.3 tp10 -91.6 148.26 22.41 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.92 -1.036 . . . . 1.52 109.607 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.638 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -148.77 113.64 5.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.548 0.689 . . . . 0.42999999999999999 110.498 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.545 HD13 ' HB3' ' A' ' 545' ' ' TYR . 98.3 mt -96.61 105.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.917 -1.038 . . . . 0.39000000000000001 110.41 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.708 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 14.3 tt0 -71.02 125.55 27.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.595 . . . . 0.59999999999999998 110.529 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 524' ' ' PHE . . . . . 0.431 ' CD2' HG11 ' A' ' 536' ' ' VAL . 39.4 p90 -142.61 148.39 37.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.269 -0.423 . . . . 0.23999999999999999 110.015 178.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 50.6 m -89.86 138.25 31.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.27 -0.641 . . . . 1.24 109.27 176.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' PHE . . . . . 0.454 ' CD2' HD23 ' A' ' 528' ' ' LEU . 32.2 t80 -122.6 110.82 16.02 Favored 'General case' 0 CA--C 1.508 -0.644 0 C-N-CA 120.34 -0.544 . . . . 0.27000000000000002 110.431 -176.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 527' ' ' ASP . . . . . 0.447 ' CG ' ' HB3' ' A' ' 530' ' ' ARG . 9.0 t70 -83.83 117.05 23.04 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.741 -0.837 . . . . 0.57999999999999996 108.741 172.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' ' 526' ' ' PHE . 68.2 mt -72.84 -8.47 55.7 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.875 -0.602 . . . . 0.51000000000000001 111.756 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -112.85 -45.31 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.219 -0.446 . . . . 2.1800000000000002 110.665 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' ARG . . . . . 0.447 ' HB3' ' CG ' ' A' ' 527' ' ' ASP . 15.2 ttt180 -82.83 -50.23 8.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 4.0999999999999996 111.858 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 531' ' ' ASP . . . . . 0.428 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 38.4 m-20 -85.34 143.06 28.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.348 0.594 . . . . 0.60999999999999999 111.468 -171.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.492 HG13 ' HD2' ' A' ' 533' ' ' PRO . 55.3 t -113.4 138.57 22.53 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.106 -0.952 . . . . 0.28000000000000003 109.328 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.57 ' HG2' ' HG2' ' A' ' 559' ' ' LYS . 50.8 Cg_exo -47.12 -50.68 10.63 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.379 2.053 . . . . 0.23999999999999999 112.713 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 538' ' ' GLN . 43.6 mt-10 -67.06 -28.25 68.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.454 -0.339 . . . . 2.3399999999999999 111.588 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 26.5 t70 -70.38 -42.63 71.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.183 0.516 . . . . 1.0900000000000001 110.082 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.431 HG11 ' CD2' ' A' ' 524' ' ' PHE . 92.9 t -62.1 -42.13 93.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.56 -0.745 . . . . 0.28000000000000003 110.356 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.56 -29.15 70.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.176 -0.466 . . . . 0.17000000000000001 110.575 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 81.0 mm-40 -64.95 -45.99 83.41 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 110.009 -0.367 . . . . 1.0800000000000001 110.009 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 539' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 5.0 mm-40 -57.37 -45.08 84.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.191 -0.67 . . . . 2.0699999999999998 109.191 175.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.464 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.7 mtt -54.95 -45.68 74.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.156 -0.929 . . . . 0.25 111.194 177.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 537' ' ' ALA . 86.0 t -64.67 -50.26 76.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.585 . . . . 0.23999999999999999 110.88 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.35 -36.99 84.29 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.921 0.341 . . . . 0.77000000000000002 111.921 -174.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 49.0 m -74.25 -12.2 60.49 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.929 0.344 . . . . 1.22 111.929 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.4 16.4 34.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.375 -0.917 . . . . 0.54000000000000004 113.366 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.5 m-85 -91.37 -53.07 4.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.058 0.456 . . . . 0.56000000000000005 110.52 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 61.8 t -107.92 152.01 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.595 -0.73 . . . . 0.17000000000000001 110.888 -174.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 45.5 t -91.24 143.3 26.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.004 -0.739 . . . . 0.42999999999999999 109.004 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -16.0 51.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 2.7200000000000002 112.313 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -82.13 -14.6 76.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.804 -0.713 . . . . 0.32000000000000001 112.661 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 554' ' ' MET . 47.9 m-20 -113.56 15.36 18.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.801 0.334 . . . . 1.23 110.66 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -55.79 -48.71 74.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.021 -0.536 . . . . 0.23999999999999999 111.373 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -64.27 -39.54 94.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 2.8999999999999999 110.636 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 83.0 m -61.12 -49.7 76.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 0.34999999999999998 111.201 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.617 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.6 mmt -64.1 -46.68 83.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.526 . . . . 0.14000000000000001 110.667 -178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.1 87.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.643 -0.708 . . . . 0.17000000000000001 111.233 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' LYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 556' ' ' LYS . 0.3 OUTLIER -64.31 -40.68 96.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.137 -0.69 . . . . 1.8300000000000001 109.137 179.259 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.598 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.41 -46.47 86.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.17999999999999999 110.114 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 554' ' ' MET . 60.2 mt -60.2 -51.35 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.144 -0.935 . . . . 0.17999999999999999 110.231 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.57 ' HG2' ' HG2' ' A' ' 533' ' ' PRO . 2.6 tmtp? -61.16 -46.72 89.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.06 -0.973 . . . . 2.2000000000000002 110.582 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.49 -40.31 65.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.134 -0.485 . . . . 1.03 111.392 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.698 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.5 tpt180 -72.7 -48.7 36.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 1.5700000000000001 110.408 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 558' ' ' ILE . 94.1 t -59.32 -35.18 56.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.091 -0.504 . . . . 0.23999999999999999 111.055 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.0 t -60.33 -47.61 85.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.001 -0.545 . . . . 0.83999999999999997 110.591 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -73.38 -36.23 66.03 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.955 0.407 . . . . 1.7 110.49 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.52 -54.38 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.689 -0.687 . . . . 0.57999999999999996 111.098 173.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' LYS . . . . . 0.445 ' HE3' HD22 ' A' ' 528' ' ' LEU . 97.9 mttt . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 0.88 111.023 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.347 0 N-CA-C 111.219 -0.753 . . . . 0.57999999999999996 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.588 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.6 OUTLIER -150.15 156.18 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 114.76 -0.72 . . . . 0.35999999999999999 109.62 -178.117 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -164.11 132.75 3.66 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.51 0.671 . . . . 2.96 110.631 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.585 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 57.9 t -104.63 138.63 28.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 115.237 -0.892 . . . . 0.23000000000000001 109.978 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.8 157.8 41.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.189 -0.46 . . . . 2.0099999999999998 110.744 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.488 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 85.9 mt -79.91 129.87 34.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.542 -0.754 . . . . 0.37 110.416 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -71.45 -21.55 61.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.212 0.53 . . . . 0.42999999999999999 110.046 176.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 9.8 pt-20 -143.79 171.01 14.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.183 -0.917 . . . . 2.02 109.524 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.1 112.15 17.13 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.312 -0.404 . . . . 2.3599999999999999 110.565 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.858 -0.61 . . . . 1.3700000000000001 111.784 -175.378 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 498' ' ' ILE . . . . . 0.412 HD12 ' CD ' ' A' ' 529' ' ' GLU . 18.5 mm . . . . . 0 CA--C 1.503 -0.839 0 N-CA-C 107.865 -1.161 . . . . 0.68000000000000005 107.865 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 499' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -105.52 119.51 39.29 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.322 -1.308 . . . . 0.45000000000000001 110.044 176.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.4 pt -110.88 -177.66 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 115.279 -0.873 . . . . 0.31 110.835 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.4 ' HE2' ' OE2' ' A' ' 523' ' ' GLU . 74.3 tttt -130.02 112.86 13.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.344 -0.613 . . . . 1.8100000000000001 109.344 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.585 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 54.3 mt -116.44 153.24 32.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.549 . . . . 0.59999999999999998 111.469 -174.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.673 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.2 m95 -119.26 118.87 32.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.473 -0.566 . . . . 0.34000000000000002 109.473 169.301 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.508 HD21 ' SD ' ' A' ' 554' ' ' MET . 39.4 tp -78.11 107.0 10.37 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.093 -0.503 . . . . 0.28999999999999998 110.073 175.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -99.88 145.14 28.13 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.004 -0.544 . . . . 3.3300000000000001 110.285 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.568 HG21 HG22 ' A' ' 509' ' ' ILE . 23.7 mm -101.72 105.88 18.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.168 -0.469 . . . . 0.51000000000000001 111.031 -177.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -67.59 -41.74 83.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.861 -0.609 . . . . 1.52 111.324 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -142.52 102.16 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.081 0.467 . . . . 0.70999999999999996 110.407 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.568 HG22 HG21 ' A' ' 506' ' ' ILE . 2.8 pp -74.06 -17.1 17.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.771 -0.649 . . . . 0.70999999999999996 112.187 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -71.42 -27.93 63.64 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.733 0.301 . . . . 3.1499999999999999 111.263 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -82.72 -4.43 57.86 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 120.784 0.326 . . . . 3.1899999999999999 111.607 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 26.6 mt -101.6 160.09 14.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.503 -0.317 . . . . 0.57999999999999996 110.464 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -120.32 67.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.067 0.46 . . . . 3.2999999999999998 110.758 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -158.75 -145.5 4.26 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.754 -0.736 . . . . 0.95999999999999996 111.939 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -117.39 83.36 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 3.5299999999999998 110.296 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -123.81 156.33 36.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 0.72999999999999998 109.865 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 519' ' ' ASN . 36.4 mtmm -122.36 157.67 31.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.646 -0.252 . . . . 1.98 110.442 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -77.87 37.22 0.23 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.974 0.893 . . . . 2.29 110.729 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 517' ' ' LYS . 6.5 p30 -166.63 33.58 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.46 -1.245 . . . . 2.5600000000000001 108.325 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.44 136.26 45.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.265 -0.879 . . . . 1.52 110.797 -171.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -144.87 138.52 27.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.477 -0.783 . . . . 0.42999999999999999 110.251 176.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.655 HD13 ' HB3' ' A' ' 545' ' ' TYR . 65.1 mt -121.73 105.24 16.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.418 -0.81 . . . . 0.39000000000000001 110.194 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.673 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 17.8 tt0 -76.41 122.8 25.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.754 -0.657 . . . . 0.59999999999999998 110.836 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -141.88 142.34 33.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.231 -0.44 . . . . 0.23999999999999999 110.218 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.2 m -88.22 129.78 35.26 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.497 -0.557 . . . . 1.24 109.497 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -120.88 115.12 22.62 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.597 -0.441 . . . . 0.27000000000000002 110.92 -173.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 9.8 t70 -81.3 113.01 19.13 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.841 -0.8 . . . . 0.57999999999999996 108.841 173.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.68 -14.08 60.52 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.26 0.467 . . . . 0.51000000000000001 112.26 -173.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 529' ' ' GLU . . . . . 0.412 ' CD ' HD12 ' A' ' 498' ' ' ILE . 72.1 mt-10 -106.37 -39.4 5.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.588 0.232 . . . . 2.1800000000000002 111.113 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.57 -51.61 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.233 0.457 . . . . 4.0999999999999996 112.233 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 6.8 m-20 -69.15 150.06 47.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.391 0.615 . . . . 0.60999999999999999 111.872 -172.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 77.7 t -128.09 129.6 23.66 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 114.974 -1.012 . . . . 0.28000000000000003 109.892 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 86.6 Cg_exo -48.67 -52.05 9.26 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.85 2.366 . . . . 0.23999999999999999 113.065 -174.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.94 -28.95 69.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 2.3399999999999999 111.576 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.52 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 23.0 t70 -68.57 -46.83 68.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.163 0.506 . . . . 1.0900000000000001 109.685 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.2 t -62.37 -40.56 88.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.457 -0.792 . . . . 0.28000000000000003 111.036 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.88 -27.02 67.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.402 -0.363 . . . . 0.17000000000000001 111.078 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -70.78 -41.93 71.05 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.954 -0.387 . . . . 1.0800000000000001 109.954 173.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 36.4 mm-40 -58.01 -41.19 82.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.71 -0.677 . . . . 2.0699999999999998 109.492 174.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 55.8 mtt -58.93 -36.8 75.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.23 -0.895 . . . . 0.25 111.797 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.661 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 59.6 t -69.82 -38.84 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.039 -0.528 . . . . 0.23999999999999999 110.318 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.4 -34.0 61.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.865 -0.607 . . . . 0.77000000000000002 111.152 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 35.6 p -74.75 -21.08 59.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.115 -0.493 . . . . 1.22 111.391 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 98.08 17.49 29.66 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.762 -0.732 . . . . 0.54000000000000004 112.449 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.655 ' HB3' HD13 ' A' ' 522' ' ' ILE . 42.5 m-85 -90.94 -44.1 9.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.087 0.47 . . . . 0.56000000000000005 110.643 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 85.1 t -120.48 147.29 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.665 -0.698 . . . . 0.17000000000000001 110.399 -175.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 40.1 t -91.12 142.19 28.02 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.85 -0.796 . . . . 0.42999999999999999 108.85 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -55.02 -25.01 27.32 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.295 0.85 . . . . 2.7200000000000002 113.295 -170.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.04 -21.19 78.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.577 -0.821 . . . . 0.32000000000000001 112.748 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 554' ' ' MET . 45.2 m-20 -102.75 15.17 30.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.867 0.365 . . . . 1.23 110.677 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -56.27 -47.3 78.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.23999999999999999 111.593 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -64.75 -40.64 95.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.377 . . . . 2.8999999999999999 110.424 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' THR . . . . . 0.424 ' O ' HG21 ' A' ' 485' ' ' VAL . 56.1 m -61.12 -47.5 85.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.617 -0.72 . . . . 0.34999999999999998 111.211 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.508 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.9 mmt -66.11 -46.99 75.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.132 0.492 . . . . 0.14000000000000001 110.86 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.45 -33.84 74.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.502 -0.772 . . . . 0.17000000000000001 111.238 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -66.2 -40.18 90.18 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.386 -0.37 . . . . 1.8300000000000001 110.186 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.588 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.89 -45.23 95.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.38 0.61 . . . . 0.17999999999999999 110.25 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.508 ' O ' HG23 ' A' ' 562' ' ' VAL . 55.6 mt -60.47 -51.46 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 114.86 -1.064 . . . . 0.17999999999999999 109.963 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.29 -40.42 93.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.765 . . . . 2.2000000000000002 111.318 -176.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.68 -42.34 98.05 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.138 0.494 . . . . 1.03 110.051 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.667 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 0.4 OUTLIER -65.47 -53.03 48.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.598 . . . . 1.5700000000000001 110.674 177.003 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 558' ' ' ILE . 92.6 t -55.65 -37.18 45.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.232 -0.44 . . . . 0.23999999999999999 110.677 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 47.6 t -55.47 -56.89 15.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.83999999999999997 110.668 176.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -66.73 -36.22 81.94 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.868 0.366 . . . . 1.7 110.785 -176.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 63.3 mt -53.77 -52.17 37.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.815 -0.629 . . . . 0.57999999999999996 110.619 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.631 -0.713 . . . . 0.88 111.492 -179.858 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.4 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 C--O 1.228 -0.224 0 CA-C-O 120.685 0.047 . . . . 0.57999999999999996 113.034 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.608 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -148.68 161.78 5.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 122.861 0.464 . . . . 0.35999999999999999 110.774 177.092 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -163.2 137.05 5.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.865 -0.607 . . . . 2.96 110.254 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 50.5 t -112.98 137.62 45.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.903 -0.59 . . . . 0.23000000000000001 111.191 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.445 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 58.3 mt-10 -134.45 160.58 37.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.291 -0.868 . . . . 2.0099999999999998 110.719 -176.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.522 HD23 HD23 ' A' ' 502' ' ' LEU . 74.4 mt -80.26 140.29 36.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.875 -0.602 . . . . 0.37 110.288 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -86.45 -0.34 55.8 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.75 0.786 . . . . 0.42999999999999999 109.313 172.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.38 179.49 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.646 -1.161 . . . . 2.02 110.086 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -102.32 76.41 1.56 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.193 -0.458 . . . . 2.3599999999999999 109.985 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.431 -0.35 . . . . 1.3700000000000001 110.806 -177.363 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 30.4 mm . . . . . 0 N--CA 1.446 -0.663 0 CA-C-O 121.046 0.45 . . . . 0.68000000000000005 110.211 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -128.78 134.02 48.25 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.101 -0.5 . . . . 0.45000000000000001 110.814 -176.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.438 ' CD1' HD13 ' A' ' 565' ' ' ILE . 11.8 pt -131.24 -177.4 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 115.552 -0.749 . . . . 0.31 110.769 -175.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 23.1 ttmm -130.75 121.33 25.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.809 -0.632 . . . . 1.8100000000000001 109.398 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.522 HD23 HD23 ' A' ' 489' ' ' LEU . 42.6 mt -116.65 157.6 25.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.144 -0.48 . . . . 0.59999999999999998 111.484 -175.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.724 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 38.7 m95 -121.2 120.07 34.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.34000000000000002 109.971 170.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.592 HD21 ' SD ' ' A' ' 554' ' ' MET . 51.1 tp -81.84 96.14 7.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.717 -0.674 . . . . 0.28999999999999998 109.802 175.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.561 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 35.5 mtm105 -85.3 135.75 33.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.085 -0.507 . . . . 3.3300000000000001 110.249 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.53 HG21 HG22 ' A' ' 509' ' ' ILE . 30.8 mm -91.41 118.03 35.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.033 -0.53 . . . . 0.51000000000000001 110.387 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.4 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.2 mm-40 -82.51 -41.99 18.98 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.074 -0.512 . . . . 1.52 111.692 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.593 ' CG ' ' HD3' ' A' ' 511' ' ' LYS . 11.5 t0 -143.63 102.0 3.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.071 0.463 . . . . 0.70999999999999996 111.078 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.53 HG22 HG21 ' A' ' 506' ' ' ILE . 2.9 pp -77.52 -6.51 9.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.267 0.84 . . . . 0.70999999999999996 113.267 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -75.46 -38.54 59.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.478 0.656 . . . . 3.1499999999999999 109.489 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 511' ' ' LYS . . . . . 0.593 ' HD3' ' CG ' ' A' ' 508' ' ' ASP . 14.1 mptt -64.82 -35.73 82.05 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.009 -0.996 . . . . 3.1899999999999999 111.402 177.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.07 144.21 30.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.884 -0.598 . . . . 0.57999999999999996 110.979 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -112.54 75.93 0.95 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.922 -0.581 . . . . 3.2999999999999998 110.119 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -167.32 -148.99 5.84 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.492 -0.643 . . . . 0.95999999999999996 111.492 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.14 101.52 10.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.041 0.448 . . . . 3.5299999999999998 110.095 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -142.21 169.28 17.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.723 -0.672 . . . . 0.72999999999999998 110.354 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' A' ' 519' ' ' ASN . 10.1 mtmp? -133.79 154.29 51.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.811 -0.631 . . . . 1.98 109.47 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -76.74 37.11 0.17 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.833 0.825 . . . . 2.29 110.629 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 517' ' ' LYS . 27.9 p30 -166.66 28.09 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.876 -1.056 . . . . 2.5600000000000001 109.084 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -97.68 139.77 33.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.306 -0.861 . . . . 1.52 110.817 -172.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.571 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -148.42 125.49 11.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.658 -0.701 . . . . 0.42999999999999999 110.486 176.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.538 HD13 ' HB3' ' A' ' 545' ' ' TYR . 95.7 mt -105.0 109.06 26.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.283 -0.871 . . . . 0.39000000000000001 110.568 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.724 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 20.2 tt0 -75.51 127.88 34.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.888 -0.597 . . . . 0.59999999999999998 110.351 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -146.74 140.97 26.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.933 -0.395 . . . . 0.23999999999999999 109.933 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 28.9 m -87.74 139.62 30.35 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.729 -0.471 . . . . 1.24 109.729 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 526' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 528' ' ' LEU . 27.6 t80 -130.14 115.66 17.35 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.236 -0.585 . . . . 0.27000000000000002 111.147 -171.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 527' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 531' ' ' ASP . 12.4 t70 -85.46 111.06 19.62 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.239 -1.023 . . . . 0.57999999999999996 108.239 171.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 526' ' ' PHE . 71.1 mt -62.99 -15.55 56.63 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.173 -0.467 . . . . 0.51000000000000001 112.184 -172.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -101.66 -43.87 5.74 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.978 -0.289 . . . . 2.1800000000000002 111.289 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -88.66 -42.48 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.39 0.515 . . . . 4.0999999999999996 112.39 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 527' ' ' ASP . 2.4 m-20 -74.67 139.29 43.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.562 0.696 . . . . 0.60999999999999999 111.906 -173.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 96.8 t -114.57 127.25 27.01 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 114.727 -1.124 . . . . 0.28000000000000003 108.259 174.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.447 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 34.2 Cg_exo -60.07 -37.24 85.67 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.878 2.386 . . . . 0.23999999999999999 112.526 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -63.53 -36.53 84.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.125 -0.489 . . . . 2.3399999999999999 110.619 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 539' ' ' GLU . 22.9 t70 -70.73 -42.14 70.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.843 -0.429 . . . . 1.0900000000000001 109.843 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.429 ' HA ' ' OE1' ' A' ' 539' ' ' GLU . 99.3 t -57.91 -48.99 82.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.28000000000000003 110.248 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.32 -18.81 64.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.17000000000000001 111.029 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.532 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 4.2 tp60 -81.65 -41.52 21.3 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.28 -0.637 . . . . 1.0800000000000001 109.28 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 539' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 535' ' ' ASP . 21.1 mt-10 -57.88 -41.17 81.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.743 -0.836 . . . . 2.0699999999999998 108.743 173.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 54.7 mtt -54.59 -42.47 71.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.409 -1.269 . . . . 0.25 111.145 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.638 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.0 t -68.99 -47.79 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.162 -0.472 . . . . 0.23999999999999999 110.794 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 542' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 44.1 mt-10 -63.7 -34.54 78.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.942 -0.572 . . . . 0.77000000000000002 111.718 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 45.6 m -89.53 7.2 37.44 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.895 0.332 . . . . 1.22 111.895 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 85.78 9.71 77.43 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.882 -0.675 . . . . 0.54000000000000004 114.079 172.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.538 ' HB3' HD13 ' A' ' 522' ' ' ILE . 86.2 m-85 -82.08 -55.59 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.263 0.554 . . . . 0.56000000000000005 110.672 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 79.4 t -111.54 149.08 14.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.514 -0.767 . . . . 0.17000000000000001 110.954 -173.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 51.8 t -85.94 141.75 29.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.007 -0.542 . . . . 0.42999999999999999 109.642 175.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' GLU . . . . . 0.405 ' HB3' HG11 ' A' ' 541' ' ' VAL . 9.9 pt-20 -61.98 -20.43 63.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.64 -0.709 . . . . 2.7200000000000002 112.329 -173.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -77.78 -17.36 78.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.583 -0.818 . . . . 0.32000000000000001 112.361 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 554' ' ' MET . 7.3 m-20 -116.76 25.53 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.452 0.644 . . . . 1.23 110.509 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -58.01 -44.27 87.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.944 -1.026 . . . . 0.23999999999999999 110.479 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -66.54 -41.79 88.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 2.8999999999999999 110.865 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 20.8 m -56.72 -46.15 81.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.844 -0.616 . . . . 0.34999999999999998 110.882 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.592 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.6 mmt -68.62 -48.69 63.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.703 -0.68 . . . . 0.14000000000000001 110.917 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.38 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.89 -0.595 . . . . 0.17000000000000001 111.143 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 10.7 tmtt? -66.98 -44.4 80.52 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.415 -0.587 . . . . 1.8300000000000001 109.415 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.608 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.17 -45.69 87.05 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.28 0.562 . . . . 0.17999999999999999 110.141 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 554' ' ' MET . 40.0 mt -62.04 -48.0 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.112 -0.949 . . . . 0.17999999999999999 109.978 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -63.16 -38.66 92.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.654 -0.703 . . . . 2.2000000000000002 110.972 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.54 -40.81 97.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.03 110.462 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.7 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.2 tpt180 -73.36 -45.48 54.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.825 -0.625 . . . . 1.5700000000000001 110.51 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 558' ' ' ILE . 71.0 t -59.91 -36.28 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.652 -0.249 . . . . 0.23999999999999999 110.961 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 28.6 t -56.36 -49.9 73.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.114 -0.494 . . . . 0.83999999999999997 110.56 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -72.29 -38.3 68.8 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.533 -0.303 . . . . 1.7 110.313 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.438 HD13 ' CD1' ' A' ' 500' ' ' ILE . 70.6 mt -55.11 -54.36 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 0.57999999999999996 111.387 175.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 51.9 mttp . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.889 -0.596 . . . . 0.88 110.88 178.684 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.361 0 CA-C-O 120.858 0.144 . . . . 0.57999999999999996 112.932 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.568 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -155.53 153.9 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 C-N-CA 124.143 0.977 . . . . 0.35999999999999999 108.926 177.313 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -164.91 143.18 6.48 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.707 -0.479 . . . . 2.96 109.707 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.648 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 65.3 t -109.26 136.82 43.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.046 0.451 . . . . 0.23000000000000001 111.474 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.585 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 73.3 mm-40 -121.4 159.66 25.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.29 -0.868 . . . . 2.0099999999999998 109.839 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 502' ' ' LEU . 68.9 mt -81.67 139.01 35.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.189 -0.46 . . . . 0.37 109.971 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -82.35 -20.73 36.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.527 0.679 . . . . 0.42999999999999999 109.796 175.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.65 -169.27 2.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.076 -0.966 . . . . 2.02 109.132 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -105.94 89.25 3.02 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.858 -0.337 . . . . 2.3599999999999999 110.485 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 493' ' ' ASP . . . . . 0.464 ' H ' HD13 ' A' ' 489' ' ' LEU . 18.1 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 1.3700000000000001 111.016 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 498' ' ' ILE . . . . . 0.465 HG23 ' CB ' ' A' ' 529' ' ' GLU . 16.0 mm . . . . . 0 CA--C 1.515 -0.397 0 CA-C-O 121.383 0.611 . . . . 0.68000000000000005 109.642 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -137.31 127.64 26.41 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.47 -0.786 . . . . 0.45000000000000001 110.469 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 14.0 pt -126.82 -178.1 2.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.017 -0.538 . . . . 0.31 111.335 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -123.83 115.78 21.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 1.8100000000000001 109.422 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.648 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 57.6 mt -115.32 159.77 20.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.0 -0.546 . . . . 0.59999999999999998 111.239 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.683 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 38.3 m95 -122.61 125.31 45.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.731 0.301 . . . . 0.34000000000000002 110.5 169.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.639 HD21 ' SD ' ' A' ' 554' ' ' MET . 23.8 tp -81.46 98.71 8.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.22 -0.446 . . . . 0.28999999999999998 110.263 176.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -84.31 137.04 33.66 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 120.837 -0.345 . . . . 3.3300000000000001 110.449 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.696 HG21 HG22 ' A' ' 509' ' ' ILE . 27.8 mm -90.41 108.87 20.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.904 -0.589 . . . . 0.51000000000000001 109.441 173.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -79.76 -38.2 33.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.273 -0.421 . . . . 1.52 110.842 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -151.47 111.3 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.095 -0.502 . . . . 0.70999999999999996 110.125 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.696 HG22 HG21 ' A' ' 506' ' ' ILE . 2.1 pp -74.66 -11.6 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.48 0.548 . . . . 0.70999999999999996 112.48 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -76.48 -22.04 55.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.366 0.603 . . . . 3.1499999999999999 110.247 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -73.95 -18.37 60.89 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.516 -0.765 . . . . 3.1899999999999999 110.754 174.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.557 HD11 HG23 ' A' ' 506' ' ' ILE . 27.8 mt -102.05 151.91 21.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.772 -0.649 . . . . 0.57999999999999996 111.6 -172.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -89.97 -26.48 20.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.256 -0.884 . . . . 3.2999999999999998 110.464 -176.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -84.18 -166.31 40.58 Favored Glycine 0 C--N 1.317 -0.515 0 CA-C-N 115.404 -0.816 . . . . 0.95999999999999996 112.578 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -111.58 110.85 21.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 3.5299999999999998 110.373 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -132.49 169.1 17.04 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.115 -0.698 . . . . 0.72999999999999998 109.115 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 35.0 mtmm -98.95 139.82 34.04 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.632 -0.507 . . . . 1.98 109.632 175.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.64 37.52 0.53 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.826 0.822 . . . . 2.29 110.64 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 517' ' ' LYS . 31.7 p30 -167.03 26.04 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.379 -1.282 . . . . 2.5600000000000001 108.947 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 520' ' ' GLU . . . . . 0.445 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 13.0 tt0 -111.34 143.81 41.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.113 -0.949 . . . . 1.52 111.102 -171.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.46 140.01 44.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.849 -0.614 . . . . 0.42999999999999999 110.631 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.644 HD13 ' HB3' ' A' ' 545' ' ' TYR . 96.8 mt -108.75 107.83 23.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.22 -0.9 . . . . 0.39000000000000001 110.601 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.683 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.1 tt0 -68.3 129.03 38.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 0.59999999999999998 110.877 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 524' ' ' PHE . . . . . 0.497 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 40.1 p90 -146.21 142.76 28.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.405 -0.362 . . . . 0.23999999999999999 110.072 176.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.4 m -84.57 143.2 29.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.17 -0.678 . . . . 1.24 109.17 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -131.93 115.76 16.28 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 119.722 -0.791 . . . . 0.27000000000000002 110.918 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.67 102.28 12.83 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.227 -1.027 . . . . 0.57999999999999996 108.227 171.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.93 -18.37 60.05 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.417 0.627 . . . . 0.51000000000000001 111.363 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 529' ' ' GLU . . . . . 0.465 ' CB ' HG23 ' A' ' 498' ' ' ILE . 33.8 tt0 -93.24 -43.32 8.88 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.125 -0.943 . . . . 2.1800000000000002 111.058 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -97.44 -46.65 5.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.898 0.703 . . . . 4.0999999999999996 112.898 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.6 146.77 46.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.747 0.784 . . . . 0.60999999999999999 112.431 -171.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 89.4 t -117.08 135.04 22.97 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.535 -1.211 . . . . 0.28000000000000003 108.681 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.36 -36.84 70.41 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.466 2.777 . . . . 0.23999999999999999 112.971 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -71.28 -33.07 69.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.452 -0.34 . . . . 2.3399999999999999 111.235 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 27.1 t70 -69.69 -43.92 71.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.048 0.451 . . . . 1.0900000000000001 110.081 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.42 HG11 ' CD2' ' A' ' 524' ' ' PHE . 88.8 t -63.88 -42.07 94.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.714 -0.676 . . . . 0.28000000000000003 110.629 177.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.73 -26.76 68.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.511 -0.313 . . . . 0.17000000000000001 110.582 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.524 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 57.2 mm-40 -66.79 -45.81 77.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.43 -0.35 . . . . 1.0800000000000001 110.236 173.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 539' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 29.0 mm-40 -59.15 -40.58 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 2.0699999999999998 109.676 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.476 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 55.8 mtt -55.3 -46.09 76.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.001 -1.0 . . . . 0.25 110.954 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.675 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 64.7 t -65.6 -49.93 74.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.23999999999999999 111.069 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.19 -36.5 84.25 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.131 0.419 . . . . 0.77000000000000002 112.131 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 54.0 m -81.94 -8.76 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.657 -0.417 . . . . 1.22 111.7 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 94.79 9.43 58.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.592 -0.813 . . . . 0.54000000000000004 113.773 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.644 ' HB3' HD13 ' A' ' 522' ' ' ILE . 82.5 m-85 -77.75 -43.5 30.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.294 0.568 . . . . 0.56000000000000005 110.102 177.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.675 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 81.9 t -122.84 147.85 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.102 -0.954 . . . . 0.17000000000000001 110.308 -175.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.4 ' O ' HG12 ' A' ' 546' ' ' VAL . 41.4 t -83.69 145.12 28.94 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.314 -0.625 . . . . 0.42999999999999999 109.314 174.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.17 -26.23 60.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 2.7200000000000002 111.1 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -71.2 -15.75 74.8 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.985 -0.626 . . . . 0.32000000000000001 112.462 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 554' ' ' MET . 68.4 m-20 -109.56 11.79 24.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.604 0.24 . . . . 1.23 111.056 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 551' ' ' HIS . . . . . 0.524 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 45.6 t-80 -56.98 -50.91 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.38 . . . . 0.23999999999999999 111.57 -177.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.18 -33.14 75.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.207 0.527 . . . . 2.8999999999999999 110.489 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 33.0 m -67.63 -47.23 70.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.227 -0.897 . . . . 0.34999999999999998 111.001 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.639 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.3 mmt -67.92 -42.1 81.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.14000000000000001 110.786 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.71 -33.73 70.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.625 -0.716 . . . . 0.17000000000000001 110.561 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -69.02 -44.96 71.7 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.924 -0.58 . . . . 1.8300000000000001 110.582 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -57.9 -46.02 85.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.435 . . . . 0.17999999999999999 110.35 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.497 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 80.2 mt -61.65 -50.76 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.284 -0.871 . . . . 0.17999999999999999 110.259 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -57.98 -44.11 86.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.981 -0.554 . . . . 2.2000000000000002 111.287 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -56.7 -47.81 79.08 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.826 0.346 . . . . 1.03 111.167 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.1 tpt180 -68.09 -44.44 76.24 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.82 -0.352 . . . . 1.5700000000000001 110.101 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 558' ' ' ILE . 75.4 t -60.47 -34.62 58.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.141 -0.481 . . . . 0.23999999999999999 111.089 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 71.1 m -62.03 -44.76 96.01 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 111.639 0.237 . . . . 0.83999999999999997 111.639 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -74.91 -31.8 61.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.347 0.594 . . . . 1.7 110.472 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 561' ' ' ARG . 78.1 mt -63.07 -51.94 65.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.323 -0.853 . . . . 0.57999999999999996 111.136 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 566' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 562' ' ' VAL . 97.3 mttt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.894 -0.593 . . . . 0.88 111.338 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.083 0 CA-C-O 120.715 0.064 . . . . 0.57999999999999996 113.234 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.551 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.7 OUTLIER -148.65 155.75 8.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 122.712 0.405 . . . . 0.35999999999999999 110.144 177.805 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.635 ' C ' ' HD2' ' A' ' 486' ' ' ARG . 2.0 tmm_? -164.8 136.21 4.24 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.327 -0.852 . . . . 2.96 109.05 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.545 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 65.0 t -109.24 136.54 44.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.659 -0.7 . . . . 0.23000000000000001 111.169 -176.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -120.71 163.61 17.83 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.142 -0.936 . . . . 2.0099999999999998 110.012 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 502' ' ' LEU . 66.7 mt -83.69 149.5 26.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.953 -0.567 . . . . 0.37 110.687 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.609 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -92.73 -2.0 56.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.42999999999999999 110.074 174.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -152.37 -177.87 6.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.925 -1.034 . . . . 2.02 109.629 -172.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -94.02 81.28 4.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.145 0.498 . . . . 2.3599999999999999 110.6 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 493' ' ' ASP . . . . . 0.529 ' HB3' HD13 ' A' ' 489' ' ' LEU . 22.3 t70 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.796 -0.638 . . . . 1.3700000000000001 110.518 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.329 0.585 . . . . 0.68000000000000005 109.747 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 499' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -112.4 122.75 48.6 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.448 -0.796 . . . . 0.45000000000000001 110.278 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.461 ' CD1' HD13 ' A' ' 565' ' ' ILE . 12.5 pt -116.94 175.61 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.524 -0.762 . . . . 0.31 111.264 -173.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.494 ' HD2' ' CG ' ' A' ' 523' ' ' GLU . 4.5 tppp? -119.89 118.66 31.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.654 -0.703 . . . . 1.8100000000000001 109.888 176.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 489' ' ' LEU . 48.5 mt -117.18 158.2 24.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.879 -0.6 . . . . 0.59999999999999998 110.94 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.712 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.3 m95 -125.4 117.36 23.53 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.651 -0.5 . . . . 0.34000000000000002 109.651 170.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.59 HD21 ' SD ' ' A' ' 554' ' ' MET . 38.0 tp -73.4 107.33 5.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.28999999999999998 110.49 178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 520' ' ' GLU . 60.8 mtt180 -98.19 129.01 44.96 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.192 -0.458 . . . . 3.3300000000000001 110.59 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.541 HG21 HG22 ' A' ' 509' ' ' ILE . 21.0 mm -82.75 114.47 23.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.065 -0.717 . . . . 0.51000000000000001 109.065 174.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.36 -37.39 57.34 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.846 -0.616 . . . . 1.52 110.569 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.459 ' OD1' ' HB2' ' A' ' 510' ' ' LYS . 16.0 t70 -150.26 109.69 3.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.515 -0.766 . . . . 0.70999999999999996 109.237 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.541 HG22 HG21 ' A' ' 506' ' ' ILE . 2.3 pp -73.89 -17.16 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.959 0.409 . . . . 0.70999999999999996 111.028 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' LYS . . . . . 0.459 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 33.2 mmtp -70.99 -28.67 64.61 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.227 0.536 . . . . 3.1499999999999999 110.078 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -66.97 -18.04 65.2 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.41 -0.814 . . . . 3.1899999999999999 111.178 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.491 HD11 HG23 ' A' ' 506' ' ' ILE . 19.4 mt -103.89 163.29 12.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.087 -0.506 . . . . 0.57999999999999996 110.724 -175.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -105.57 7.62 32.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.011 -0.541 . . . . 3.2999999999999998 110.093 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -102.79 -175.14 26.87 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.616 -0.72 . . . . 0.95999999999999996 111.673 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -110.87 109.92 20.3 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.728 -0.471 . . . . 3.5299999999999998 109.728 -178.791 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 516' ' ' TYR . . . . . 0.432 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 78.6 m-85 -137.05 152.27 49.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.885 0.374 . . . . 0.72999999999999998 110.824 -175.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 519' ' ' ASN . 55.1 mtpt -74.44 144.9 44.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.728 -0.669 . . . . 1.98 109.765 174.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -78.9 36.54 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.171 0.986 . . . . 2.29 110.179 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' A' ' 517' ' ' LYS . 57.8 t30 -168.9 27.52 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.36 -1.291 . . . . 2.5600000000000001 108.238 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 520' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 5.4 tp10 -84.04 132.37 34.73 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.365 -0.834 . . . . 1.52 110.57 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.578 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.64 111.95 9.8 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.441 -0.8 . . . . 0.42999999999999999 110.189 176.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.63 HD13 ' HB3' ' A' ' 545' ' ' TYR . 63.1 mt -97.13 106.69 18.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 114.601 -1.181 . . . . 0.39000000000000001 110.688 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.712 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.2 tt0 -68.81 132.86 47.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.307 -0.406 . . . . 0.59999999999999998 111.022 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 524' ' ' PHE . . . . . 0.531 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 37.2 p90 -151.21 145.78 25.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.065 -0.516 . . . . 0.23999999999999999 110.189 175.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 52.1 m -90.81 142.01 28.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.965 -0.383 . . . . 1.24 109.965 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -131.2 115.37 16.26 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.51 -0.476 . . . . 0.27000000000000002 110.681 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 11.3 t70 -84.34 113.46 21.17 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.544 -0.91 . . . . 0.57999999999999996 108.544 171.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.33 -22.85 66.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.946 -0.57 . . . . 0.51000000000000001 112.188 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -103.03 -29.14 11.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.74 0.305 . . . . 2.1800000000000002 111.575 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -106.98 -44.04 4.5 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.785 0.661 . . . . 4.0999999999999996 112.785 -174.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.12 150.24 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.174 0.511 . . . . 0.60999999999999999 111.549 -175.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 71.7 t -120.4 133.07 23.96 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.406 -0.815 . . . . 0.28000000000000003 109.914 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.582 ' HG2' ' HG2' ' A' ' 559' ' ' LYS . 36.3 Cg_exo -55.27 -41.15 81.23 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.507 2.804 . . . . 0.23999999999999999 112.78 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -71.53 -32.88 68.66 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.236 -0.438 . . . . 2.3399999999999999 110.908 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 20.1 t70 -69.13 -47.52 64.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.301 -0.408 . . . . 1.0900000000000001 110.112 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.492 HG11 ' CD2' ' A' ' 524' ' ' PHE . 100.0 t -59.46 -41.7 85.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.28000000000000003 110.851 178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -66.36 -25.73 66.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.17000000000000001 110.958 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -75.46 -40.34 57.57 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.716 0.293 . . . . 1.0800000000000001 110.268 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 49.4 mm-40 -57.31 -40.84 78.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.343 -0.614 . . . . 2.0699999999999998 109.343 172.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 537' ' ' ALA . 56.1 mtt -55.58 -45.38 77.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.022 -0.99 . . . . 0.25 110.975 175.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 537' ' ' ALA . 93.6 t -65.23 -51.17 68.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.839 -0.619 . . . . 0.23999999999999999 111.217 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.54 -33.01 74.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.77000000000000002 111.822 -175.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.7 m -83.39 -2.08 54.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.708 0.29 . . . . 1.22 111.435 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 84.97 28.79 30.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.797 -0.716 . . . . 0.54000000000000004 113.13 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.63 ' HB3' HD13 ' A' ' 522' ' ' ILE . 64.0 m-85 -98.45 -51.02 4.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.152 0.501 . . . . 0.56000000000000005 110.601 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.547 HG11 ' HG3' ' A' ' 554' ' ' MET . 71.6 t -115.93 150.15 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.315 -0.857 . . . . 0.17000000000000001 110.83 -172.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.1 t -83.92 141.08 31.53 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.205 -0.665 . . . . 0.42999999999999999 109.205 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -14.06 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.783 0.66 . . . . 2.7200000000000002 112.783 -173.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -90.86 -13.95 58.59 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.504 -0.855 . . . . 0.32000000000000001 112.499 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 554' ' ' MET . 15.9 m-20 -108.45 19.56 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.422 0.629 . . . . 1.23 110.128 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -60.28 -47.15 87.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.199 -0.909 . . . . 0.23999999999999999 110.983 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -56.28 -41.5 75.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 2.8999999999999999 110.959 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' THR . . . . . 0.414 HG21 ' CD2' ' A' ' 512' ' ' LEU . 35.4 m -65.69 -44.68 85.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.34999999999999998 111.166 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.59 ' SD ' HD21 ' A' ' 504' ' ' LEU . 23.6 mmt -69.59 -45.5 68.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.14000000000000001 111.18 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.92 74.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.17000000000000001 110.48 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -65.4 -42.27 92.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.402 -0.817 . . . . 1.8300000000000001 110.519 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.551 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -62.1 -45.53 93.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.218 0.532 . . . . 0.17999999999999999 110.488 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.531 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 86.1 mt -61.77 -49.41 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 115.294 -0.866 . . . . 0.17999999999999999 110.424 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.582 ' HG2' ' HG2' ' A' ' 533' ' ' PRO . 1.8 tmtt? -64.53 -44.26 91.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.706 -0.679 . . . . 2.2000000000000002 110.467 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.3 -50.5 64.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.126 -0.488 . . . . 1.03 111.238 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.657 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 6.7 tpt180 -64.17 -47.84 78.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.08 -0.509 . . . . 1.5700000000000001 110.657 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 558' ' ' ILE . 77.8 t -56.5 -32.97 37.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.764 -0.653 . . . . 0.23999999999999999 111.294 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 53.5 m -64.48 -43.87 92.79 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 111.959 0.355 . . . . 0.83999999999999997 111.959 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.1 pp -74.5 -32.3 62.48 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.618 0.723 . . . . 1.7 109.952 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.461 HD13 ' CD1' ' A' ' 500' ' ' ILE . 72.9 mt -61.43 -47.28 94.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 114.92 -1.036 . . . . 0.57999999999999996 111.069 173.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 94.6 mttt . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 0.88 111.001 177.427 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.441 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.516 0.133 0 N-CA-C 113.653 0.221 . . . . 0.57999999999999996 113.653 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -153.41 159.37 3.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 123.1 0.56 . . . . 0.35999999999999999 109.607 177.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.424 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 15.5 tpp180 -159.09 131.7 6.84 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.366 0.603 . . . . 2.96 110.289 177.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.594 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 46.4 t -104.13 137.1 34.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.411 -0.813 . . . . 0.23000000000000001 110.714 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.549 ' OE2' ' HD2' ' A' ' 505' ' ' ARG . 44.5 mt-10 -129.46 158.1 40.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.625 -0.716 . . . . 2.0099999999999998 110.517 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.535 HD23 HD23 ' A' ' 502' ' ' LEU . 76.3 mt -77.3 137.58 38.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.835 -0.621 . . . . 0.37 110.664 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.452 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -81.03 -18.32 47.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.41 0.624 . . . . 0.42999999999999999 110.221 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -141.5 168.65 19.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.277 -0.874 . . . . 2.02 109.776 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.43 115.21 14.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.215 -0.448 . . . . 2.3599999999999999 110.254 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 493' ' ' ASP . . . . . 0.436 ' HB3' HD13 ' A' ' 489' ' ' LEU . 28.5 t70 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.187 0.518 . . . . 1.3700000000000001 111.405 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 121.628 0.728 . . . . 0.68000000000000005 109.475 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -126.02 121.99 34.57 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.033 -0.985 . . . . 0.45000000000000001 110.524 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.476 ' CD1' HD13 ' A' ' 565' ' ' ILE . 10.5 pt -118.25 -174.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.572 -0.74 . . . . 0.31 110.805 -174.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 30.2 ttpt -136.84 122.26 19.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.826 -0.625 . . . . 1.8100000000000001 109.952 177.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.594 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 28.1 mt -119.83 159.13 25.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.502 -0.772 . . . . 0.59999999999999998 110.967 -172.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.7 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.1 m95 -121.95 121.35 36.87 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.764 -0.458 . . . . 0.34000000000000002 109.764 169.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.615 HD21 ' SD ' ' A' ' 554' ' ' MET . 60.7 tp -78.88 96.19 5.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.123 -0.489 . . . . 0.28999999999999998 109.992 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.711 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 43.7 mtt180 -90.85 123.62 34.53 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.788 -0.642 . . . . 3.3300000000000001 110.43 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.584 HG21 HG22 ' A' ' 509' ' ' ILE . 18.8 mm -79.13 122.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.51000000000000001 110.175 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.441 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 6.9 mm-40 -86.12 -47.24 9.69 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.025 -0.534 . . . . 1.52 110.765 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.465 ' OD1' ' HG2' ' A' ' 511' ' ' LYS . 12.8 t70 -134.45 105.63 6.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.315 -0.402 . . . . 0.70999999999999996 110.188 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.584 HG22 HG21 ' A' ' 506' ' ' ILE . 2.0 pp -75.39 -9.23 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.70999999999999996 111.888 -177.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 510' ' ' LYS . . . . . 0.404 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 35.5 mmtp -81.86 -29.92 32.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 3.1499999999999999 110.375 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' LYS . . . . . 0.465 ' HG2' ' OD1' ' A' ' 508' ' ' ASP . 74.2 mmtt -68.8 -10.8 58.79 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.865 -0.607 . . . . 3.1899999999999999 110.954 176.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.406 HD11 HG23 ' A' ' 506' ' ' ILE . 15.8 mt -111.34 156.21 21.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.57999999999999996 110.649 -175.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -102.06 -16.13 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 3.2999999999999998 111.157 -175.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -78.23 -154.73 7.48 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.752 -0.737 . . . . 0.95999999999999996 113.147 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 105.17 12.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.714 -0.476 . . . . 3.5299999999999998 109.714 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -136.73 149.09 47.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.987 0.422 . . . . 0.72999999999999998 110.53 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 49.3 mtmt -101.15 157.17 16.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.978 -0.555 . . . . 1.98 109.949 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -80.52 17.77 1.04 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.494 0.664 . . . . 2.29 111.73 -173.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -149.04 22.25 0.97 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.873 -1.058 . . . . 2.5600000000000001 109.073 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 520' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 16.0 tt0 -97.04 139.64 32.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 1.52 110.966 -173.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.711 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -143.55 132.13 22.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.199 -0.91 . . . . 0.42999999999999999 110.529 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.511 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 89.4 mt -103.99 104.31 16.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-N 115.418 -0.81 . . . . 0.39000000000000001 110.654 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.7 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 25.2 tt0 -71.25 128.49 36.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.59999999999999998 110.399 178.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 524' ' ' PHE . . . . . 0.41 ' CD2' HG11 ' A' ' 536' ' ' VAL . 39.9 p90 -149.41 140.95 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.174 -0.466 . . . . 0.23999999999999999 109.982 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 8.9 p -83.44 150.13 26.23 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.678 -0.49 . . . . 1.24 109.678 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -137.02 114.86 11.34 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.052 -0.659 . . . . 0.27000000000000002 110.955 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.18 110.13 18.28 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.581 -0.896 . . . . 0.57999999999999996 108.581 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.48 ' CD2' HG13 ' A' ' 562' ' ' VAL . 86.4 mt -63.57 -20.03 65.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.154 -0.475 . . . . 0.51000000000000001 112.113 -172.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -96.47 -46.97 6.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.433 -0.349 . . . . 2.1800000000000002 111.586 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -90.04 -38.24 13.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.053 0.761 . . . . 4.0999999999999996 113.053 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -83.59 152.93 24.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.493 0.663 . . . . 0.60999999999999999 112.041 -172.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 76.0 t -126.93 131.89 24.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.086 -0.961 . . . . 0.28000000000000003 109.718 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -54.2 -39.5 86.07 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.574 2.849 . . . . 0.23999999999999999 113.648 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.03 -25.26 59.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.667 0.27 . . . . 2.3399999999999999 111.198 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -72.51 -48.04 43.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.412 0.625 . . . . 1.0900000000000001 109.703 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 524' ' ' PHE . 97.8 t -62.48 -40.67 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.164 -0.925 . . . . 0.28000000000000003 111.169 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.28 -17.3 64.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.367 . . . . 0.17000000000000001 111.216 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -78.05 -40.7 37.91 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 110.129 -0.323 . . . . 1.0800000000000001 110.129 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -57.19 -41.7 79.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.997 -0.742 . . . . 2.0699999999999998 108.997 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.445 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 56.2 mtt -55.14 -42.09 72.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.844 -1.071 . . . . 0.25 111.335 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.6 t -70.2 -46.76 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 0.23999999999999999 111.039 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.09 -34.62 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.77000000000000002 111.636 -175.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 23.4 m -75.6 -9.6 58.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.66 0.267 . . . . 1.22 111.431 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 92.25 16.01 51.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.54000000000000004 113.041 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.46 ' HB3' HD13 ' A' ' 522' ' ' ILE . 44.2 m-85 -90.97 -52.44 4.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.344 0.592 . . . . 0.56000000000000005 110.889 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 73.2 t -111.64 148.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.463 -0.79 . . . . 0.17000000000000001 110.484 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.0 t -82.16 140.49 33.72 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.244 -0.65 . . . . 0.42999999999999999 109.244 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' GLU . . . . . 0.459 ' HB2' HG11 ' A' ' 541' ' ' VAL . 13.3 tm-20 -56.32 -32.33 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 2.7200000000000002 110.694 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.92 -32.65 84.91 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.7 -0.762 . . . . 0.32000000000000001 112.216 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -89.16 7.88 32.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.367 . . . . 1.23 111.026 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -54.99 -39.4 68.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.04 -0.527 . . . . 0.23999999999999999 111.376 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' LYS . . . . . 0.538 ' HD3' ' H ' ' A' ' 552' ' ' LYS . 0.1 OUTLIER -66.72 -43.61 83.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.04 0.447 . . . . 2.8999999999999999 110.483 -177.251 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 59.3 m -65.1 -44.98 87.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.312 -0.858 . . . . 0.34999999999999998 111.051 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.615 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.4 mmt -67.41 -47.03 71.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.963 -0.562 . . . . 0.14000000000000001 110.938 -177.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.79 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.17000000000000001 110.753 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 556' ' ' LYS . . . . . 0.44 ' O ' ' HD2' ' A' ' 556' ' ' LYS . 0.0 OUTLIER -72.78 -37.6 67.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.379 -0.6 . . . . 1.8300000000000001 109.379 177.826 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.61 -46.93 88.4 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.17 0.509 . . . . 0.17999999999999999 109.844 174.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 554' ' ' MET . 59.1 mt -59.89 -53.62 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 114.997 -1.001 . . . . 0.17999999999999999 110.026 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -61.03 -40.35 93.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.849 -0.614 . . . . 2.2000000000000002 111.032 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 560' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 9.2 t0 -54.96 -52.83 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 1.03 110.296 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -67.16 -47.78 69.98 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.407 -0.815 . . . . 1.5700000000000001 110.813 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 558' ' ' ILE . 79.2 t -58.15 -39.34 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.969 -0.559 . . . . 0.23999999999999999 111.394 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.0 t -62.06 -40.93 97.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.263 -0.426 . . . . 0.83999999999999997 110.217 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 76.2 mt -68.79 -38.97 80.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.387 0.613 . . . . 1.7 110.319 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.476 HD13 ' CD1' ' A' ' 500' ' ' ILE . 81.3 mt -60.09 -44.16 94.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.121 -0.945 . . . . 0.57999999999999996 110.967 176.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 39.2 mttm . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 115.584 -0.735 . . . . 0.88 110.984 175.636 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.601 0 N-CA-C 110.233 -1.147 . . . . 0.57999999999999996 110.233 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.63 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -149.04 154.62 9.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.465 -0.868 . . . . 0.35999999999999999 109.85 -179.442 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -156.97 135.63 11.55 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.344 0.593 . . . . 2.96 110.646 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 47.2 t -109.69 136.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.375 -0.829 . . . . 0.23000000000000001 110.555 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.442 ' OE2' ' HD2' ' A' ' 505' ' ' ARG . 39.5 mt-10 -132.83 162.16 32.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.395 -0.821 . . . . 2.0099999999999998 110.161 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 84.8 mt -84.11 141.49 31.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.976 -0.556 . . . . 0.37 111.675 -174.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -88.83 -11.31 45.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.576 -0.738 . . . . 0.42999999999999999 109.478 171.2 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.562 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 13.2 pt-20 -154.43 167.48 29.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.113 -0.949 . . . . 2.02 109.457 -176.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.79 122.59 23.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.463 -0.335 . . . . 2.3599999999999999 110.568 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 . . . . . 0 N--CA 1.443 -0.804 0 CA-C-O 121.735 0.779 . . . . 1.3700000000000001 111.246 -178.969 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 36.6 mm . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 109.317 -0.623 . . . . 0.68000000000000005 109.317 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 499' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -120.31 121.43 38.62 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.44 -0.8 . . . . 0.45000000000000001 110.992 -177.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.54 ' CD1' HD13 ' A' ' 565' ' ' ILE . 14.9 pt -114.6 -177.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.404 -0.816 . . . . 0.31 110.488 -177.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.517 ' HD2' ' CG ' ' A' ' 523' ' ' GLU . 4.0 tppp? -123.29 121.84 36.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.254 -0.43 . . . . 1.8100000000000001 110.421 177.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.54 HD23 HD23 ' A' ' 489' ' ' LEU . 25.9 mt -119.66 157.84 27.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.712 -0.676 . . . . 0.59999999999999998 110.483 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.629 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.3 m95 -121.76 128.88 52.24 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.765 -0.458 . . . . 0.34000000000000002 109.765 170.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.591 HD21 ' SD ' ' A' ' 554' ' ' MET . 57.1 tp -89.9 109.06 20.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.28999999999999998 110.672 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.527 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 58.3 mtt85 -102.76 140.53 36.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.237 -0.438 . . . . 3.3300000000000001 110.567 177.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.456 HG21 HG22 ' A' ' 509' ' ' ILE . 20.2 mm -93.66 126.78 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.366 -0.379 . . . . 0.51000000000000001 110.607 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -87.0 -29.45 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.928 -0.578 . . . . 1.52 111.007 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.443 ' CG ' ' HG2' ' A' ' 511' ' ' LYS . 23.3 t0 -147.06 90.59 1.91 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.98 -0.554 . . . . 0.70999999999999996 110.029 -177.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.456 HG22 HG21 ' A' ' 506' ' ' ILE . 2.5 pp -73.53 -10.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.299 -0.409 . . . . 0.70999999999999996 111.136 -177.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.16 -25.94 36.45 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.992 -0.549 . . . . 3.1499999999999999 111.144 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' LYS . . . . . 0.443 ' HG2' ' CG ' ' A' ' 508' ' ' ASP . 46.0 mmtm -83.46 -24.2 31.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.894 0.378 . . . . 3.1899999999999999 111.255 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 36.1 mt -81.71 159.19 23.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.942 -0.572 . . . . 0.57999999999999996 110.394 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -112.12 66.32 0.64 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.688 0.756 . . . . 3.2999999999999998 109.492 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.21 -170.62 25.04 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.033 -0.985 . . . . 0.95999999999999996 110.731 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -106.48 101.66 11.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.165 0.483 . . . . 3.5299999999999998 110.784 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -136.03 145.66 46.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.628 -0.714 . . . . 0.72999999999999998 109.733 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.473 ' C ' ' H ' ' A' ' 519' ' ' ASN . 9.1 mptt -90.98 156.58 17.85 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.234 -0.654 . . . . 1.98 109.234 176.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.93 35.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.85 0.833 . . . . 2.29 110.709 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 517' ' ' LYS . 27.3 t-20 -174.95 37.21 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.543 -1.208 . . . . 2.5600000000000001 108.09 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -105.22 135.12 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.343 -0.844 . . . . 1.52 109.986 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.96 118.93 16.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.72 -0.673 . . . . 0.42999999999999999 110.58 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.579 HD13 ' HB3' ' A' ' 545' ' ' TYR . 95.0 mt -95.14 105.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 114.922 -1.035 . . . . 0.39000000000000001 110.484 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.629 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 19.6 tt0 -72.27 126.74 30.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.141 -0.481 . . . . 0.59999999999999998 110.267 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 524' ' ' PHE . . . . . 0.466 ' CD2' HG11 ' A' ' 536' ' ' VAL . 36.3 p90 -146.28 145.1 30.24 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.948 -0.39 . . . . 0.23999999999999999 109.948 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 32.5 p -88.94 149.53 23.27 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.699 -0.482 . . . . 1.24 109.699 176.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 526' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 29.4 t80 -130.29 116.61 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.412 -0.515 . . . . 0.27000000000000002 110.707 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 527' ' ' ASP . . . . . 0.461 ' HB3' ' H ' ' A' ' 531' ' ' ASP . 10.7 t70 -84.58 109.42 17.94 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.807 -0.812 . . . . 0.57999999999999996 108.807 173.254 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.449 HD23 ' CD1' ' A' ' 526' ' ' PHE . 59.7 mt -68.16 -9.03 43.67 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.863 -0.608 . . . . 0.51000000000000001 112.209 -172.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -105.78 -50.44 3.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.347 . . . . 2.1800000000000002 110.944 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -86.37 -50.38 6.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.537 0.569 . . . . 4.0999999999999996 112.537 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 531' ' ' ASP . . . . . 0.461 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 51.3 m-20 -72.32 147.82 45.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.325 0.583 . . . . 0.60999999999999999 111.388 -173.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.407 HG13 ' HD2' ' A' ' 533' ' ' PRO . 70.3 t -120.41 140.27 29.99 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.289 -0.869 . . . . 0.28000000000000003 109.098 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.407 ' HD2' HG13 ' A' ' 532' ' ' VAL . 72.9 Cg_exo -51.94 -49.1 18.43 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.063 1.842 . . . . 0.23999999999999999 112.249 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.71 -30.21 70.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.412 -0.358 . . . . 2.3399999999999999 111.453 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.14 -46.01 62.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.117 0.484 . . . . 1.0900000000000001 110.143 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.71 ' O ' ' HG3' ' A' ' 539' ' ' GLU . 89.2 t -64.43 -37.37 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.28000000000000003 110.42 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.0 -14.52 62.97 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.601 -0.44 . . . . 0.17000000000000001 110.938 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.41 ' HG2' ' NE2' ' A' ' 551' ' ' HIS . 9.8 mm100 -84.81 -42.41 15.16 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.827 -0.169 . . . . 1.0800000000000001 110.692 174.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 539' ' ' GLU . . . . . 0.71 ' HG3' ' O ' ' A' ' 536' ' ' VAL . 0.0 OUTLIER -67.0 -28.92 68.65 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.527 -0.545 . . . . 2.0699999999999998 109.527 176.855 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 52.5 mtt -58.67 -45.75 88.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.431 -0.804 . . . . 0.25 110.469 170.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 537' ' ' ALA . 86.1 t -65.2 -50.26 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.473 -0.785 . . . . 0.23999999999999999 110.936 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.31 -36.05 74.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.31 -0.404 . . . . 0.77000000000000002 111.449 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 20.2 m -80.87 -1.51 43.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.4 -0.364 . . . . 1.22 111.535 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 88.54 0.7 81.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.952 -0.642 . . . . 0.54000000000000004 113.537 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.579 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.8 m-85 -70.54 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.169 0.509 . . . . 0.56000000000000005 110.568 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.616 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 95.8 t -101.05 148.28 7.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.615 -0.721 . . . . 0.17000000000000001 110.294 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 37.9 t -90.27 139.01 31.07 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.335 -0.987 . . . . 0.42999999999999999 108.335 173.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' GLU . . . . . 0.589 ' HB2' HG11 ' A' ' 541' ' ' VAL . 34.3 tt0 -66.55 -11.72 54.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.277 0.473 . . . . 2.7200000000000002 112.277 -168.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -79.13 -17.63 76.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.781 -0.723 . . . . 0.32000000000000001 112.038 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -113.28 24.31 12.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.531 0.681 . . . . 1.23 109.549 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 551' ' ' HIS . . . . . 0.41 ' NE2' ' HG2' ' A' ' 538' ' ' GLN . 18.4 t-80 -61.92 -44.87 95.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.87 -1.059 . . . . 0.23999999999999999 111.631 -176.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -67.72 -39.7 84.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.292 . . . . 2.8999999999999999 110.87 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 69.5 m -56.74 -45.67 81.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.817 -0.629 . . . . 0.34999999999999998 110.917 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.591 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.8 mmt -67.58 -47.45 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.514 . . . . 0.14000000000000001 110.833 -178.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -59.46 -37.52 78.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.606 -0.724 . . . . 0.17000000000000001 111.368 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.54 -40.06 92.48 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.128 -0.487 . . . . 1.8300000000000001 110.108 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.63 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -59.67 -46.46 88.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.327 0.584 . . . . 0.17999999999999999 110.185 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 554' ' ' MET . 59.0 mt -59.83 -52.33 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.905 -1.043 . . . . 0.17999999999999999 110.33 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.08 -39.18 88.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.851 -0.613 . . . . 2.2000000000000002 111.081 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.04 -35.58 81.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 1.03 110.89 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 561' ' ' ARG . 8.4 tpt180 -76.31 -45.6 31.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.904 0.383 . . . . 1.5700000000000001 110.403 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 558' ' ' ILE . 95.9 t -59.38 -27.75 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.748 -0.66 . . . . 0.23999999999999999 110.511 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.8 t -56.76 -51.11 70.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.497 . . . . 0.83999999999999997 110.444 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.23 -38.7 90.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.547 0.689 . . . . 1.7 110.762 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.54 HD13 ' CD1' ' A' ' 500' ' ' ILE . 57.4 mt -68.77 -45.85 80.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.124 -0.944 . . . . 0.57999999999999996 111.411 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 94.5 mttt . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.139 -0.482 . . . . 0.88 111.594 179.392 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.434 ' CA ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.443 -0.889 0 N-CA-C 111.104 -0.799 . . . . 0.57999999999999996 111.104 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.566 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 1.2 m -142.86 154.24 17.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.321 -0.439 . . . . 0.35999999999999999 111.229 178.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.428 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 13.8 tpp180 -158.87 133.93 8.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.637 0.732 . . . . 2.96 111.464 177.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 43.5 t -109.74 134.98 50.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.176 -0.92 . . . . 0.23000000000000001 110.217 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.418 ' OE1' ' HD2' ' A' ' 505' ' ' ARG . 44.6 mt-10 -130.78 156.78 44.4 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.734 -0.666 . . . . 2.0099999999999998 110.706 -176.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 43.3 mt -79.8 133.48 36.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.765 -0.652 . . . . 0.37 110.635 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.579 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -81.0 -18.51 46.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.547 0.689 . . . . 0.42999999999999999 109.679 174.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 11.2 pt-20 -137.66 156.67 47.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.577 -1.192 . . . . 2.02 109.055 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 492' ' ' GLU . . . . . 0.404 ' H ' ' HG2' ' A' ' 492' ' ' GLU . 7.4 pt-20 -69.36 115.71 8.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.931 -0.577 . . . . 2.3599999999999999 110.378 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.137 0.494 . . . . 1.3700000000000001 110.729 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 40.8 mm . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.68000000000000005 109.922 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 499' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -133.23 120.87 21.68 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.743 . . . . 0.45000000000000001 110.549 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.518 ' CD1' HD13 ' A' ' 565' ' ' ILE . 10.5 pt -115.34 -178.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.413 -0.812 . . . . 0.31 110.884 -174.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -125.29 113.32 17.45 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.08 -0.509 . . . . 1.8100000000000001 109.753 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 29.9 mt -114.21 158.18 21.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.714 -0.676 . . . . 0.59999999999999998 110.49 -176.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.679 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.5 m95 -120.68 118.98 31.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.717 -0.475 . . . . 0.34000000000000002 109.717 169.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.553 HD21 ' SD ' ' A' ' 554' ' ' MET . 49.9 tp -75.69 107.41 7.84 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.593 -0.521 . . . . 0.28999999999999998 109.593 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.569 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 61.9 mtt180 -110.7 151.97 27.09 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 116.11 -0.496 . . . . 3.3300000000000001 110.672 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.503 HG21 HG22 ' A' ' 509' ' ' ILE . 13.3 mm -103.41 125.65 57.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.005 -0.543 . . . . 0.51000000000000001 110.878 -175.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.434 ' HB2' ' CA ' ' A' ' 484' ' ' GLY . 6.2 mm-40 -79.27 -40.61 30.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.224 0.535 . . . . 1.52 110.246 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.434 ' CG ' ' HG2' ' A' ' 511' ' ' LYS . 8.7 t0 -143.15 97.52 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.432 -0.804 . . . . 0.70999999999999996 109.777 -175.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.503 HG22 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -73.78 -6.0 7.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.995 -0.548 . . . . 0.70999999999999996 112.157 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -91.56 -17.42 25.65 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.845 0.355 . . . . 3.1499999999999999 111.17 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 511' ' ' LYS . . . . . 0.434 ' HG2' ' CG ' ' A' ' 508' ' ' ASP . 26.4 mmtp -86.14 -10.34 54.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.284 0.564 . . . . 3.1899999999999999 110.468 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.423 HD11 HG23 ' A' ' 506' ' ' ILE . 47.1 mt -95.68 164.28 12.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.501 -0.772 . . . . 0.57999999999999996 109.953 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -98.0 -32.3 11.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.317 0.58 . . . . 3.2999999999999998 109.974 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -67.62 170.21 36.17 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.521 -0.763 . . . . 0.95999999999999996 113.26 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -90.93 118.69 30.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.838 0.351 . . . . 3.5299999999999998 110.294 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -139.43 176.67 8.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.796 0.331 . . . . 0.72999999999999998 110.305 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 519' ' ' ASN . 52.4 mtpt -118.7 154.43 32.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.787 -0.642 . . . . 1.98 110.103 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -78.94 37.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.982 0.896 . . . . 2.29 110.371 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.47 ' H ' ' C ' ' A' ' 517' ' ' LYS . 66.2 t30 179.42 42.32 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.249 -1.341 . . . . 2.5600000000000001 107.417 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 520' ' ' GLU . . . . . 0.412 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 8.9 tp10 -103.14 137.68 40.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.843 -1.071 . . . . 1.52 110.209 -172.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.569 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -145.6 137.74 25.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.441 0.638 . . . . 0.42999999999999999 111.158 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 545' ' ' TYR . 67.7 mt -119.5 102.89 13.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.937 -1.029 . . . . 0.39000000000000001 110.024 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.679 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.7 tt0 -71.52 130.65 41.8 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.957 -0.565 . . . . 0.59999999999999998 110.274 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -151.47 142.06 22.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.422 -0.354 . . . . 0.23999999999999999 110.308 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 11.8 t -83.18 145.63 29.08 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.342 -0.614 . . . . 1.24 109.342 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 526' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 30.0 t80 -130.19 118.34 21.27 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.476 -0.49 . . . . 0.27000000000000002 110.7 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -86.58 108.63 18.67 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.726 -0.842 . . . . 0.57999999999999996 108.726 172.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.04 -20.04 65.64 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.876 -0.602 . . . . 0.51000000000000001 112.041 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -97.26 -36.88 10.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.504 -0.316 . . . . 2.1800000000000002 111.425 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -99.58 -47.46 5.1 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.762 0.653 . . . . 4.0999999999999996 112.762 -175.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -73.69 146.79 44.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.493 0.663 . . . . 0.60999999999999999 112.567 -169.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 75.5 t -117.3 126.56 27.32 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 114.792 -1.095 . . . . 0.28000000000000003 109.189 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.446 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 48.8 Cg_exo -55.77 -38.79 93.96 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.404 2.736 . . . . 0.23999999999999999 113.033 -174.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.71 -36.81 81.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.03 0.443 . . . . 2.3399999999999999 110.584 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.615 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 0.1 OUTLIER -72.64 -35.07 67.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.752 -0.658 . . . . 1.0900000000000001 110.567 -179.164 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 93.4 t -68.19 -43.37 84.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.772 -0.649 . . . . 0.28000000000000003 110.335 176.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -63.29 -24.43 67.86 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.677 -0.409 . . . . 0.17000000000000001 110.386 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.2 mm100 -68.46 -49.67 58.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.438 -0.347 . . . . 1.0800000000000001 110.691 174.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 539' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 536' ' ' VAL . 12.8 pt-20 -66.2 -27.41 67.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.792 -0.447 . . . . 2.0699999999999998 109.792 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 52.9 mtt -59.59 -47.94 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.25 110.569 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 537' ' ' ALA . 66.0 t -64.43 -48.34 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.866 -0.606 . . . . 0.23999999999999999 110.718 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.42 -32.02 71.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.944 -0.571 . . . . 0.77000000000000002 111.878 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.3 m -87.22 2.74 49.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.816 0.341 . . . . 1.22 111.505 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 81.73 15.25 76.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.856 -0.688 . . . . 0.54000000000000004 113.19 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.541 ' HB3' HD13 ' A' ' 522' ' ' ILE . 52.7 m-85 -85.49 -52.52 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.091 0.472 . . . . 0.56000000000000005 110.41 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 69.2 t -112.32 151.47 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.519 -0.764 . . . . 0.17000000000000001 110.649 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 43.5 t -86.02 139.14 31.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.285 -0.635 . . . . 0.42999999999999999 109.285 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' GLU . . . . . 0.444 ' HB2' HG11 ' A' ' 541' ' ' VAL . 11.2 tp10 -60.45 -26.75 66.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.748 -0.66 . . . . 2.7200000000000002 111.396 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.26 -16.15 80.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.764 -0.732 . . . . 0.32000000000000001 112.616 177.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -113.15 15.35 19.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.164 0.507 . . . . 1.23 110.122 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -58.5 -46.16 87.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.456 -0.793 . . . . 0.23999999999999999 110.995 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -57.68 -46.33 84.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 2.8999999999999999 110.924 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 37.4 m -58.59 -43.01 89.37 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.348 -0.842 . . . . 0.34999999999999998 111.317 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.587 ' O ' HG13 ' A' ' 558' ' ' ILE . 23.0 mmt -70.73 -46.88 62.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.344 -0.389 . . . . 0.14000000000000001 110.923 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.0 80.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.17000000000000001 110.89 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 6.9 tmtm? -64.87 -43.39 93.11 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.196 -0.668 . . . . 1.8300000000000001 109.196 176.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.566 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -57.58 -46.04 84.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.17999999999999999 110.381 176.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 554' ' ' MET . 62.2 mt -60.91 -49.03 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.203 -0.908 . . . . 0.17999999999999999 109.991 177.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -62.97 -39.72 95.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.818 -0.628 . . . . 2.2000000000000002 111.009 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -59.7 -44.81 93.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.849 0.357 . . . . 1.03 110.221 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 561' ' ' ARG . 8.3 tpt180 -69.62 -46.74 65.53 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.087 -0.506 . . . . 1.5700000000000001 110.473 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 558' ' ' ILE . 99.5 t -62.07 -36.53 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.23999999999999999 111.291 -177.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 14.3 t -62.33 -40.71 97.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.148 0.499 . . . . 0.83999999999999997 110.094 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 90.9 mt -67.86 -41.38 82.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.719 . . . . 1.7 110.513 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.518 HD13 ' CD1' ' A' ' 500' ' ' ILE . 94.9 mt -63.72 -45.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.197 -0.911 . . . . 0.57999999999999996 111.144 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 88.1 mttt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.88 111.664 -179.698 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 111.368 -0.693 . . . . 0.57999999999999996 111.368 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.545 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -151.74 155.26 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 C-N-CA 123.353 0.661 . . . . 0.35999999999999999 110.083 -175.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.405 ' HD2' ' H ' ' A' ' 487' ' ' VAL . 26.1 tpt180 -155.37 138.39 15.48 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.286 0.565 . . . . 2.96 110.968 176.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 59.9 t -114.6 126.92 72.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.264 -0.88 . . . . 0.23000000000000001 110.573 -175.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -128.7 152.04 48.85 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.428 -0.805 . . . . 2.0099999999999998 111.226 -174.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.57 HD23 ' CD1' ' A' ' 502' ' ' LEU . 46.2 mt -72.89 139.89 47.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.669 -0.696 . . . . 0.37 110.123 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.453 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -82.04 -23.87 35.64 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.379 0.609 . . . . 0.42999999999999999 109.661 174.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 -169.93 2.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.286 -0.87 . . . . 2.02 110.535 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.98 108.95 20.03 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.912 -0.586 . . . . 2.3599999999999999 110.594 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 493' ' ' ASP . . . . . 0.496 ' HB3' HD13 ' A' ' 489' ' ' LEU . 22.4 t70 . . . . . 0 C--N 1.321 -0.65 0 C-N-CA 120.57 -0.452 . . . . 1.3700000000000001 111.364 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 32.7 mm . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 121.213 0.53 . . . . 0.68000000000000005 109.816 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -131.86 118.05 19.33 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.346 0.593 . . . . 0.45000000000000001 110.826 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.578 ' CD1' HD13 ' A' ' 565' ' ' ILE . 11.1 pt -117.82 -171.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.109 -0.95 . . . . 0.31 110.277 -175.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 7.8 ttpm? -141.74 108.37 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.885 0.374 . . . . 1.8100000000000001 111.087 179.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.57 ' CD1' HD23 ' A' ' 489' ' ' LEU . 1.9 mm? -95.63 167.21 11.43 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.321 0.582 . . . . 0.59999999999999998 111.661 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.727 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.4 m95 -123.19 120.68 33.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.028 -0.987 . . . . 0.34000000000000002 109.286 165.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.566 ' HB3' ' HB ' ' A' ' 522' ' ' ILE . 50.9 tp -83.09 104.31 13.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.444 -0.344 . . . . 0.28999999999999998 110.49 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.445 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 41.3 mtm105 -90.17 132.36 35.51 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.26 -0.427 . . . . 3.3300000000000001 110.469 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.605 HG21 HG22 ' A' ' 509' ' ' ILE . 16.6 mm -87.73 113.64 25.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.428 -0.582 . . . . 0.51000000000000001 109.428 175.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.11 -54.1 5.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.13 -0.486 . . . . 1.52 111.047 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -129.25 99.74 5.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.947 -0.569 . . . . 0.70999999999999996 110.27 -175.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.605 HG22 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -75.26 -10.34 13.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.519 -0.764 . . . . 0.70999999999999996 111.838 -176.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -81.87 -14.57 56.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.185 -0.461 . . . . 3.1499999999999999 110.817 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -27.57 27.15 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.437 0.637 . . . . 3.1899999999999999 109.399 177.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 41.7 mt -87.35 156.88 19.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.357 -0.838 . . . . 0.57999999999999996 110.105 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -99.09 -11.45 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.313 -0.403 . . . . 3.2999999999999998 110.854 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -80.52 -162.68 27.55 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.044 -0.598 . . . . 0.95999999999999996 112.449 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 515' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 515' ' ' LYS . 0.2 OUTLIER -116.9 102.7 9.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.553 -0.536 . . . . 3.5299999999999998 109.553 178.599 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -130.91 173.59 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 0.72999999999999998 111.366 -174.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 519' ' ' ASN . 81.5 mttt -115.24 137.62 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.314 -0.857 . . . . 1.98 108.954 176.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -79.12 35.96 0.27 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.746 0.784 . . . . 2.29 111.246 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 517' ' ' LYS . 8.5 p30 -161.68 25.5 0.12 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.897 -1.047 . . . . 2.5600000000000001 109.646 178.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -102.69 141.85 34.81 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.956 -0.566 . . . . 1.52 110.286 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -132.4 124.03 27.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.605 -0.725 . . . . 0.42999999999999999 110.531 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.601 HD13 ' HB3' ' A' ' 545' ' ' TYR . 97.4 mt -102.63 105.29 17.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.102 -0.954 . . . . 0.39000000000000001 110.738 -177.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.727 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 20.6 tt0 -74.78 126.1 30.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.957 -0.565 . . . . 0.59999999999999998 110.876 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 524' ' ' PHE . . . . . 0.456 ' CD2' HG11 ' A' ' 536' ' ' VAL . 43.7 p90 -145.97 141.95 28.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.764 0.316 . . . . 0.23999999999999999 110.412 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 62.8 p -84.81 143.54 29.03 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.736 -0.468 . . . . 1.24 109.736 177.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 526' ' ' PHE . . . . . 0.485 ' CD1' HD23 ' A' ' 528' ' ' LEU . 19.6 t80 -126.82 112.7 15.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.172 -0.611 . . . . 0.27000000000000002 110.571 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 527' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 531' ' ' ASP . 9.4 t70 -84.94 108.2 17.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.502 -0.925 . . . . 0.57999999999999996 108.502 172.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.485 HD23 ' CD1' ' A' ' 526' ' ' PHE . 63.8 mt -67.67 -9.74 46.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.161 -0.472 . . . . 0.51000000000000001 112.137 -172.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -106.96 -42.4 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.794 0.331 . . . . 2.1800000000000002 110.965 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -89.63 -51.86 5.3 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.0 0.371 . . . . 4.0999999999999996 112.0 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 531' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 4.1 m-20 -70.01 156.21 39.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.738 0.78 . . . . 0.60999999999999999 112.0 -173.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 76.4 t -131.11 137.79 31.47 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 114.671 -1.149 . . . . 0.28000000000000003 108.88 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -53.03 -49.46 17.51 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.213 1.942 . . . . 0.23999999999999999 112.161 -176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.33 -30.62 71.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.853 -0.612 . . . . 2.3399999999999999 111.363 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 26.8 t70 -70.12 -46.53 64.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.149 0.5 . . . . 1.0900000000000001 110.04 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 524' ' ' PHE . 93.8 t -60.34 -42.32 90.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.28000000000000003 110.238 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.35 -27.77 69.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.17000000000000001 110.823 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.493 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 48.9 mm-40 -69.46 -45.78 68.26 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 110.067 -0.346 . . . . 1.0800000000000001 110.067 174.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 539' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 50.7 mm-40 -57.88 -40.59 80.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.257 0.551 . . . . 2.0699999999999998 109.734 175.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.441 ' HB3' HG23 ' A' ' 546' ' ' VAL . 54.0 mtt -55.4 -41.59 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.268 -0.878 . . . . 0.25 110.925 177.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.648 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 65.1 t -67.08 -50.97 58.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.897 -0.592 . . . . 0.23999999999999999 110.849 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.77 -28.25 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.77000000000000002 111.673 -177.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 543' ' ' SER . . . . . 0.449 ' HB2' ' CD2' ' A' ' 545' ' ' TYR . 17.6 m -84.59 -14.45 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.809 0.338 . . . . 1.22 111.239 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.53 7.74 56.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.54000000000000004 113.078 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.601 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.7 m-85 -78.8 -52.0 8.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.124 0.488 . . . . 0.56000000000000005 110.376 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 95.4 t -116.61 151.75 18.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.438 -0.801 . . . . 0.17000000000000001 110.642 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.85 143.09 26.61 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.685 -0.857 . . . . 0.42999999999999999 108.685 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 548' ' ' GLU . . . . . 0.435 ' HB3' HG11 ' A' ' 541' ' ' VAL . 12.3 pt-20 -64.0 -14.4 53.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 2.7200000000000002 112.184 -173.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -81.05 -18.42 69.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.32000000000000001 112.286 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -113.93 22.32 14.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.55 0.69 . . . . 1.23 109.778 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 551' ' ' HIS . . . . . 0.493 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 16.6 t-80 -61.31 -50.78 71.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.128 -0.942 . . . . 0.23999999999999999 111.895 -175.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -68.6 -30.62 69.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.61 0.243 . . . . 2.8999999999999999 111.143 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 84.3 m -59.41 -48.61 80.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.965 -0.561 . . . . 0.34999999999999998 110.772 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.568 ' O ' HG13 ' A' ' 558' ' ' ILE . 25.3 mmt -66.0 -44.2 85.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.665 -0.698 . . . . 0.14000000000000001 110.59 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.58 73.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.596 -0.729 . . . . 0.17000000000000001 111.278 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -65.64 -41.95 92.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.942 0.401 . . . . 1.8300000000000001 109.954 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.545 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.97 -44.81 96.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.776 -0.647 . . . . 0.17999999999999999 110.297 176.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 554' ' ' MET . 57.0 mt -63.03 -49.38 83.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.314 -0.857 . . . . 0.17999999999999999 110.314 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -64.51 -33.33 75.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.915 -0.584 . . . . 2.2000000000000002 111.022 -175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.5 -44.84 93.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 1.03 110.846 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' A' ' 565' ' ' ILE . 13.0 tpt180 -68.58 -45.16 72.79 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.172 -0.467 . . . . 1.5700000000000001 109.87 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 558' ' ' ILE . 76.0 t -61.92 -33.66 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.508 -0.769 . . . . 0.23999999999999999 111.373 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 13.3 t -61.95 -43.81 98.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.961 0.41 . . . . 0.83999999999999997 110.516 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.33 -43.49 85.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.331 0.586 . . . . 1.7 110.006 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.578 HD13 ' CD1' ' A' ' 500' ' ' ILE . 84.7 mt -60.36 -47.92 90.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.04 -0.982 . . . . 0.57999999999999996 111.701 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.944 -0.571 . . . . 0.88 111.526 -179.846 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.566 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.388 0 CA-C-O 120.244 -0.198 . . . . 0.57999999999999996 113.489 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.603 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -156.91 158.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 122.501 0.32 . . . . 0.35999999999999999 110.583 178.698 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -164.37 139.1 5.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.798 -0.637 . . . . 2.96 110.016 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.588 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 49.2 t -111.92 144.97 18.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.188 -0.46 . . . . 0.23000000000000001 110.863 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -133.74 165.13 25.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.963 -0.562 . . . . 2.0099999999999998 110.876 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.56 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 93.8 mt -85.5 129.04 34.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.466 -0.788 . . . . 0.37 110.855 -178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -76.67 -13.57 60.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.743 0.782 . . . . 0.42999999999999999 109.961 174.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.56 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 11.1 pt-20 -139.29 163.33 32.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.456 -1.247 . . . . 2.02 108.569 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -81.57 115.41 20.85 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.542 -0.54 . . . . 2.3599999999999999 109.542 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.181 -0.463 . . . . 1.3700000000000001 110.992 -176.867 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 33.0 mm . . . . . 0 CA--C 1.514 -0.419 0 CA-C-O 121.347 0.594 . . . . 0.68000000000000005 110.413 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 499' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -107.77 123.76 49.03 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.451 -0.795 . . . . 0.45000000000000001 110.644 -178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 16.5 pt -120.48 -176.41 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.31 111.038 -175.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 490' ' ' ALA . 11.3 tptm -125.37 114.93 19.53 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.084 -0.507 . . . . 1.8100000000000001 109.665 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.588 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 48.0 mt -115.45 156.72 25.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.985 -0.552 . . . . 0.59999999999999998 111.089 -176.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.684 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.4 m95 -121.94 124.03 43.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.894 -0.409 . . . . 0.34000000000000002 109.894 170.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 56.7 tp -83.51 96.24 8.54 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.074 0.464 . . . . 0.28999999999999998 110.328 176.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -87.65 119.73 28.26 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.537 -0.756 . . . . 3.3300000000000001 110.55 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.492 HG21 HG22 ' A' ' 509' ' ' ILE . 12.7 mm -79.96 124.69 38.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.752 -0.658 . . . . 0.51000000000000001 110.087 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.566 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 18.5 mm-40 -92.73 -45.3 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.071 -0.513 . . . . 1.52 111.836 -175.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -137.29 96.45 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.283 0.563 . . . . 0.70999999999999996 110.557 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.492 HG22 HG21 ' A' ' 506' ' ' ILE . 2.7 pp -75.98 -13.11 14.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.664 -0.698 . . . . 0.70999999999999996 112.022 -177.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -75.35 -17.63 60.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.874 0.369 . . . . 3.1499999999999999 110.837 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 4.8 mmmp? -85.07 -18.84 33.08 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.113 0.482 . . . . 3.1899999999999999 111.116 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 19.1 mt -91.49 149.79 21.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.738 -0.664 . . . . 0.57999999999999996 110.917 -173.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -107.54 54.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.272 0.558 . . . . 3.2999999999999998 110.558 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.21 -171.85 26.66 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.706 -0.679 . . . . 0.95999999999999996 111.516 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -92.4 103.77 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.09 0.471 . . . . 3.5299999999999998 110.762 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -135.76 170.19 16.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.72999999999999998 110.055 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 519' ' ' ASN . 49.5 mtmt -125.69 151.47 46.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.001 -0.545 . . . . 1.98 109.804 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -80.73 31.5 0.3 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.536 0.684 . . . . 2.29 111.218 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 517' ' ' LYS . 26.9 p-10 -159.97 23.78 0.17 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.031 -0.986 . . . . 2.5600000000000001 109.746 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.0 140.13 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.665 . . . . 1.52 110.534 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.634 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -143.14 113.3 7.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.578 -0.737 . . . . 0.42999999999999999 110.285 177.303 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.536 HD13 ' HB3' ' A' ' 545' ' ' TYR . 68.3 mt -92.79 105.17 16.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 114.748 -1.114 . . . . 0.39000000000000001 110.858 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.1 tt0 -73.43 126.43 30.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.948 -0.569 . . . . 0.59999999999999998 110.428 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 524' ' ' PHE . . . . . 0.474 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 47.6 p90 -144.43 143.97 31.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.839 0.352 . . . . 0.23999999999999999 110.437 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.5 p -86.67 136.46 33.02 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.823 -0.436 . . . . 1.24 109.823 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 526' ' ' PHE . . . . . 0.445 ' CD2' HD23 ' A' ' 528' ' ' LEU . 31.9 t80 -125.81 116.43 21.57 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.529 -0.469 . . . . 0.27000000000000002 111.156 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.31 106.08 13.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.077 -1.083 . . . . 0.57999999999999996 108.077 170.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.445 HD23 ' CD2' ' A' ' 526' ' ' PHE . 78.7 mt -62.32 -15.44 48.05 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.035 0.754 . . . . 0.51000000000000001 113.035 -170.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -106.84 -43.83 4.58 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.964 -0.294 . . . . 2.1800000000000002 111.429 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -81.57 -52.0 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.831 0.308 . . . . 4.0999999999999996 111.831 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -75.28 146.51 40.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.448 0.642 . . . . 0.60999999999999999 111.61 -171.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 73.3 t -116.82 137.83 24.1 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.018 -0.992 . . . . 0.28000000000000003 109.316 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -51.03 -46.61 29.94 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.801 2.334 . . . . 0.23999999999999999 112.077 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -61.42 -36.77 81.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.911 -0.586 . . . . 2.3399999999999999 111.202 176.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.84 -46.37 75.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.285 0.564 . . . . 1.0900000000000001 110.127 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.11 -40.14 87.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.253 -0.885 . . . . 0.28000000000000003 111.071 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.87 -28.27 69.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.539 -0.301 . . . . 0.17000000000000001 110.782 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -68.85 -41.02 79.04 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.211 -0.292 . . . . 1.0800000000000001 110.211 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -58.91 -43.47 91.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.197 -0.668 . . . . 2.0699999999999998 109.197 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.448 ' HB3' HG23 ' A' ' 546' ' ' VAL . 56.1 mtt -55.45 -45.35 76.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.097 -0.956 . . . . 0.25 111.089 176.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 537' ' ' ALA . 98.7 t -63.16 -50.87 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.483 -0.78 . . . . 0.23999999999999999 111.007 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.5 -36.35 83.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.77000000000000002 111.548 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 32.2 m -72.94 -16.92 61.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.428 -0.351 . . . . 1.22 111.527 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 99.22 14.4 36.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.548 -0.834 . . . . 0.54000000000000004 112.971 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.536 ' HB3' HD13 ' A' ' 522' ' ' ILE . 63.9 m-85 -86.88 -46.94 9.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.302 0.572 . . . . 0.56000000000000005 110.481 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 94.1 t -118.58 146.64 22.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.186 -0.915 . . . . 0.17000000000000001 110.56 -173.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.433 ' O ' HG12 ' A' ' 546' ' ' VAL . 42.4 t -82.78 140.46 32.98 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.253 -1.017 . . . . 0.42999999999999999 108.253 172.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 548' ' ' GLU . . . . . 0.462 ' HB2' HG11 ' A' ' 541' ' ' VAL . 40.4 tt0 -63.27 -17.53 62.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.379 . . . . 2.7200000000000002 111.502 -172.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.17 -13.26 82.22 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.725 -0.75 . . . . 0.32000000000000001 112.381 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -106.06 12.58 30.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.718 -0.475 . . . . 1.23 109.718 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -53.82 -49.75 67.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.242 -0.89 . . . . 0.23999999999999999 111.637 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -63.93 -39.74 94.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.687 -0.233 . . . . 2.8999999999999999 111.156 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 26.5 m -60.61 -45.25 94.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.037 0.446 . . . . 0.34999999999999998 110.944 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.568 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.8 mmt -69.93 -44.94 68.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.863 -0.608 . . . . 0.14000000000000001 110.664 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.61 78.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.589 -0.732 . . . . 0.17000000000000001 110.375 177.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -67.45 -36.99 82.27 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.677 -0.692 . . . . 1.8300000000000001 110.605 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.603 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -63.24 -46.44 86.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.44 0.638 . . . . 0.17999999999999999 110.321 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 562' ' ' VAL . 76.9 mt -61.01 -50.09 82.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.082 -0.963 . . . . 0.17999999999999999 110.371 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -64.86 -29.61 70.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.544 . . . . 2.2000000000000002 110.381 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 560' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 557' ' ' ALA . 21.1 t70 -59.63 -59.0 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 1.03 110.486 176.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 561' ' ' ARG . 18.3 tpt180 -64.34 -43.74 93.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.666 -0.243 . . . . 1.5700000000000001 111.343 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 558' ' ' ILE . 84.8 t -60.48 -33.45 54.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.334 -0.394 . . . . 0.23999999999999999 111.352 -177.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 27.2 t -57.33 -55.49 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.125 -0.324 . . . . 0.83999999999999997 110.125 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.403 ' H ' HD12 ' A' ' 564' ' ' LEU . 8.0 mp -53.47 -45.09 69.42 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 121.059 0.457 . . . . 1.7 111.564 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.16 -51.21 75.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.626 -0.716 . . . . 0.57999999999999996 111.174 -178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.154 -0.475 . . . . 0.88 110.992 178.797 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.086 0 N-CA-C 112.745 -0.142 . . . . 0.57999999999999996 112.745 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.511 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -154.8 165.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 122.947 0.499 . . . . 0.35999999999999999 110.475 -178.673 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.515 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 16.2 tpp180 -169.47 138.02 1.9 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.608 -0.723 . . . . 2.96 109.544 176.249 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 44.4 t -107.77 139.96 27.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-O 121.07 0.462 . . . . 0.23000000000000001 111.47 -176.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -124.67 155.04 39.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.539 -0.755 . . . . 2.0099999999999998 110.39 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.592 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 76.5 mt -79.14 127.41 31.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.69 . . . . 0.37 110.03 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.565 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -72.42 -22.98 61.02 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.838 -0.801 . . . . 0.42999999999999999 108.838 172.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 491' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 15.3 pt-20 -140.66 139.53 34.82 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.164 -1.38 . . . . 2.02 108.064 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -72.71 130.5 40.66 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.221 0.534 . . . . 2.3599999999999999 111.46 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 493' ' ' ASP . . . . . 0.411 ' H ' HD13 ' A' ' 489' ' ' LEU . 6.1 t0 . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.608 -0.724 . . . . 1.3700000000000001 111.071 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 CA--C 1.505 -0.768 0 CA-C-O 121.635 0.731 . . . . 0.68000000000000005 109.157 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -108.98 120.15 41.69 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.902 -1.044 . . . . 0.45000000000000001 110.146 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.0 pt -120.27 176.79 3.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.441 -0.8 . . . . 0.31 111.675 -171.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 490' ' ' ALA . 14.1 tppt? -119.36 116.72 26.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.121 -0.945 . . . . 1.8100000000000001 109.455 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.561 HD23 HD23 ' A' ' 489' ' ' LEU . 36.2 mt -117.12 153.17 33.25 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.459 -0.337 . . . . 0.59999999999999998 110.823 -178.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.674 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.4 m95 -119.18 123.34 44.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.676 -0.49 . . . . 0.34000000000000002 109.676 169.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.576 HD21 ' SD ' ' A' ' 554' ' ' MET . 53.3 tp -77.97 102.64 7.47 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.03 -0.532 . . . . 0.28999999999999998 109.923 175.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -87.84 126.32 34.96 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.955 -0.566 . . . . 3.3300000000000001 110.237 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.483 HG21 HG22 ' A' ' 509' ' ' ILE . 25.5 mm -90.49 115.51 29.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.083 -0.508 . . . . 0.51000000000000001 109.808 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -88.84 -50.59 6.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.823 -0.626 . . . . 1.52 111.608 -173.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -135.03 101.15 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.111 -0.495 . . . . 0.70999999999999996 109.823 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.483 HG22 HG21 ' A' ' 506' ' ' ILE . 2.1 pp -75.29 -11.26 14.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 0.70999999999999996 111.919 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -80.56 -9.32 59.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.465 0.65 . . . . 3.1499999999999999 110.109 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -89.96 -15.33 32.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.408 -0.815 . . . . 3.1899999999999999 109.2 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 32.1 mt -100.26 166.03 11.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.391 -0.822 . . . . 0.57999999999999996 111.103 -174.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -114.93 48.91 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.968 0.413 . . . . 3.2999999999999998 110.796 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.71 -169.37 23.89 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.828 -0.701 . . . . 0.95999999999999996 111.855 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -97.9 110.16 22.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.07 0.462 . . . . 3.5299999999999998 110.294 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 516' ' ' TYR . . . . . 0.474 ' HB2' ' CG2' ' A' ' 509' ' ' ILE . 34.1 m-85 -138.54 167.28 22.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.685 -0.689 . . . . 0.72999999999999998 109.566 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 519' ' ' ASN . 53.0 mtmt -111.91 143.79 42.3 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.369 -0.604 . . . . 1.98 109.369 173.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -78.68 36.6 0.27 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.244 0.545 . . . . 2.29 111.656 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 517' ' ' LYS . 67.0 t30 -167.18 28.25 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.199 -0.91 . . . . 2.5600000000000001 108.653 176.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.61 146.83 25.56 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.222 -0.899 . . . . 1.52 109.576 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -141.87 121.8 13.63 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.341 0.591 . . . . 0.42999999999999999 110.336 177.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.55 HD13 ' HB3' ' A' ' 545' ' ' TYR . 87.0 mt -103.19 106.24 19.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 114.989 -1.005 . . . . 0.39000000000000001 110.376 -177.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.674 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 19.3 tt0 -72.39 129.28 38.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.881 -0.599 . . . . 0.59999999999999998 110.539 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 524' ' ' PHE . . . . . 0.439 ' CD2' HG11 ' A' ' 536' ' ' VAL . 45.4 p90 -147.41 151.24 36.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 0.23999999999999999 110.082 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 7.1 m -92.29 144.26 25.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.42 -0.585 . . . . 1.24 109.42 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -135.38 115.22 12.98 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.029 -0.668 . . . . 0.27000000000000002 111.067 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.25 110.68 18.74 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.582 -0.896 . . . . 0.57999999999999996 108.582 171.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.94 -1.46 7.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.896 -0.593 . . . . 0.51000000000000001 112.372 -173.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -113.11 -23.73 9.84 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.277 -0.169 . . . . 2.1800000000000002 111.288 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -114.44 -49.92 2.81 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.752 0.649 . . . . 4.0999999999999996 112.752 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.72 151.9 46.53 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.529 0.68 . . . . 0.60999999999999999 112.546 -170.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 97.8 t -121.78 126.84 26.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 114.832 -1.076 . . . . 0.28000000000000003 109.181 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.434 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 64.2 Cg_exo -53.87 -41.21 76.61 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.544 2.829 . . . . 0.23999999999999999 113.855 -176.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.84 -26.16 61.37 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.779 -0.368 . . . . 2.3399999999999999 111.297 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.92 -42.12 67.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.322 0.582 . . . . 1.0900000000000001 109.585 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.439 HG11 ' CD2' ' A' ' 524' ' ' PHE . 89.6 t -64.49 -41.71 93.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.568 -0.742 . . . . 0.28000000000000003 110.532 176.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.48 -19.69 66.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.714 -0.395 . . . . 0.17000000000000001 110.612 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 1.5 mm-40 -73.61 -47.73 38.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.37 -0.377 . . . . 1.0800000000000001 110.494 175.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 539' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 536' ' ' VAL . 11.3 pt-20 -66.37 -27.19 67.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.065 0.46 . . . . 2.0699999999999998 109.884 178.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.433 ' HB3' HG23 ' A' ' 546' ' ' VAL . 53.1 mtt -58.16 -44.52 87.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.422 -0.808 . . . . 0.25 110.422 171.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 537' ' ' ALA . 69.6 t -70.04 -45.66 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.772 -0.649 . . . . 0.23999999999999999 110.699 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 542' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 56.9 mt-10 -59.79 -36.51 76.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.77000000000000002 111.298 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.8 m -85.18 1.09 49.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.388 -0.369 . . . . 1.22 111.499 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 87.4 -5.61 84.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.764 . . . . 0.54000000000000004 113.407 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.55 ' HB3' HD13 ' A' ' 522' ' ' ILE . 52.2 m-85 -63.36 -56.1 19.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.035 0.445 . . . . 0.56000000000000005 110.8 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 93.4 t -107.06 144.42 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.556 -0.747 . . . . 0.17000000000000001 110.789 -176.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.403 ' O ' HG12 ' A' ' 546' ' ' VAL . 35.5 t -76.57 143.85 40.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.495 -0.775 . . . . 0.42999999999999999 109.287 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -6.81 8.22 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.542 0.571 . . . . 2.7200000000000002 112.542 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -91.07 -11.41 61.44 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.013 -0.613 . . . . 0.32000000000000001 112.702 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 554' ' ' MET . 53.1 m-20 -115.52 19.18 15.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.883 0.373 . . . . 1.23 110.818 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -54.63 -54.08 46.3 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.834 -0.621 . . . . 0.23999999999999999 111.915 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -73.19 -29.75 63.05 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.093 -0.243 . . . . 2.8999999999999999 111.281 -175.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 99.2 m -61.71 -45.08 95.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.377 -0.374 . . . . 0.34999999999999998 110.658 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.576 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.5 mmt -68.14 -43.34 78.52 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.181 0.515 . . . . 0.14000000000000001 110.477 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.03 -35.2 77.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.381 -0.827 . . . . 0.17000000000000001 111.182 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 556' ' ' LYS . . . . . 0.552 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 2.6 tmtp? -65.39 -41.49 93.63 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.998 -0.741 . . . . 1.8300000000000001 108.998 178.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.511 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.7 -43.19 89.97 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.243 0.544 . . . . 0.17999999999999999 110.251 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 562' ' ' VAL . 62.9 mt -63.77 -50.72 76.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.219 -0.901 . . . . 0.17999999999999999 109.988 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -61.07 -40.01 92.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.724 . . . . 2.2000000000000002 110.843 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.57 -43.95 95.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 1.03 110.301 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -66.41 -48.5 69.86 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.131 -0.486 . . . . 1.5700000000000001 110.484 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 558' ' ' ILE . 91.8 t -59.78 -37.65 72.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.23999999999999999 111.248 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 23.0 t -59.67 -50.26 74.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.022 -0.362 . . . . 0.83999999999999997 110.022 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.05 -43.08 99.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 1.7 110.599 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.47 -54.48 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.574 -0.739 . . . . 0.57999999999999996 111.096 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.88 111.579 -178.023 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.407 ' C ' ' HB3' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.517 0.213 0 N-CA-C 113.564 0.185 . . . . 0.57999999999999996 113.564 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.638 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -154.18 163.48 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.633 0.254 . . . . 0.35999999999999999 110.67 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 487' ' ' VAL . 16.6 tpp85 -166.51 125.38 1.48 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 2.96 110.676 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.511 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 57.6 t -87.64 143.21 11.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.285 -0.87 . . . . 0.23000000000000001 110.567 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -120.28 160.49 22.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.991 0.424 . . . . 2.0099999999999998 110.7 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 502' ' ' LEU . 74.9 mt -83.77 131.1 34.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.437 -0.801 . . . . 0.37 110.082 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.6 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -74.66 -22.86 58.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.952 0.882 . . . . 0.42999999999999999 109.087 172.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -122.44 -171.23 2.23 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.06 -1.427 . . . . 2.02 108.629 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -110.13 133.37 53.28 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.926 -0.398 . . . . 2.3599999999999999 109.926 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 116.37 -0.377 . . . . 1.3700000000000001 110.544 178.967 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 22.2 mm . . . . . 0 N--CA 1.444 -0.762 0 CA-C-O 120.798 0.332 . . . . 0.68000000000000005 110.437 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -131.07 123.14 28.02 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.215 0.531 . . . . 0.45000000000000001 110.808 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.413 ' CD1' HD13 ' A' ' 565' ' ' ILE . 15.6 pt -125.01 179.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.725 -0.671 . . . . 0.31 111.559 -172.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -120.78 116.31 24.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.615 -0.72 . . . . 1.8100000000000001 109.793 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 489' ' ' LEU . 58.7 mt -112.88 159.47 19.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.887 -0.597 . . . . 0.59999999999999998 111.285 -176.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.732 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.2 m95 -126.45 120.06 28.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.79 -0.448 . . . . 0.34000000000000002 109.79 169.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 46.0 tp -75.3 99.74 4.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.271 -0.422 . . . . 0.28999999999999998 110.357 177.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.499 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 48.7 mtp180 -93.51 126.92 38.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.841 -0.618 . . . . 3.3300000000000001 110.852 177.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.525 ' HA ' HG12 ' A' ' 485' ' ' VAL . 20.2 mm -79.65 119.17 28.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.662 -0.496 . . . . 0.51000000000000001 109.662 177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.52 ' H ' ' HA ' ' A' ' 485' ' ' VAL . 18.2 tp10 -81.59 -48.69 11.44 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.542 -0.754 . . . . 1.52 110.238 -176.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 508' ' ' ASP . . . . . 0.486 ' OD1' ' HG3' ' A' ' 510' ' ' LYS . 11.8 t70 -130.96 108.49 9.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.21 -0.45 . . . . 0.70999999999999996 110.057 175.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.462 HG22 HG21 ' A' ' 506' ' ' ILE . 2.8 pp -75.6 -20.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.048 0.758 . . . . 0.70999999999999996 113.048 -174.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 510' ' ' LYS . . . . . 0.486 ' HG3' ' OD1' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -91.76 -15.45 28.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 3.1499999999999999 111.368 -174.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -70.76 -21.9 62.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.293 0.568 . . . . 3.1899999999999999 110.094 170.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.522 HD11 HG23 ' A' ' 506' ' ' ILE . 22.4 mt -85.43 160.62 19.7 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.249 -0.887 . . . . 0.57999999999999996 109.761 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -92.8 -15.33 26.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.365 0.602 . . . . 3.2999999999999998 109.466 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -87.54 -179.57 47.94 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 114.882 -1.053 . . . . 0.95999999999999996 112.055 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -108.94 109.75 20.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.833 0.349 . . . . 3.5299999999999998 110.245 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 516' ' ' TYR . . . . . 0.591 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 87.9 m-85 -132.48 156.71 46.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.894 0.378 . . . . 0.72999999999999998 110.54 -177.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -91.76 149.73 21.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.54 -0.754 . . . . 1.98 109.803 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -81.83 34.0 0.39 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.457 0.646 . . . . 2.29 111.975 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -161.07 24.29 0.13 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.05 -0.977 . . . . 2.5600000000000001 108.775 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 520' ' ' GLU . . . . . 0.468 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 7.1 tp10 -82.46 130.29 35.08 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.121 -0.945 . . . . 1.52 110.017 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -136.52 118.43 15.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.769 -0.65 . . . . 0.42999999999999999 110.711 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 545' ' ' TYR . 86.4 mt -101.1 107.21 20.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.247 -0.888 . . . . 0.39000000000000001 110.807 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.732 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 29.6 tt0 -71.3 132.31 44.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.004 0.431 . . . . 0.59999999999999998 111.055 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 524' ' ' PHE . . . . . 0.403 ' CD2' HG11 ' A' ' 536' ' ' VAL . 44.9 p90 -151.69 139.92 20.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.734 -0.666 . . . . 0.23999999999999999 109.651 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 10.0 p -83.48 143.62 30.11 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.57 -0.53 . . . . 1.24 109.57 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 526' ' ' PHE . . . . . 0.415 ' HD1' HD23 ' A' ' 528' ' ' LEU . 25.2 t80 -134.22 117.61 16.68 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.007 -0.677 . . . . 0.27000000000000002 111.314 -175.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.58 113.51 21.87 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.378 -0.971 . . . . 0.57999999999999996 108.378 170.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.415 HD23 ' HD1' ' A' ' 526' ' ' PHE . 58.4 mt -67.92 -10.66 55.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.932 -0.576 . . . . 0.51000000000000001 111.879 -172.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -103.42 -46.73 4.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.9 0.381 . . . . 2.1800000000000002 110.6 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -86.26 -54.08 4.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.581 0.586 . . . . 4.0999999999999996 112.581 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -67.19 147.32 53.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.446 0.641 . . . . 0.60999999999999999 112.052 -171.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 99.1 t -122.72 131.63 24.35 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.032 -0.985 . . . . 0.28000000000000003 109.196 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.403 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 84.7 Cg_exo -51.35 -37.47 60.76 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.855 3.037 . . . . 0.23999999999999999 113.685 -176.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.14 -33.54 61.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.583 0.23 . . . . 2.3399999999999999 111.286 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -66.09 -45.09 82.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.053 0.454 . . . . 1.0900000000000001 110.058 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.403 HG11 ' CD2' ' A' ' 524' ' ' PHE . 93.3 t -61.39 -42.06 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.56 -0.746 . . . . 0.28000000000000003 110.937 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.66 -24.33 67.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.17000000000000001 110.989 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.452 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 50.5 mm-40 -70.14 -43.88 70.03 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.844 0.354 . . . . 1.0800000000000001 110.192 174.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -59.47 -39.74 84.66 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.497 0.665 . . . . 2.0699999999999998 109.491 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.452 ' HB3' HG23 ' A' ' 546' ' ' VAL . 55.1 mtt -58.26 -41.93 85.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.851 -1.068 . . . . 0.25 111.393 177.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 537' ' ' ALA . 92.9 t -67.91 -42.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.891 -0.595 . . . . 0.23999999999999999 111.064 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.78 -45.24 93.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.77000000000000002 111.538 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 41.4 t -67.75 -22.23 65.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 1.22 111.112 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 106.9 -3.5 35.89 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.629 -0.796 . . . . 0.54000000000000004 112.464 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.574 ' HB3' HD13 ' A' ' 522' ' ' ILE . 53.2 m-85 -64.63 -61.85 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.458 . . . . 0.56000000000000005 110.957 178.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 94.3 t -103.0 142.38 17.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.937 -0.574 . . . . 0.17000000000000001 111.369 -174.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.66 138.87 37.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.16 -0.927 . . . . 0.42999999999999999 108.855 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 548' ' ' GLU . . . . . 0.57 ' CD ' ' H ' ' A' ' 548' ' ' GLU . 0.3 OUTLIER -67.65 -7.1 23.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.098 -0.501 . . . . 2.7200000000000002 111.342 -177.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.92 -12.45 82.65 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.939 -0.648 . . . . 0.32000000000000001 111.84 174.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -129.38 28.71 5.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.004 0.43 . . . . 1.23 110.889 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 551' ' ' HIS . . . . . 0.452 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 21.1 t-80 -58.39 -47.28 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.23999999999999999 109.935 176.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -65.57 -35.05 79.71 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.528 -0.76 . . . . 2.8999999999999999 110.939 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 553' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 512' ' ' LEU . 8.8 m -61.77 -49.22 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.34999999999999998 110.854 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.577 ' O ' HG13 ' A' ' 558' ' ' ILE . 23.1 mmt -67.92 -42.4 81.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.858 -0.61 . . . . 0.14000000000000001 110.756 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.4 74.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.844 -0.616 . . . . 0.17000000000000001 110.307 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -66.96 -35.8 80.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.887 -0.597 . . . . 1.8300000000000001 110.339 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.638 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -66.76 -43.96 82.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.309 0.576 . . . . 0.17999999999999999 110.221 175.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 554' ' ' MET . 58.2 mt -63.0 -53.01 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.921 -1.036 . . . . 0.17999999999999999 109.897 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 5.4 tmtt? -57.96 -44.93 87.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.484 -0.78 . . . . 2.2000000000000002 109.856 -178.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -51.82 -58.1 7.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.609 -0.723 . . . . 1.03 111.157 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 561' ' ' ARG . 10.5 tpp180 -60.94 -47.39 86.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.574 -0.285 . . . . 1.5700000000000001 111.292 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 558' ' ' ILE . 92.0 t -56.78 -32.29 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.23999999999999999 111.254 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 60.6 m -60.24 -52.96 63.08 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 122.062 0.145 . . . . 0.83999999999999997 110.632 175.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 7.9 mp -53.19 -48.43 68.06 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 120.841 0.353 . . . . 1.7 111.083 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.413 HD13 ' CD1' ' A' ' 500' ' ' ILE . 97.9 mt -57.49 -53.03 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.568 -0.742 . . . . 0.57999999999999996 111.628 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.479 -0.328 . . . . 0.88 111.04 179.833 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.403 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.203 0 N-CA-C 113.693 0.237 . . . . 0.57999999999999996 113.693 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.534 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -154.75 161.21 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.204 0.526 . . . . 0.35999999999999999 111.04 178.824 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.456 ' HD2' ' H ' ' A' ' 487' ' ' VAL . 12.1 tpt180 -161.56 133.86 5.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.023 -0.99 . . . . 2.96 109.856 175.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.456 ' H ' ' HD2' ' A' ' 486' ' ' ARG . 61.6 t -105.55 125.19 60.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.048 -0.524 . . . . 0.23000000000000001 110.927 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.419 ' HG3' ' NH1' ' A' ' 505' ' ' ARG . 11.7 mm-40 -115.58 160.93 19.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.237 -0.892 . . . . 2.0099999999999998 110.774 -176.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.419 HD23 HD23 ' A' ' 502' ' ' LEU . 22.8 mt -87.75 131.29 34.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.046 -0.524 . . . . 0.37 111.213 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -88.04 -4.53 58.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.306 0.574 . . . . 0.42999999999999999 110.324 177.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -146.24 -176.31 5.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.455 -0.793 . . . . 2.02 109.56 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.88 121.38 27.64 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.85 0.357 . . . . 2.3599999999999999 110.617 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 121.499 0.666 . . . . 1.3700000000000001 110.401 177.575 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 CA--C 1.513 -0.444 0 CA-C-O 121.465 0.65 . . . . 0.68000000000000005 110.244 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 499' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -105.75 127.38 53.05 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.389 -0.823 . . . . 0.45000000000000001 110.703 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.439 ' CD1' HD13 ' A' ' 565' ' ' ILE . 7.9 pt -123.71 179.02 2.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.479 -0.782 . . . . 0.31 110.991 -175.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 501' ' ' LYS . . . . . 0.457 ' HE2' ' HG2' ' A' ' 523' ' ' GLU . 18.7 tptm -127.01 123.4 36.98 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.853 -0.795 . . . . 1.8100000000000001 108.853 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.456 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 26.8 mt -122.94 167.67 13.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.472 -0.331 . . . . 0.59999999999999998 111.428 -174.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.676 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.6 m95 -128.97 124.62 35.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.492 . . . . 0.34000000000000002 109.813 169.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.603 HD21 ' SD ' ' A' ' 554' ' ' MET . 38.3 tp -82.64 98.0 8.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.893 -0.41 . . . . 0.28999999999999998 109.893 176.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.52 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 92.7 mtt180 -89.97 128.13 36.18 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.874 -0.603 . . . . 3.3300000000000001 110.164 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 512' ' ' LEU . 24.8 mm -85.69 114.41 25.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.968 -0.382 . . . . 0.51000000000000001 109.968 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.403 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.7 mm-40 -80.78 -30.48 36.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.19 -0.459 . . . . 1.52 110.941 -178.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -147.25 103.66 3.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.958 0.409 . . . . 0.70999999999999996 110.098 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.491 HG22 HG21 ' A' ' 506' ' ' ILE . 2.3 pp -74.8 -15.0 15.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.70999999999999996 111.3 -177.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -79.54 -27.81 41.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 3.1499999999999999 110.694 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -66.91 -25.56 66.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 3.1899999999999999 111.154 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.514 HD13 ' HE1' ' A' ' 554' ' ' MET . 23.0 mt -92.57 154.2 18.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.699 -0.682 . . . . 0.57999999999999996 111.477 -171.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -101.16 47.53 0.91 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 3.2999999999999998 110.199 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -145.56 -161.11 8.96 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.846 -0.692 . . . . 0.95999999999999996 112.184 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -114.07 97.32 6.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.695 0.283 . . . . 3.5299999999999998 110.516 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 516' ' ' TYR . . . . . 0.418 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 41.5 m-85 -133.14 142.32 48.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.851 0.358 . . . . 0.72999999999999998 110.168 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' A' ' 519' ' ' ASN . 1.6 ttpm? -89.26 148.75 23.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.476 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.22 37.71 0.07 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.188 0.518 . . . . 2.29 111.753 -178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 517' ' ' LYS . 25.0 t-20 177.15 60.65 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.615 -1.254 . . . . 2.5600000000000001 107.615 -178.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 520' ' ' GLU . . . . . 0.448 ' OE1' ' HB3' ' A' ' 517' ' ' LYS . 40.9 tt0 -139.71 132.12 28.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.624 -0.716 . . . . 1.52 110.732 -172.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -137.33 136.34 37.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.703 -0.681 . . . . 0.42999999999999999 110.215 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.532 HD13 ' HB3' ' A' ' 545' ' ' TYR . 94.5 mt -105.48 104.0 16.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.448 -0.796 . . . . 0.39000000000000001 111.033 -175.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.676 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.9 tt0 -69.53 125.47 26.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.203 -0.908 . . . . 0.59999999999999998 110.963 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -149.5 142.33 24.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.23999999999999999 110.067 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 525' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 13.4 p -84.57 150.12 25.42 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.077 -0.342 . . . . 1.24 110.077 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -137.77 122.58 18.8 Favored 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 120.292 -0.563 . . . . 0.27000000000000002 110.437 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 527' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 12.3 t70 -94.13 116.89 29.36 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.73 -0.841 . . . . 0.57999999999999996 108.73 174.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.12 -14.25 62.83 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 112.809 0.67 . . . . 0.51000000000000001 112.809 -170.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -112.67 -31.64 6.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.293 -0.563 . . . . 2.1800000000000002 111.825 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -86.57 -47.98 8.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.824 0.345 . . . . 4.0999999999999996 111.765 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -86.26 151.92 23.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.41 0.624 . . . . 0.60999999999999999 112.187 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 536' ' ' VAL . 76.6 t -124.98 130.72 24.11 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.054 -0.975 . . . . 0.28000000000000003 109.842 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 86.9 Cg_exo -48.21 -50.88 11.09 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.712 2.274 . . . . 0.23999999999999999 113.332 -172.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -65.66 -37.27 86.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.32 . . . . 2.3399999999999999 111.551 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 14.9 t70 -63.18 -39.74 95.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.504 0.668 . . . . 1.0900000000000001 109.873 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 532' ' ' VAL . 94.3 t -71.77 -37.53 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.068 -0.969 . . . . 0.28000000000000003 111.289 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.72 -22.97 66.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.815 -0.354 . . . . 0.17000000000000001 110.262 176.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 11.5 mm100 -70.76 -44.35 66.93 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.671 -0.492 . . . . 1.0800000000000001 109.671 172.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 539' ' ' GLU . . . . . 0.466 ' HG3' ' HA ' ' A' ' 536' ' ' VAL . 20.2 mt-10 -57.45 -41.67 80.98 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.028 -0.73 . . . . 2.0699999999999998 109.028 175.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.454 ' HB3' HG23 ' A' ' 546' ' ' VAL . 50.4 mtt -55.49 -44.54 76.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.155 -0.929 . . . . 0.25 111.196 177.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 537' ' ' ALA . 52.1 t -66.76 -46.02 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.317 -0.402 . . . . 0.23999999999999999 110.479 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 542' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 45.5 mt-10 -65.22 -36.2 83.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.529 . . . . 0.77000000000000002 111.762 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.8 m -74.98 -12.1 60.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 1.22 111.412 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 91.26 23.93 28.06 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.69 -0.766 . . . . 0.54000000000000004 112.506 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.532 ' HB3' HD13 ' A' ' 522' ' ' ILE . 39.0 m-85 -93.12 -55.18 3.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.178 0.513 . . . . 0.56000000000000005 110.815 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 98.5 t -112.53 146.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.554 -0.748 . . . . 0.17000000000000001 111.219 -172.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 44.4 t -78.6 136.99 37.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.035 -0.728 . . . . 0.42999999999999999 109.035 173.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.6 -22.09 55.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.941 -0.572 . . . . 2.7200000000000002 111.703 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -68.84 -25.86 74.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.065 -0.588 . . . . 0.32000000000000001 112.495 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -114.43 30.04 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.118 0.485 . . . . 1.23 111.107 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -56.82 -46.35 81.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.62 -0.718 . . . . 0.23999999999999999 110.453 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -67.28 -35.43 79.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 2.8999999999999999 110.813 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 11.3 m -59.44 -50.36 74.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.634 -0.712 . . . . 0.34999999999999998 110.769 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.603 ' SD ' HD21 ' A' ' 504' ' ' LEU . 23.4 mmt -68.82 -45.21 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.864 -0.607 . . . . 0.14000000000000001 110.675 -177.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.44 -31.6 71.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.533 -0.758 . . . . 0.17000000000000001 111.024 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 556' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 5.1 tmtm? -64.52 -45.65 86.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.023 -0.732 . . . . 1.8300000000000001 109.023 177.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.534 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.6 -43.66 97.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.735 -0.666 . . . . 0.17999999999999999 110.489 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 562' ' ' VAL . 54.8 mt -62.85 -50.68 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.416 -0.811 . . . . 0.17999999999999999 109.659 178.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 559' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 2.9 tmtp? -61.5 -48.03 82.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.535 -0.757 . . . . 2.2000000000000002 110.403 -176.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 29.7 t70 -55.09 -45.6 75.45 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.364 -0.38 . . . . 1.03 111.1 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' A' ' 561' ' ' ARG . 0.4 OUTLIER -70.21 -44.7 68.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.083 -0.508 . . . . 1.5700000000000001 110.948 179.372 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 558' ' ' ILE . 76.2 t -60.81 -36.32 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.23999999999999999 111.073 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.0 t -59.81 -43.1 94.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.42 . . . . 0.83999999999999997 110.159 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 71.6 mt -66.74 -44.13 82.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.542 0.687 . . . . 1.7 110.351 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.439 HD13 ' CD1' ' A' ' 500' ' ' ILE . 86.4 mt -60.23 -49.37 84.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.006 -0.997 . . . . 0.57999999999999996 111.401 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.873 -0.603 . . . . 0.88 111.552 179.883 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 112.347 -0.301 . . . . 0.57999999999999996 112.347 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 1.6 m -147.58 158.11 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 122.634 0.374 . . . . 0.35999999999999999 110.176 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -173.47 141.06 0.86 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.432 -0.804 . . . . 2.96 109.052 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.622 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 64.6 t -109.34 140.64 27.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 C-N-CA 120.822 -0.351 . . . . 0.23000000000000001 110.675 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.484 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 28.6 mt-10 -122.87 164.77 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 2.0099999999999998 110.583 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.542 HD23 HD23 ' A' ' 502' ' ' LEU . 92.3 mt -86.79 138.99 31.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.764 -0.653 . . . . 0.37 110.737 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.487 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -89.12 -12.99 39.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.785 0.802 . . . . 0.42999999999999999 109.506 174.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.89 -170.12 2.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.705 -1.134 . . . . 2.02 109.424 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -110.73 96.24 6.05 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.99 0.424 . . . . 2.3599999999999999 110.454 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 493' ' ' ASP . . . . . 0.416 ' H ' HD13 ' A' ' 489' ' ' LEU . 27.3 t70 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.883 -0.599 . . . . 1.3700000000000001 110.904 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 108.809 -0.811 . . . . 0.68000000000000005 108.809 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 499' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -128.94 122.85 31.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.087 -0.96 . . . . 0.45000000000000001 110.214 178.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 502' ' ' LEU . 12.6 pt -112.75 177.39 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.739 -0.664 . . . . 0.31 110.954 -175.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -127.48 112.96 15.54 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.992 -0.744 . . . . 1.8100000000000001 108.992 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.622 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 42.5 mt -115.79 162.54 17.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.342 -0.39 . . . . 0.59999999999999998 111.542 -173.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.632 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.3 m95 -125.05 121.51 34.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.495 -0.557 . . . . 0.34000000000000002 109.495 168.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 23.7 tp -74.27 107.89 6.72 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.735 -0.469 . . . . 0.28999999999999998 109.735 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -98.45 130.11 45.06 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.161 -0.472 . . . . 3.3300000000000001 110.849 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.618 HG21 HG22 ' A' ' 509' ' ' ILE . 26.0 mm -93.31 112.15 25.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.095 -0.502 . . . . 0.51000000000000001 109.837 177.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -81.97 -53.49 6.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.034 -0.53 . . . . 1.52 110.869 -177.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -128.62 103.77 7.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.954 -0.566 . . . . 0.70999999999999996 109.71 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.618 HG22 HG21 ' A' ' 506' ' ' ILE . 2.2 pp -74.72 -18.85 16.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.70999999999999996 111.488 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.12 -25.14 59.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.257 -0.429 . . . . 3.1499999999999999 110.79 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -19.15 61.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.184 -0.462 . . . . 3.1899999999999999 110.679 176.52 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.463 HD11 HG23 ' A' ' 506' ' ' ILE . 29.2 mt -99.94 149.29 23.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.97 -0.559 . . . . 0.57999999999999996 110.676 -176.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -97.54 75.85 2.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.473 -0.566 . . . . 3.2999999999999998 109.473 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -169.56 -151.44 7.33 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.798 -0.715 . . . . 0.95999999999999996 111.841 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -132.0 103.41 6.27 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.597 -0.52 . . . . 3.5299999999999998 109.597 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -138.32 155.46 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.007 -0.542 . . . . 0.72999999999999998 110.512 -173.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 517' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 519' ' ' ASN . 87.2 mttt -89.37 147.29 24.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.349 -0.611 . . . . 1.98 109.349 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.64 26.12 0.32 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.892 0.853 . . . . 2.29 111.25 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 519' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 517' ' ' LYS . 28.5 p-10 -160.43 24.06 0.16 Allowed 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.464 -1.244 . . . . 2.5600000000000001 108.738 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 520' ' ' GLU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 33.9 tt0 -81.31 133.44 35.43 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.275 -0.875 . . . . 1.52 110.133 -174.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -133.44 118.85 18.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.794 -0.639 . . . . 0.42999999999999999 110.506 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.566 HD13 ' HB3' ' A' ' 545' ' ' TYR . 95.5 mt -102.52 105.1 17.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.208 -0.905 . . . . 0.39000000000000001 110.554 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.632 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.1 tt0 -69.08 129.7 40.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.68 -0.691 . . . . 0.59999999999999998 111.331 -178.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -153.06 140.9 20.12 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.582 -0.525 . . . . 0.23999999999999999 109.582 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 19.7 m -88.28 145.27 25.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.849 -0.426 . . . . 1.24 109.849 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -131.7 114.83 15.25 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.892 -0.323 . . . . 0.27000000000000002 110.499 -175.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 527' ' ' ASP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.0 t70 -81.1 114.42 19.93 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.642 -0.873 . . . . 0.57999999999999996 108.642 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.98 -18.69 64.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.11 -0.496 . . . . 0.51000000000000001 111.642 -173.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.48 -40.85 5.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.167 -0.47 . . . . 2.1800000000000002 111.228 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 530' ' ' ARG . . . . . 0.552 ' HA ' ' NE ' ' A' ' 530' ' ' ARG . 3.0 mmp_? -93.52 -40.47 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.247 0.832 . . . . 4.0999999999999996 113.247 -177.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.97 152.82 30.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.357 0.599 . . . . 0.60999999999999999 111.825 -174.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.484 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 83.4 t -125.79 133.71 25.17 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.303 -0.862 . . . . 0.28000000000000003 109.449 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 533' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 44.8 Cg_exo -56.99 -38.54 95.79 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.343 2.696 . . . . 0.23999999999999999 113.007 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -78.42 -24.04 46.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.134 -0.485 . . . . 2.3399999999999999 110.932 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.484 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 8.2 t70 -73.18 -44.77 59.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.423 0.63 . . . . 1.0900000000000001 109.58 178.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.17 -40.87 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.359 -0.837 . . . . 0.28000000000000003 110.903 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.644 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.94 -24.72 67.61 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.868 -0.333 . . . . 0.17000000000000001 110.895 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 70.3 mm-40 -66.45 -45.69 78.94 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.953 0.406 . . . . 1.0800000000000001 110.02 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -59.83 -41.53 91.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.713 -0.676 . . . . 2.0699999999999998 109.64 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.51 ' SD ' HD22 ' A' ' 504' ' ' LEU . 53.4 mtt -56.4 -43.18 79.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.177 -0.92 . . . . 0.25 110.968 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 537' ' ' ALA . 95.3 t -68.18 -50.54 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.855 -0.611 . . . . 0.23999999999999999 110.925 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.01 -36.01 82.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.782 0.325 . . . . 0.77000000000000002 111.385 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 19.3 t -72.49 -16.34 61.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.198 -0.456 . . . . 1.22 111.133 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 99.59 1.36 56.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.749 . . . . 0.54000000000000004 112.652 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.566 ' HB3' HD13 ' A' ' 522' ' ' ILE . 41.0 m-85 -73.12 -43.61 61.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.023 0.44 . . . . 0.56000000000000005 111.034 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 90.1 t -121.23 148.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.895 -0.593 . . . . 0.17000000000000001 110.764 -175.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 40.8 t -87.8 134.9 33.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.482 -0.932 . . . . 0.42999999999999999 108.482 173.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' GLU . . . . . 0.499 ' HB2' HG11 ' A' ' 541' ' ' VAL . 31.4 tt0 -60.62 -20.41 60.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.961 -0.563 . . . . 2.7200000000000002 111.316 -174.173 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -65.99 -19.91 68.25 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.051 -0.595 . . . . 0.32000000000000001 112.069 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.97 27.91 7.46 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.848 0.356 . . . . 1.23 111.39 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -55.15 -49.5 71.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.23999999999999999 109.98 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -62.71 -37.42 86.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 2.8999999999999999 111.041 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 19.1 m -60.59 -47.52 85.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.34999999999999998 110.845 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.598 ' O ' HG13 ' A' ' 558' ' ' ILE . 25.0 mmt -70.28 -45.48 66.26 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.917 -0.583 . . . . 0.14000000000000001 110.757 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.98 75.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.661 -0.7 . . . . 0.17000000000000001 110.541 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 556' ' ' LYS . . . . . 0.511 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 6.4 tmtm? -66.23 -44.9 82.47 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.907 -0.775 . . . . 1.8300000000000001 108.907 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -55.45 -45.74 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.263 0.554 . . . . 0.17999999999999999 110.296 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 554' ' ' MET . 51.9 mt -62.52 -50.04 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.238 -0.892 . . . . 0.17999999999999999 110.164 177.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -65.88 -34.7 78.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.635 -0.711 . . . . 2.2000000000000002 110.73 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -61.42 -48.41 81.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.903 -0.59 . . . . 1.03 110.774 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.66 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.8 tpt180 -67.06 -48.84 67.03 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.279 -0.419 . . . . 1.5700000000000001 110.326 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 558' ' ' ILE . 96.6 t -57.63 -35.04 48.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.049 -0.523 . . . . 0.23999999999999999 111.215 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 13.4 t -64.3 -48.13 76.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.758 -0.201 . . . . 0.83999999999999997 110.81 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -69.95 -32.9 71.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.298 0.57 . . . . 1.7 110.161 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.71 -58.07 8.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.353 -0.839 . . . . 0.57999999999999996 110.852 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.88 111.255 -179.257 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.507 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.445 -0.741 0 N-CA-C 110.472 -1.051 . . . . 0.57999999999999996 110.472 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.54 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -151.67 162.8 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 114.778 -0.711 . . . . 0.35999999999999999 110.092 178.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 505' ' ' ARG . 9.0 tpp180 -160.18 141.65 12.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.822 -0.626 . . . . 2.96 110.265 174.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 58.9 t -113.92 134.44 56.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 116.105 -0.498 . . . . 0.23000000000000001 110.22 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -130.12 161.98 29.85 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.691 -0.686 . . . . 2.0099999999999998 110.686 -178.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 489' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.01 128.58 34.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.065 -0.97 . . . . 0.37 110.732 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.553 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -75.05 -13.97 60.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.487 0.66 . . . . 0.42999999999999999 110.074 176.104 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -145.39 -178.25 5.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.032 -0.986 . . . . 2.02 110.013 -172.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -85.29 124.01 31.42 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.953 -0.388 . . . . 2.3599999999999999 109.953 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 121.428 0.632 . . . . 1.3700000000000001 111.361 -176.344 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 498' ' ' ILE . . . . . 0.44 HD12 ' HG3' ' A' ' 529' ' ' GLU . 30.0 mm . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.399 0.619 . . . . 0.68000000000000005 110.597 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -102.71 118.35 36.64 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.636 -0.711 . . . . 0.45000000000000001 110.817 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 500' ' ' ILE . . . . . 0.422 ' CD1' HD13 ' A' ' 565' ' ' ILE . 12.0 pt -114.36 -177.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.28 -0.873 . . . . 0.31 110.871 -175.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -129.02 114.76 16.8 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.909 -0.587 . . . . 1.8100000000000001 110.035 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.442 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 37.9 mt -113.68 161.71 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 0.59999999999999998 110.406 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.713 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.3 m95 -123.61 126.51 46.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.797 0.332 . . . . 0.34000000000000002 110.628 172.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 49.5 tp -83.29 97.6 8.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.003 -0.544 . . . . 0.28999999999999998 110.397 176.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 505' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 486' ' ' ARG . 38.1 mtp180 -80.12 118.31 21.71 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.699 -0.682 . . . . 3.3300000000000001 110.748 178.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.409 HG21 HG22 ' A' ' 509' ' ' ILE . 24.1 mm -85.75 111.77 21.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.539 -0.541 . . . . 0.51000000000000001 109.539 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 507' ' ' GLU . . . . . 0.507 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 11.4 mm-40 -93.55 -43.34 8.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.953 -0.567 . . . . 1.52 112.429 -171.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -143.34 97.48 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.966 0.412 . . . . 0.70999999999999996 110.522 -176.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.409 HG22 HG21 ' A' ' 506' ' ' ILE . 2.2 pp -74.75 -1.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.4 0.518 . . . . 0.70999999999999996 112.4 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -77.36 -22.1 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.218 0.533 . . . . 3.1499999999999999 109.933 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -79.43 -30.8 42.42 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.567 0.698 . . . . 3.1899999999999999 109.434 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 28.4 mt -85.95 144.47 27.62 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.94 -1.027 . . . . 0.57999999999999996 110.657 -173.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -101.27 50.4 0.86 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.637 0.732 . . . . 3.2999999999999998 109.666 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -149.99 176.09 28.8 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.239 -0.892 . . . . 0.95999999999999996 111.368 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -98.59 76.13 2.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.085 0.469 . . . . 3.5299999999999998 110.528 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -94.56 179.17 5.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.716 -0.675 . . . . 0.72999999999999998 110.001 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -109.73 127.78 54.84 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.069 -0.715 . . . . 1.98 109.069 172.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -80.36 37.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.624 0.726 . . . . 2.29 111.068 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -168.67 28.93 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.274 -0.876 . . . . 2.5600000000000001 110.019 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -123.74 148.57 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.52 111.147 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -128.36 132.58 48.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.42999999999999999 109.958 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.444 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 85.4 mt -104.42 106.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.64 -0.709 . . . . 0.39000000000000001 111.047 -175.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.713 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.3 tt0 -68.54 125.89 27.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.729 -0.669 . . . . 0.59999999999999998 110.951 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 524' ' ' PHE . . . . . 0.414 ' CD2' HG11 ' A' ' 536' ' ' VAL . 36.6 p90 -140.62 143.78 35.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.434 . . . . 0.23999999999999999 109.877 176.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.4 p -89.55 142.48 27.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.408 -0.36 . . . . 1.24 110.295 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 526' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 528' ' ' LEU . 22.9 t80 -129.53 115.99 18.26 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 120.472 -0.491 . . . . 0.27000000000000002 110.963 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -82.23 107.52 14.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.499 -0.926 . . . . 0.57999999999999996 108.499 171.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 526' ' ' PHE . 84.3 mt -65.03 -10.4 29.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.216 0.821 . . . . 0.51000000000000001 113.216 -171.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 529' ' ' GLU . . . . . 0.44 ' HG3' HD12 ' A' ' 498' ' ' ILE . 39.2 mt-10 -109.71 -34.73 6.39 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.767 -0.373 . . . . 2.1800000000000002 111.747 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 530' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 530' ' ' ARG . 1.8 mmp_? -96.46 -40.76 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.51 0.559 . . . . 4.0999999999999996 112.51 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.53 153.75 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.503 0.668 . . . . 0.60999999999999999 111.7 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 69.4 t -127.64 137.7 31.28 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 114.959 -1.018 . . . . 0.28000000000000003 108.738 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -50.1 -48.41 19.87 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.483 2.122 . . . . 0.23999999999999999 112.219 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.06 -33.05 73.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 2.3399999999999999 111.681 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 12.6 t70 -69.38 -43.33 73.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.07 0.462 . . . . 1.0900000000000001 110.019 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 524' ' ' PHE . 99.6 t -64.17 -39.95 87.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.681 -0.69 . . . . 0.28000000000000003 110.451 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.04 -27.22 68.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.375 . . . . 0.17000000000000001 110.614 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.581 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 13.5 mm-40 -68.01 -45.57 73.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 110.057 -0.349 . . . . 1.0800000000000001 110.057 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -55.68 -45.37 77.79 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.865 -0.607 . . . . 2.0699999999999998 109.524 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.525 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 55.5 mtt -54.68 -44.17 73.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.972 -1.013 . . . . 0.25 111.487 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.649 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.0 t -69.59 -44.01 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.322 -0.399 . . . . 0.23999999999999999 110.985 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.42 -40.79 73.64 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.673 0.249 . . . . 0.77000000000000002 111.673 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 39.0 m -74.7 -11.67 60.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.739 0.304 . . . . 1.22 111.465 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 94.97 29.18 9.27 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.581 -0.818 . . . . 0.54000000000000004 113.62 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.57 -43.51 6.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.259 0.552 . . . . 0.56000000000000005 110.379 176.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.649 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 92.3 t -120.42 147.97 23.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.56 -0.746 . . . . 0.17000000000000001 111.064 -173.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 38.1 t -83.03 144.0 30.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.531 -0.759 . . . . 0.42999999999999999 109.15 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.46 -23.69 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.698 -0.683 . . . . 2.7200000000000002 111.929 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.86 -20.7 77.68 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.851 -0.69 . . . . 0.32000000000000001 112.096 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -100.53 7.46 44.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.884 0.373 . . . . 1.23 110.451 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 551' ' ' HIS . . . . . 0.581 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 45.3 t-80 -53.32 -47.44 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.23999999999999999 110.637 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -64.81 -41.06 96.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.675 . . . . 2.8999999999999999 110.429 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 25.1 m -61.96 -49.04 77.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.01 -0.996 . . . . 0.34999999999999998 111.485 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.578 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.8 mmt -66.91 -44.79 79.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.923 -0.58 . . . . 0.14000000000000001 111.164 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -59.54 -34.8 73.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.501 . . . . 0.17000000000000001 110.712 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -68.84 -35.79 77.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.868 -0.605 . . . . 1.8300000000000001 110.102 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.54 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -65.31 -43.06 92.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.203 0.525 . . . . 0.17999999999999999 109.936 174.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 554' ' ' MET . 62.3 mt -64.13 -50.57 76.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.071 -0.968 . . . . 0.17999999999999999 110.617 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -64.37 -33.5 76.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.02 -0.536 . . . . 2.2000000000000002 110.851 -176.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 560' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 18.2 t70 -55.96 -42.79 76.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.042 0.449 . . . . 1.03 110.272 178.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.417 ' HG3' HD11 ' A' ' 565' ' ' ILE . 16.2 tpp180 -76.25 -49.07 18.06 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.742 -0.663 . . . . 1.5700000000000001 111.087 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 558' ' ' ILE . 60.2 t -60.67 -35.79 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.714 -0.221 . . . . 0.23999999999999999 111.445 -175.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 20.6 t -61.12 -43.67 98.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.993 -0.373 . . . . 0.83999999999999997 109.993 176.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 83.9 mt -66.17 -45.02 82.37 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.893 -0.594 . . . . 1.7 110.42 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 565' ' ' ILE . . . . . 0.422 HD13 ' CD1' ' A' ' 500' ' ' ILE . 89.0 mt -53.22 -57.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.452 -0.795 . . . . 0.57999999999999996 111.376 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.951 -0.568 . . . . 0.88 110.669 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.355 0 N-CA-C 113.773 0.269 . . . . 0.57999999999999996 113.773 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.51 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.8 OUTLIER -150.38 155.87 7.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 123.089 0.555 . . . . 0.35999999999999999 110.273 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 486' ' ' ARG . . . . . 0.444 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 16.4 tpp180 -163.37 134.07 4.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.961 -0.563 . . . . 2.96 110.315 177.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 487' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 47.8 t -107.46 132.3 55.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.538 -0.756 . . . . 0.23000000000000001 111.173 -176.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -114.41 160.21 19.41 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.378 -0.828 . . . . 2.0099999999999998 110.602 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 489' ' ' LEU . . . . . 0.558 HD23 HD23 ' A' ' 502' ' ' LEU . 58.2 mt -91.56 133.84 35.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.685 -0.689 . . . . 0.37 110.022 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 490' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -83.28 -2.96 56.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.404 0.621 . . . . 0.42999999999999999 110.544 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -156.47 169.55 24.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.455 -0.793 . . . . 2.02 109.984 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.78 117.18 15.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.203 -0.453 . . . . 2.3599999999999999 110.178 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.097 0.475 . . . . 1.3700000000000001 111.349 -177.847 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 31.6 mm . . . . . 0 CA--C 1.508 -0.66 0 CA-C-O 121.656 0.741 . . . . 0.68000000000000005 109.624 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -122.21 123.55 41.76 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.734 -1.121 . . . . 0.45000000000000001 110.127 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.2 pt -117.99 176.7 2.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.726 -0.67 . . . . 0.31 111.014 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -122.69 115.61 22.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.681 -0.69 . . . . 1.8100000000000001 109.478 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 502' ' ' LEU . . . . . 0.558 HD23 HD23 ' A' ' 489' ' ' LEU . 44.2 mt -113.85 160.33 18.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.814 -0.63 . . . . 0.59999999999999998 110.833 -175.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 503' ' ' TRP . . . . . 0.657 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 41.3 m95 -124.56 124.69 42.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.852 -0.425 . . . . 0.34000000000000002 109.852 168.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 504' ' ' LEU . . . . . 0.578 HD21 ' SD ' ' A' ' 554' ' ' MET . 28.8 tp -85.77 109.83 18.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.372 -0.377 . . . . 0.28999999999999998 110.429 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -102.2 137.16 40.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.948 0.404 . . . . 3.3300000000000001 110.392 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' ILE . . . . . 0.539 HG21 HG22 ' A' ' 509' ' ' ILE . 28.4 mm -88.76 121.56 39.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.877 -0.601 . . . . 0.51000000000000001 109.634 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -86.75 -28.22 23.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.85 -0.614 . . . . 1.52 111.057 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -148.75 98.14 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.005 -0.543 . . . . 0.70999999999999996 109.628 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.539 HG22 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -74.74 -24.32 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.86 0.689 . . . . 0.70999999999999996 112.86 -172.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 510' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 511' ' ' LYS . 0.8 OUTLIER -88.5 -14.24 38.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.722 -0.391 . . . . 3.1499999999999999 111.77 -173.529 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 511' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 510' ' ' LYS . 26.4 mmmt -81.6 -14.48 56.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.918 0.39 . . . . 3.1899999999999999 110.586 174.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 512' ' ' LEU . . . . . 0.598 HD22 ' OD2' ' A' ' 550' ' ' ASP . 71.3 mt -94.14 160.68 14.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.324 0.583 . . . . 0.57999999999999996 111.828 -175.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 513' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 547' ' ' CYS . 69.4 mmtt -94.0 87.22 5.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.31 -0.859 . . . . 3.2999999999999998 109.786 173.088 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 159.69 166.66 19.04 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.066 -0.588 . . . . 0.95999999999999996 111.914 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -93.15 106.61 18.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.858 0.361 . . . . 3.5299999999999998 110.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -128.74 149.28 50.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.229 -0.441 . . . . 0.72999999999999998 109.934 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -87.9 144.42 26.58 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.437 -0.347 . . . . 1.98 110.225 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.66 32.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.052 0.76 . . . . 2.29 113.052 -167.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 30.5 p30 179.4 25.13 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.095 -0.502 . . . . 2.5600000000000001 111.792 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.38 154.52 17.22 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.139 0.495 . . . . 1.52 110.609 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -127.62 148.01 50.37 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.323 -0.853 . . . . 0.42999999999999999 110.297 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 522' ' ' ILE . . . . . 0.661 HD13 ' HB3' ' A' ' 545' ' ' TYR . 82.1 mt -120.81 103.53 13.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.334 -0.848 . . . . 0.39000000000000001 110.184 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 523' ' ' GLU . . . . . 0.657 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 12.8 tt0 -70.24 124.83 25.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.339 -0.392 . . . . 0.59999999999999998 110.697 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 524' ' ' PHE . . . . . 0.429 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 26.5 p90 -144.47 140.1 28.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.221 -0.445 . . . . 0.23999999999999999 109.821 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 49.5 m -90.47 144.43 25.8 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.764 -0.458 . . . . 1.24 109.764 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -131.38 118.22 19.96 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.31 -0.556 . . . . 0.27000000000000002 111.1 -175.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -83.27 105.8 14.53 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.87 -1.159 . . . . 0.57999999999999996 107.87 170.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 528' ' ' LEU . . . . . 0.413 HD22 HG13 ' A' ' 562' ' ' VAL . 57.0 mt -61.26 -18.79 60.13 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.679 -0.691 . . . . 0.51000000000000001 112.787 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -104.89 -40.48 5.92 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.914 -0.314 . . . . 2.1800000000000002 111.53 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -86.38 -49.35 7.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.172 0.434 . . . . 4.0999999999999996 112.172 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -73.11 144.44 46.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.611 0.72 . . . . 0.60999999999999999 111.692 -173.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 532' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 536' ' ' VAL . 99.3 t -112.43 134.14 21.64 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 114.949 -1.023 . . . . 0.28000000000000003 108.849 176.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.93 -39.02 49.56 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.09 2.527 . . . . 0.23999999999999999 113.097 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 534' ' ' GLU . . . . . 0.404 ' H ' HG12 ' A' ' 532' ' ' VAL . 41.8 mt-10 -72.89 -34.88 66.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 2.3399999999999999 110.94 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 535' ' ' ASP . . . . . 0.521 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 25.5 t70 -64.56 -44.73 89.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.638 0.733 . . . . 1.0900000000000001 110.319 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 536' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 532' ' ' VAL . 53.4 t -71.11 -36.56 63.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.075 -0.966 . . . . 0.28000000000000003 111.109 -178.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 537' ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.25 -26.5 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.17000000000000001 110.138 175.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 538' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 51.6 mm-40 -66.47 -47.79 71.95 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.907 -0.405 . . . . 1.0800000000000001 109.907 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.63 -40.4 68.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.137 0.494 . . . . 2.0699999999999998 110.027 175.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 540' ' ' MET . . . . . 0.501 ' HB3' HG23 ' A' ' 546' ' ' VAL . 53.4 mtt -57.19 -46.4 82.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.305 -0.861 . . . . 0.25 111.324 177.124 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 541' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 537' ' ' ALA . 58.7 t -69.68 -47.84 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.895 -0.593 . . . . 0.23999999999999999 110.862 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -60.21 -35.16 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.77000000000000002 111.864 -177.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.4 m -84.53 -4.8 59.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.647 0.26 . . . . 1.22 111.518 -176.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 89.15 17.63 55.38 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.63 -0.795 . . . . 0.54000000000000004 113.539 176.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 545' ' ' TYR . . . . . 0.661 ' HB3' HD13 ' A' ' 522' ' ' ILE . 49.4 m-85 -87.52 -53.82 4.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.09 0.471 . . . . 0.56000000000000005 110.102 177.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 546' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 87.2 t -106.59 146.57 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.17000000000000001 110.418 -178.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 547' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 513' ' ' LYS . 42.4 t -84.86 145.27 27.9 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.665 -0.865 . . . . 0.42999999999999999 108.665 173.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -3.53 3.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.699 0.629 . . . . 2.7200000000000002 112.699 -172.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -86.36 -11.73 71.53 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.626 -0.797 . . . . 0.32000000000000001 112.884 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 550' ' ' ASP . . . . . 0.598 ' OD2' HD22 ' A' ' 512' ' ' LEU . 4.6 t70 -123.25 26.87 7.79 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.076 0.465 . . . . 1.23 111.004 -178.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 551' ' ' HIS . . . . . 0.516 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 28.0 t-80 -57.99 -49.96 75.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.23999999999999999 111.305 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -67.91 -31.72 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.095 0.474 . . . . 2.8999999999999999 110.824 -176.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 553' ' ' THR . . . . . 0.439 ' HB ' ' CG ' ' A' ' 550' ' ' ASP . 80.5 m -66.67 -49.0 67.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.565 -0.743 . . . . 0.34999999999999998 111.027 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 554' ' ' MET . . . . . 0.578 ' SD ' HD21 ' A' ' 504' ' ' LEU . 25.5 mmt -63.51 -42.12 98.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.859 -0.609 . . . . 0.14000000000000001 110.436 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.87 -35.94 73.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.373 -0.831 . . . . 0.17000000000000001 110.699 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -69.53 -39.94 77.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.103 -0.499 . . . . 1.8300000000000001 110.452 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 557' ' ' ALA . . . . . 0.51 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -59.46 -47.16 86.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.303 0.573 . . . . 0.17999999999999999 110.096 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 558' ' ' ILE . . . . . 0.429 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 81.3 mt -59.83 -53.57 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 114.976 -1.011 . . . . 0.17999999999999999 110.702 176.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.0 -37.05 85.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 2.2000000000000002 111.499 -177.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.58 -48.57 80.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.071 0.462 . . . . 1.03 109.939 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 561' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 561' ' ' ARG . 8.3 tpt180 -66.89 -46.48 74.78 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.576 -0.738 . . . . 1.5700000000000001 110.463 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 558' ' ' ILE . 57.6 t -58.15 -38.61 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.429 -0.35 . . . . 0.23999999999999999 110.973 178.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 7.6 t -63.94 -43.54 95.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.232 -0.44 . . . . 0.83999999999999997 110.269 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.56 -40.4 92.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.326 0.584 . . . . 1.7 110.359 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.07 -52.55 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.224 -0.898 . . . . 0.57999999999999996 111.097 176.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 116.024 -0.534 . . . . 0.88 111.319 179.807 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.879 -0.489 . . . . 9.5 111.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -84.26 102.52 12.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 7.3399999999999999 110.703 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 50.6 ttm -83.52 -34.45 25.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 10.949999999999999 110.238 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 478' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 7.3 p-10 -80.55 135.2 53.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.878 -0.601 . . . . 6.7800000000000002 110.139 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 33.1 Cg_exo -63.07 57.68 0.16 Allowed 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.953 3.102 . . . . 7.4500000000000002 113.778 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -94.93 -62.61 1.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.564 -0.532 . . . . 7.3399999999999999 109.564 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 51.51 66.43 1.19 Allowed 'General case' 0 C--O 1.232 0.167 0 O-C-N 123.889 0.743 . . . . 6.0300000000000002 110.532 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.73 -26.67 61.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 5.9199999999999999 110.81 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 3.7 m -70.12 120.15 15.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.699 -0.482 . . . . 1.7 109.699 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.483 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -82.75 25.47 4.58 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.66 -0.781 . . . . 0.57999999999999996 112.834 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.536 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.5 OUTLIER -150.57 154.08 9.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 122.832 0.453 . . . . 0.35999999999999999 110.26 178.464 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -159.01 135.19 9.03 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.542 -0.754 . . . . 2.96 109.804 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 63.6 t -112.31 131.02 64.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.3 0.571 . . . . 0.23000000000000001 111.004 -177.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.439 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 79.2 mm-40 -122.18 163.33 19.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.121 -0.945 . . . . 2.0099999999999998 110.059 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.581 HD23 HD23 ' A' ' 502' ' ' LEU . 81.1 mt -83.51 140.56 32.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.734 -0.666 . . . . 0.37 110.158 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -75.57 -17.96 59.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.715 0.769 . . . . 0.42999999999999999 109.923 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -163.95 1.43 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.603 -1.181 . . . . 2.02 108.976 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -115.22 92.84 4.06 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.652 -0.419 . . . . 2.3599999999999999 110.805 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' ASP . . . . . 0.5 ' H ' HD13 ' A' ' 489' ' ' LEU . 24.4 t70 -63.8 125.65 25.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.763 -0.653 . . . . 1.3700000000000001 111.31 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -153.21 14.35 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.886 -0.597 . . . . 3.3799999999999999 110.527 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -117.73 -125.4 3.56 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.295 -0.955 . . . . 2.4500000000000002 112.564 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -141.15 7.79 2.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.577 -0.311 . . . . 3.3500000000000001 110.241 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -49.81 123.82 8.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.567 -0.742 . . . . 1.75 111.404 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 31.4 mm -75.56 -30.18 21.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.72 -0.673 . . . . 0.68000000000000005 109.769 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -115.47 123.86 49.65 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.646 -0.706 . . . . 0.45000000000000001 110.725 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.0 pt -117.56 -177.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.41 -0.813 . . . . 0.31 110.383 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 24.3 ttmm -130.84 117.66 19.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.026 0.441 . . . . 1.8100000000000001 110.102 176.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.581 HD23 HD23 ' A' ' 489' ' ' LEU . 40.3 mt -113.08 156.46 23.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.641 -0.709 . . . . 0.59999999999999998 110.769 -175.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.627 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.0 m95 -119.92 119.3 33.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.851 -0.426 . . . . 0.34000000000000002 109.851 169.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.514 HD21 ' SD ' ' A' ' 554' ' ' MET . 45.5 tp -76.18 100.18 4.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.005 -0.543 . . . . 0.28999999999999998 109.753 175.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -88.36 125.67 34.82 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.705 -0.68 . . . . 3.3300000000000001 110.341 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.644 HG21 HG22 ' A' ' 509' ' ' ILE . 26.2 mm -86.12 113.47 24.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.329 -0.396 . . . . 0.51000000000000001 110.01 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.483 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.8 mt-10 -79.05 -46.09 18.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.134 -0.485 . . . . 1.52 111.79 -176.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -144.31 105.97 4.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.936 0.398 . . . . 0.70999999999999996 110.224 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.644 HG22 HG21 ' A' ' 506' ' ' ILE . 2.4 pp -75.19 -11.41 14.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.067 -0.515 . . . . 0.70999999999999996 112.006 -176.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -79.58 -20.11 47.74 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.251 0.548 . . . . 3.1499999999999999 110.293 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 511' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 511' ' ' LYS . 13.5 mmmm -78.91 -14.16 59.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.741 -0.663 . . . . 3.1899999999999999 110.459 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 33.4 mt -99.52 173.18 6.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.514 -0.766 . . . . 0.57999999999999996 110.509 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -131.58 64.48 1.59 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.272 0.558 . . . . 3.2999999999999998 110.488 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -169.25 -154.79 9.34 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.675 -0.774 . . . . 0.95999999999999996 112.133 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 515' ' ' LYS . 3.8 mppt? -102.77 102.52 12.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.938 -0.393 . . . . 3.5299999999999998 109.938 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -132.6 176.39 8.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.019 -0.537 . . . . 0.72999999999999998 110.0 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -135.98 139.12 42.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.747 -0.464 . . . . 1.98 109.747 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.28 37.02 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.925 0.869 . . . . 2.29 110.582 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -163.95 36.01 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.101 -0.954 . . . . 2.5600000000000001 110.04 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -128.15 151.73 48.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.754 -0.657 . . . . 1.52 110.938 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -146.31 130.08 17.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.475 -0.784 . . . . 0.42999999999999999 109.518 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.648 HD13 ' HB3' ' A' ' 545' ' ' TYR . 78.1 mt -101.78 105.63 18.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.548 -0.751 . . . . 0.39000000000000001 110.987 -175.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.627 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 13.1 tt0 -71.4 130.01 40.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.953 -0.567 . . . . 0.59999999999999998 110.489 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -148.12 140.19 24.09 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.672 -0.492 . . . . 0.23999999999999999 109.672 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 36.1 m -87.52 140.91 29.05 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.684 -0.487 . . . . 1.24 109.684 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -127.85 114.7 17.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 120.617 -0.433 . . . . 0.27000000000000002 110.692 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -81.8 112.16 18.69 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.495 -0.928 . . . . 0.57999999999999996 108.495 171.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.84 -13.77 60.18 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.503 0.557 . . . . 0.51000000000000001 112.503 -172.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -108.45 -42.68 4.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.68 0.276 . . . . 2.1800000000000002 111.209 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -90.66 -38.74 12.9 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.569 0.581 . . . . 4.0999999999999996 112.569 -173.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.74 147.06 27.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.2 0.524 . . . . 0.60999999999999999 111.365 -176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 75.1 t -119.65 133.79 23.85 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.506 -0.77 . . . . 0.28000000000000003 110.36 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.09 -51.22 11.66 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.511 2.141 . . . . 0.23999999999999999 112.839 -175.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -69.7 -25.26 63.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 2.3399999999999999 111.694 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 14.8 t70 -67.19 -48.58 67.48 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.268 -0.641 . . . . 1.0900000000000001 109.268 175.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.57 -39.75 82.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.142 -0.935 . . . . 0.28000000000000003 111.084 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.11 -26.57 66.76 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.921 -0.312 . . . . 0.17000000000000001 111.309 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -68.33 -43.38 77.67 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.586 -0.524 . . . . 1.0800000000000001 109.586 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 3.2 mm-40 -58.77 -42.81 89.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.458 -0.792 . . . . 2.0699999999999998 109.026 176.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.455 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.0 mtt -54.89 -43.44 73.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.232 -0.894 . . . . 0.25 111.173 177.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 63.5 t -66.68 -50.21 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.987 -0.551 . . . . 0.23999999999999999 110.95 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.2 -38.33 81.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.265 -0.425 . . . . 0.77000000000000002 111.809 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.7 m -76.19 -1.82 28.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.666 0.269 . . . . 1.22 111.719 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 84.73 30.19 27.31 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.735 -0.745 . . . . 0.54000000000000004 113.555 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.648 ' HB3' HD13 ' A' ' 522' ' ' ILE . 72.6 m-85 -103.54 -42.89 5.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.072 0.463 . . . . 0.56000000000000005 110.546 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 86.8 t -121.96 151.91 25.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.715 -0.675 . . . . 0.17000000000000001 110.41 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 43.0 t -87.88 140.33 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.954 -0.758 . . . . 0.42999999999999999 108.954 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.484 ' HB2' HG11 ' A' ' 541' ' ' VAL . 10.2 tp10 -59.38 -21.17 59.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.911 -0.586 . . . . 2.7200000000000002 111.281 -175.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -70.85 -18.14 75.84 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.96 -0.638 . . . . 0.32000000000000001 112.682 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 554' ' ' MET . 51.3 m-20 -112.65 16.15 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.846 0.323 . . . . 1.23 111.158 -178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -53.96 -51.15 64.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.26 -0.427 . . . . 0.23999999999999999 111.523 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -63.62 -40.95 98.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.528 -0.305 . . . . 2.8999999999999999 110.244 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 44.9 m -58.03 -48.37 80.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.723 -0.672 . . . . 0.34999999999999998 111.106 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.591 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.3 mmt -67.28 -47.15 71.5 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.017 -0.538 . . . . 0.14000000000000001 110.881 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.61 78.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.17000000000000001 110.903 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -66.6 -36.51 82.79 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.945 -0.57 . . . . 1.8300000000000001 110.135 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.536 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -62.64 -46.42 88.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.209 0.528 . . . . 0.17999999999999999 109.987 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 554' ' ' MET . 54.6 mt -61.43 -51.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.114 -0.948 . . . . 0.17999999999999999 110.362 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -65.15 -35.43 81.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.647 -0.706 . . . . 2.2000000000000002 110.593 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.72 -43.6 94.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 1.03 110.567 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.4 tpt180 -72.03 -48.98 40.58 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.209 -0.451 . . . . 1.5700000000000001 110.684 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 558' ' ' ILE . 95.2 t -57.71 -34.23 47.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.226 -0.443 . . . . 0.23999999999999999 110.59 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 14.5 t -61.87 -49.94 74.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.005 -0.543 . . . . 0.83999999999999997 110.685 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -70.26 -36.35 74.39 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 120.879 0.371 . . . . 1.7 110.351 -177.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.11 -55.32 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.57999999999999996 111.023 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 98.9 mttt -65.25 -31.37 72.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.847 -0.615 . . . . 0.88 110.845 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.514 ' HD2' ' OE1' ' A' ' 570' ' ' GLU . 31.5 tpt180 -65.68 -43.03 90.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 3.0 111.22 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 564' ' ' LEU . 75.1 mmtt -63.68 -32.84 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.461 0.648 . . . . 3.4700000000000002 110.037 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -75.65 -6.11 48.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.322 -0.854 . . . . 3.0499999999999998 112.026 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.514 ' OE1' ' HD2' ' A' ' 567' ' ' ARG . 34.1 mt-10 -82.85 -3.04 56.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.148 0.499 . . . . 2.1600000000000001 110.432 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -102.81 138.12 40.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.858 -0.61 . . . . 5.2800000000000002 109.899 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.416 -0.802 . . . . 8.0299999999999994 110.475 179.463 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.929 -0.468 . . . . 9.5 111.929 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -71.29 97.74 1.63 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.986 0.422 . . . . 7.3399999999999999 110.843 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 23.6 ptp -120.05 -15.27 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.114 -0.494 . . . . 10.949999999999999 110.585 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 478' ' ' ASP . . . . . 0.405 ' HB2' ' HD2' ' A' ' 479' ' ' PRO . 4.4 p-10 -129.49 157.05 77.57 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.987 -0.746 . . . . 6.7800000000000002 108.987 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 479' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 478' ' ' ASP . 55.2 Cg_endo -68.2 75.33 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.725 2.284 . . . . 7.4500000000000002 112.936 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -141.81 -56.29 0.46 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.665 -0.698 . . . . 7.3399999999999999 109.486 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.69 164.11 24.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.663 -0.699 . . . . 6.0300000000000002 110.454 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 482' ' ' GLU . . . . . 0.537 ' HG2' ' H ' ' A' ' 483' ' ' THR . 27.2 tt0 -71.6 176.49 4.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.248 -0.433 . . . . 5.9199999999999999 109.963 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.537 ' H ' ' HG2' ' A' ' 482' ' ' GLU . 2.4 m -50.04 137.75 16.79 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 122.568 0.347 . . . . 1.7 111.054 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.419 ' C ' ' HB3' ' A' ' 507' ' ' GLU . . . -76.1 41.82 1.57 Allowed Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.318 -0.468 . . . . 0.57999999999999996 113.426 -174.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -153.91 170.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 122.653 0.381 . . . . 0.35999999999999999 110.789 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -161.65 134.8 6.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.978 -0.556 . . . . 2.96 110.032 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 85.2 t -104.72 133.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.042 0.449 . . . . 0.23000000000000001 110.572 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.636 ' HG3' ' NH2' ' A' ' 505' ' ' ARG . 67.9 mm-40 -122.19 160.97 24.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.452 -0.794 . . . . 2.0099999999999998 110.174 -177.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.537 HD23 HD23 ' A' ' 502' ' ' LEU . 57.0 mt -80.65 145.03 31.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.141 -0.481 . . . . 0.37 109.894 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -79.69 -30.46 41.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.701 0.762 . . . . 0.42999999999999999 109.222 173.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.72 -164.72 1.39 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.754 -1.112 . . . . 2.02 110.066 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -94.01 136.23 34.52 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 116.023 -0.535 . . . . 2.3599999999999999 109.631 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -120.05 104.73 10.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.378 0.51 . . . . 1.3700000000000001 112.378 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -161.05 22.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.558 -0.746 . . . . 3.3799999999999999 109.763 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -104.02 8.21 49.44 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.827 -0.701 . . . . 2.4500000000000002 113.528 -174.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 63.09 12.56 6.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.125 0.488 . . . . 3.3500000000000001 111.554 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -62.6 132.88 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.485 -0.78 . . . . 1.75 110.449 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 28.0 mm -76.99 -28.62 16.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.159 -0.473 . . . . 0.68000000000000005 110.732 -174.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -120.56 122.9 41.58 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.354 0.597 . . . . 0.45000000000000001 111.059 -176.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 14.0 pt -120.99 -177.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.122 -0.945 . . . . 0.31 110.498 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 36.2 ttpt -127.5 120.08 27.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.155 0.502 . . . . 1.8100000000000001 110.195 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.537 HD23 HD23 ' A' ' 489' ' ' LEU . 45.9 mt -112.77 157.38 21.4 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.516 -0.766 . . . . 0.59999999999999998 110.958 -175.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.67 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.5 m95 -119.61 116.56 26.27 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 0.34000000000000002 109.734 169.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.483 ' HB3' ' HB ' ' A' ' 522' ' ' ILE . 51.6 tp -75.23 95.37 3.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.443 -0.577 . . . . 0.28999999999999998 109.443 174.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.636 ' NH2' ' HG3' ' A' ' 488' ' ' GLU . 6.5 ttm180 -87.38 120.15 28.38 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.893 -0.594 . . . . 3.3300000000000001 110.019 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.601 ' HA ' HG12 ' A' ' 485' ' ' VAL . 30.5 mm -77.1 109.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.81 -0.632 . . . . 0.51000000000000001 110.026 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.531 ' H ' ' HA ' ' A' ' 485' ' ' VAL . 6.7 tp10 -75.6 -55.33 5.77 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.194 -0.912 . . . . 1.52 110.6 -175.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.45 106.61 8.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.007 0.432 . . . . 0.70999999999999996 110.823 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.482 HG22 HG21 ' A' ' 506' ' ' ILE . 2.4 pp -75.26 -15.15 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.594 0.591 . . . . 0.70999999999999996 112.594 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.28 -11.55 56.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.269 0.557 . . . . 3.1499999999999999 110.345 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -81.32 -18.62 45.11 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 121.861 0.838 . . . . 3.1899999999999999 109.03 174.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 15.0 mt -102.98 173.44 6.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.036 -0.984 . . . . 0.57999999999999996 110.444 -175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -138.39 75.25 1.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.236 0.541 . . . . 3.2999999999999998 109.958 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -168.24 -154.04 8.55 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.6 -0.727 . . . . 0.95999999999999996 111.734 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -100.35 94.36 6.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.755 0.312 . . . . 3.5299999999999998 110.465 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -133.37 174.28 10.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.444 . . . . 0.72999999999999998 109.959 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 519' ' ' ASN . 57.0 mtmt -140.64 156.26 46.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.244 -0.28 . . . . 1.98 110.244 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -79.73 36.58 0.33 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 122.226 1.012 . . . . 2.29 110.66 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 517' ' ' LYS . 23.4 t-20 -171.18 46.42 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.519 -1.219 . . . . 2.5600000000000001 107.76 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -120.03 122.72 41.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.029 -0.987 . . . . 1.52 110.204 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -134.1 123.76 24.99 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 115.911 -0.586 . . . . 0.42999999999999999 109.764 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.547 HD13 ' HB3' ' A' ' 545' ' ' TYR . 73.7 mt -101.63 104.17 15.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 115.373 -0.83 . . . . 0.39000000000000001 110.642 -176.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.67 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.2 tt0 -71.93 128.91 37.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.719 -0.673 . . . . 0.59999999999999998 110.201 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -151.79 140.81 21.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.274 -0.421 . . . . 0.23999999999999999 109.949 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 53.7 m -85.33 144.12 28.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.09 -0.337 . . . . 1.24 110.09 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -131.43 122.39 26.18 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.401 -0.519 . . . . 0.27000000000000002 110.806 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.09 113.12 24.24 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.709 -0.848 . . . . 0.57999999999999996 108.709 172.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.97 -4.6 13.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.608 0.596 . . . . 0.51000000000000001 112.608 -172.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -111.05 -49.92 2.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.011 0.434 . . . . 2.1800000000000002 110.59 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -82.42 -44.66 15.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.794 -0.639 . . . . 4.0999999999999996 112.485 -173.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.1 142.94 43.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.304 0.573 . . . . 0.60999999999999999 111.833 -173.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 536' ' ' VAL . 97.8 t -118.11 125.12 28.15 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.949 . . . . 0.28000000000000003 108.961 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.71 -38.12 84.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 123.424 2.75 . . . . 0.23999999999999999 114.015 -173.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.83 -40.99 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.644 -0.422 . . . . 2.3399999999999999 110.695 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 18.6 t70 -59.53 -42.01 91.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.235 0.54 . . . . 1.0900000000000001 110.242 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 532' ' ' VAL . 41.9 t -66.64 -41.37 88.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.203 -0.908 . . . . 0.28000000000000003 110.996 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.39 -25.76 67.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.378 -0.374 . . . . 0.17000000000000001 110.547 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.7 mm100 -66.17 -42.75 88.51 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.984 -0.376 . . . . 1.0800000000000001 109.984 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -59.11 -41.87 89.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.16 -0.682 . . . . 2.0699999999999998 109.16 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.425 ' HB3' HG23 ' A' ' 546' ' ' VAL . 59.6 mtt -57.7 -43.42 85.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.918 -1.037 . . . . 0.25 110.968 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 537' ' ' ALA . 67.2 t -67.41 -50.75 59.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.558 . . . . 0.23999999999999999 110.724 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -60.03 -42.79 95.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 0.77000000000000002 111.565 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.4 t -71.96 -12.74 61.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.439 -0.346 . . . . 1.22 111.229 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.12 8.44 56.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.54000000000000004 113.489 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.547 ' HB3' HD13 ' A' ' 522' ' ' ILE . 69.8 m-85 -81.41 -48.32 12.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.284 0.564 . . . . 0.56000000000000005 110.526 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 68.9 t -112.23 147.05 16.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.666 -0.697 . . . . 0.17000000000000001 110.604 -176.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 50.3 t -84.34 138.41 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.002 -0.74 . . . . 0.42999999999999999 109.002 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.417 ' HB2' HG11 ' A' ' 541' ' ' VAL . 9.3 tp10 -58.82 -24.66 62.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.905 -0.589 . . . . 2.7200000000000002 111.308 -174.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -69.22 -24.02 76.09 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.949 -0.643 . . . . 0.32000000000000001 112.58 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -106.59 17.64 23.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 1.23 110.609 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -55.13 -53.97 49.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.23999999999999999 111.765 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -70.26 -28.36 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.081 -0.248 . . . . 2.8999999999999999 110.651 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 59.9 m -63.17 -45.21 92.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.097 0.475 . . . . 0.34999999999999998 110.383 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.526 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.3 mmt -71.04 -43.03 68.7 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.14000000000000001 110.819 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.57 73.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.788 -0.642 . . . . 0.17000000000000001 110.761 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.49 -39.42 85.2 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.156 -0.475 . . . . 1.8300000000000001 109.964 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.5 -46.01 91.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.237 0.542 . . . . 0.17999999999999999 109.996 175.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 554' ' ' MET . 60.6 mt -61.91 -51.61 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.193 -0.912 . . . . 0.17999999999999999 110.418 178.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -65.92 -33.24 75.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.855 -0.612 . . . . 2.2000000000000002 110.824 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.5 -47.75 84.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.005 0.431 . . . . 1.03 110.034 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.673 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.2 tpt180 -67.22 -48.84 66.64 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.95 -0.568 . . . . 1.5700000000000001 110.594 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 558' ' ' ILE . 99.4 t -59.21 -33.46 50.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.274 -0.421 . . . . 0.23999999999999999 110.693 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 17.2 t -64.41 -49.1 72.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.206 -0.452 . . . . 0.83999999999999997 110.63 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -69.21 -36.4 77.21 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.877 0.37 . . . . 1.7 110.35 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 61.8 mt -55.69 -53.96 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.459 -0.791 . . . . 0.57999999999999996 110.805 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 62.7 mttm -63.41 -35.97 82.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.734 -0.666 . . . . 0.88 110.986 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -62.64 -37.66 87.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.363 . . . . 3.0 111.073 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.17 -22.39 65.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.252 0.549 . . . . 3.4700000000000002 110.196 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -91.98 0.03 57.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.598 -0.728 . . . . 3.0499999999999998 112.232 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 566' ' ' LYS . 58.7 mt-10 -87.63 9.05 22.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.279 0.561 . . . . 2.1600000000000001 110.206 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -156.5 148.65 23.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.509 -0.769 . . . . 5.2800000000000002 109.323 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.678 -0.677 . . . . 8.0299999999999994 109.857 177.914 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.873 -0.491 . . . . 9.5 111.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -142.62 132.87 24.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 7.3399999999999999 110.771 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 50.6 ttp -77.68 -28.49 51.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.965 -0.561 . . . . 10.949999999999999 109.75 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 478' ' ' ASP . . . . . 0.511 ' OD2' ' HB2' ' A' ' 480' ' ' GLN . 5.3 p-10 -89.59 146.24 35.29 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.354 -0.839 . . . . 6.7800000000000002 109.867 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 479' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 31.8 Cg_exo -62.31 52.67 0.12 Allowed 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 124.03 3.153 . . . . 7.4500000000000002 113.445 174.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.511 ' HB2' ' OD2' ' A' ' 478' ' ' ASP . 27.6 tt0 -72.29 -63.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.57 -0.53 . . . . 7.3399999999999999 109.57 177.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.579 ' HB3' ' OD1' ' A' ' 560' ' ' ASP . 5.2 mm-40 51.53 41.04 28.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.815 0.817 . . . . 6.0300000000000002 110.636 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -138.58 148.43 44.17 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.95 -1.023 . . . . 5.9199999999999999 109.667 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.696 HG22 ' H ' ' A' ' 484' ' ' GLY . 2.4 m -149.06 -173.68 4.43 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 108.687 -0.857 . . . . 1.7 108.687 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.696 ' H ' HG22 ' A' ' 483' ' ' THR . . . -74.97 36.53 1.06 Allowed Glycine 0 C--N 1.333 0.398 0 C-N-CA 121.058 -0.591 . . . . 0.57999999999999996 112.21 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.53 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -155.14 158.81 3.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 123.931 0.892 . . . . 0.35999999999999999 108.977 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -160.63 133.34 6.34 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.133 0.492 . . . . 2.96 110.397 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.455 HG12 HD22 ' A' ' 502' ' ' LEU . 42.9 t -108.99 130.07 62.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.969 -0.56 . . . . 0.23000000000000001 110.97 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -125.6 157.66 36.6 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.964 -1.016 . . . . 2.0099999999999998 109.845 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.626 HD23 HD23 ' A' ' 502' ' ' LEU . 77.7 mt -79.12 133.78 36.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.874 -0.603 . . . . 0.37 110.149 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -70.42 -28.42 65.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.871 0.843 . . . . 0.42999999999999999 108.842 171.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -114.9 -157.01 0.62 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.165 -1.379 . . . . 2.02 109.113 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -117.23 157.49 25.94 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.198 -1.038 . . . . 2.3599999999999999 108.198 167.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -132.81 99.21 4.54 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.358 -0.537 . . . . 1.3700000000000001 112.154 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -147.65 21.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 3.3799999999999999 110.604 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -110.32 -123.23 4.52 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.626 -0.797 . . . . 2.4500000000000002 112.623 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.25 1.99 2.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.726 0.298 . . . . 3.3500000000000001 111.552 -172.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -63.58 123.7 19.49 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.178 0.513 . . . . 1.75 111.129 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 498' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 529' ' ' GLU . 6.2 mm -76.72 -34.59 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.4 -0.818 . . . . 0.68000000000000005 109.563 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 499' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -102.34 127.01 49.53 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.529 -0.759 . . . . 0.45000000000000001 110.458 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.443 ' CD1' HD13 ' A' ' 565' ' ' ILE . 15.9 pt -119.88 173.17 6.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.845 -0.616 . . . . 0.31 110.756 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 490' ' ' ALA . 16.4 tptm -115.66 113.44 23.53 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.824 -0.435 . . . . 1.8100000000000001 109.824 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.626 HD23 HD23 ' A' ' 489' ' ' LEU . 40.2 mt -114.08 156.72 23.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.59999999999999998 111.043 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.745 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 34.6 m95 -122.51 123.15 40.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.976 -0.379 . . . . 0.34000000000000002 109.976 169.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 55.2 tp -81.13 95.48 6.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.921 -0.582 . . . . 0.28999999999999998 110.237 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.422 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 96.3 mtt180 -80.24 120.16 23.96 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.058 -0.519 . . . . 3.3300000000000001 110.005 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.455 HG21 HG22 ' A' ' 509' ' ' ILE . 27.9 mm -82.6 107.6 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.69 -0.485 . . . . 0.51000000000000001 109.69 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.481 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 7.4 mm-40 -80.33 -48.28 13.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.963 -0.562 . . . . 1.52 111.77 -173.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -131.36 100.36 5.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.135 0.493 . . . . 0.70999999999999996 110.506 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.455 HG22 HG21 ' A' ' 506' ' ' ILE . 2.4 pp -76.05 -16.97 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.678 -0.692 . . . . 0.70999999999999996 112.377 -176.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -74.39 -32.11 62.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.07 0.462 . . . . 3.1499999999999999 110.338 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -68.99 -16.58 63.76 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.586 -0.734 . . . . 3.1899999999999999 111.034 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.13 171.29 7.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.769 -0.65 . . . . 0.57999999999999996 110.006 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -134.94 72.15 1.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.595 0.712 . . . . 3.2999999999999998 110.09 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -156.82 -135.84 2.01 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.493 -0.776 . . . . 0.95999999999999996 111.891 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -126.57 93.73 3.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.318 0.58 . . . . 3.5299999999999998 109.989 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -137.5 157.16 47.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.33 -0.85 . . . . 0.72999999999999998 109.632 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 27.9 mtpp -112.06 151.23 29.62 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.411 -0.218 . . . . 1.98 110.411 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.32 36.27 0.36 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.268 0.556 . . . . 2.29 112.282 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -177.42 40.09 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.16 -1.052 . . . . 2.5600000000000001 108.16 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' GLU . . . . . 0.413 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 29.1 tt0 -115.31 138.61 50.78 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.877 -1.056 . . . . 1.52 110.438 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -133.03 135.45 45.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.294 0.568 . . . . 0.42999999999999999 110.713 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.693 HD13 ' HB3' ' A' ' 545' ' ' TYR . 81.2 mt -103.57 106.77 20.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.103 -0.953 . . . . 0.39000000000000001 110.755 -177.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.745 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 24.6 tt0 -71.39 130.08 40.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.988 -0.551 . . . . 0.59999999999999998 110.984 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -149.42 144.29 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 0.23999999999999999 109.831 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 47.2 t -83.27 144.53 29.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.931 -0.766 . . . . 1.24 108.931 174.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 526' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 36.5 t80 -129.36 113.78 15.38 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.261 -0.575 . . . . 0.27000000000000002 110.288 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.1 t70 -79.86 99.91 7.76 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.115 -1.069 . . . . 0.57999999999999996 108.115 172.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.409 HD22 HG13 ' A' ' 562' ' ' VAL . 86.7 mt -54.96 -27.59 44.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.043 -0.526 . . . . 0.51000000000000001 112.16 -172.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.439 ' HB2' HD12 ' A' ' 498' ' ' ILE . 9.4 tp10 -93.03 -45.74 7.78 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 116.225 -0.443 . . . . 2.1800000000000002 111.814 -176.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.74 -44.52 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.49 0.552 . . . . 4.0999999999999996 112.49 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -76.4 158.66 31.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.63 0.729 . . . . 0.60999999999999999 112.579 -170.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 96.5 t -127.81 131.9 24.05 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 114.628 -1.169 . . . . 0.28000000000000003 109.246 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.417 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 50.7 Cg_exo -57.47 -38.99 92.41 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.482 2.788 . . . . 0.23999999999999999 112.782 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -68.31 -30.6 69.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.357 -0.383 . . . . 2.3399999999999999 110.732 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 12.9 t70 -73.82 -45.14 53.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.191 0.52 . . . . 1.0900000000000001 110.138 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 80.4 t -61.96 -38.7 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.532 -0.758 . . . . 0.28000000000000003 110.888 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.62 -21.7 65.38 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.976 -0.289 . . . . 0.17000000000000001 110.79 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.7 mm-40 -74.41 -41.15 61.39 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.845 -0.428 . . . . 1.0800000000000001 109.845 173.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.87 -41.94 88.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.515 -0.766 . . . . 2.0699999999999998 109.231 173.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 58.1 mtt -56.25 -40.62 74.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.156 -0.929 . . . . 0.25 111.299 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.656 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 58.2 t -67.93 -48.08 76.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.23999999999999999 110.722 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.38 -33.97 75.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.115 -0.493 . . . . 0.77000000000000002 111.241 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 22.9 t -76.97 -13.23 59.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.074 -0.512 . . . . 1.22 111.043 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 89.07 27.77 22.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.54000000000000004 112.984 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.693 ' HB3' HD13 ' A' ' 522' ' ' ILE . 39.3 m-85 -102.79 -38.0 7.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.768 0.318 . . . . 0.56000000000000005 110.953 177.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 92.3 t -125.46 145.36 32.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.145 -0.48 . . . . 0.17000000000000001 110.674 -176.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 44.1 t -83.98 140.07 32.14 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.083 -0.71 . . . . 0.42999999999999999 109.083 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.506 ' HB2' HG11 ' A' ' 541' ' ' VAL . 44.7 tt0 -61.79 -22.59 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.865 -0.607 . . . . 2.7200000000000002 111.69 -174.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -74.88 -13.2 82.65 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.817 -0.706 . . . . 0.32000000000000001 112.65 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 554' ' ' MET . 28.0 m-20 -117.2 20.13 13.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.455 0.645 . . . . 1.23 110.193 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -59.95 -43.4 95.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.098 -0.955 . . . . 0.23999999999999999 111.004 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.98 -41.37 99.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 2.8999999999999999 110.692 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 24.8 m -59.17 -46.29 88.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.901 -0.591 . . . . 0.34999999999999998 111.047 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.608 ' O ' HG13 ' A' ' 558' ' ' ILE . 21.5 mmt -70.9 -45.96 63.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.849 -0.614 . . . . 0.14000000000000001 110.956 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.5 76.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.17000000000000001 110.745 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -64.9 -43.71 91.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.007 -0.542 . . . . 1.8300000000000001 110.059 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.53 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.72 -45.91 88.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.09 0.471 . . . . 0.17999999999999999 110.267 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 554' ' ' MET . 57.6 mt -61.56 -51.83 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.267 -0.879 . . . . 0.17999999999999999 110.276 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -63.4 -37.2 86.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 2.2000000000000002 110.855 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 560' ' ' ASP . . . . . 0.579 ' OD1' ' HB3' ' A' ' 481' ' ' GLU . 26.6 t70 -65.12 -41.69 94.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 1.03 111.113 -175.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.428 ' NH2' ' HG ' ' A' ' 489' ' ' LEU . 8.4 tpt180 -69.74 -43.98 71.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.787 -0.365 . . . . 1.5700000000000001 110.143 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 558' ' ' ILE . 79.2 t -60.7 -36.3 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.989 -0.55 . . . . 0.23999999999999999 110.508 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 567' ' ' ARG . 23.5 t -58.65 -46.82 86.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.238 -0.437 . . . . 0.83999999999999997 110.147 176.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 568' ' ' LYS . 89.1 mt -64.24 -44.27 92.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.168 0.508 . . . . 1.7 110.462 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.443 HD13 ' CD1' ' A' ' 500' ' ' ILE . 87.7 mt -59.39 -48.89 85.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.267 -0.879 . . . . 0.57999999999999996 111.651 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 97.5 mttt -72.7 -33.97 66.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.82 -0.627 . . . . 0.88 111.418 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 563' ' ' SER . 13.4 tpt180 -54.43 -37.23 64.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.17 0.51 . . . . 3.0 110.93 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 564' ' ' LEU . 54.2 mttm -74.38 -23.2 58.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.655 -0.702 . . . . 3.4700000000000002 110.772 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -90.93 -25.98 19.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.048 -0.524 . . . . 3.0499999999999998 112.068 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 29.6 mm-40 -77.36 -77.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.428 0.529 . . . . 2.1600000000000001 112.428 -172.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -120.06 57.39 0.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.732 -0.387 . . . . 5.2800000000000002 111.768 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.442 -0.79 . . . . 8.0299999999999994 110.23 175.6 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 N-CA-C 112.173 -0.371 . . . . 9.5 112.173 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . 59.02 59.96 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.239 0.616 . . . . 7.3399999999999999 111.904 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 26.7 ptm -77.67 -22.8 50.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.904 -0.776 . . . . 10.949999999999999 108.904 172.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -126.56 149.36 67.75 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 114.845 -1.07 . . . . 6.7800000000000002 108.578 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.44 -8.78 0.15 Allowed 'Trans proline' 0 N--CA 1.477 0.538 0 C-N-CA 124.711 3.607 . . . . 7.4500000000000002 115.676 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -117.35 65.1 0.73 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.206 0.527 . . . . 7.3399999999999999 110.973 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -79.16 80.73 5.49 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.27 0.557 . . . . 6.0300000000000002 110.122 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -170.24 172.47 6.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.249 -0.887 . . . . 5.9199999999999999 109.159 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 1.7 m 64.02 87.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.544 0.528 . . . . 1.7 109.658 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -74.42 46.5 1.62 Allowed Glycine 0 C--N 1.334 0.45 0 CA-C-N 116.283 -0.417 . . . . 0.57999999999999996 113.684 -173.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.576 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -151.76 154.69 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 123.099 0.56 . . . . 0.35999999999999999 110.371 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 486' ' ' ARG . 26.4 tpt180 -155.5 154.86 32.46 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.845 -0.616 . . . . 2.96 109.358 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 59.3 t -126.83 134.69 65.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.749 0.309 . . . . 0.23000000000000001 110.472 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -130.04 159.24 37.32 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.707 -0.679 . . . . 2.0099999999999998 110.71 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.533 HD23 HD23 ' A' ' 502' ' ' LEU . 71.6 mt -80.62 134.77 35.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.37 110.662 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.51 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -83.68 -18.64 37.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.606 . . . . 0.42999999999999999 110.0 174.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.8 168.26 18.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.165 -0.925 . . . . 2.02 109.747 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -81.1 96.66 7.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.15 -0.477 . . . . 2.3599999999999999 110.343 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' ASP . . . . . 0.405 ' HB3' HD13 ' A' ' 489' ' ' LEU . 24.2 t70 -77.21 81.22 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.48 0.657 . . . . 1.3700000000000001 110.849 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -140.69 46.58 1.78 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.546 0.689 . . . . 3.3799999999999999 109.816 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -137.11 17.73 3.57 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.337 -0.847 . . . . 2.4500000000000002 112.187 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 55.81 41.86 29.7 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.911 0.862 . . . . 3.3500000000000001 109.227 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -67.12 140.51 57.56 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.31 -1.314 . . . . 1.75 111.18 -174.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 23.1 mm -88.54 -32.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.342 0.592 . . . . 0.68000000000000005 109.461 175.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -126.54 123.46 37.78 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.504 -0.771 . . . . 0.45000000000000001 110.531 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.43 ' CD1' HD13 ' A' ' 565' ' ' ILE . 10.8 pt -122.28 179.92 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.536 -0.756 . . . . 0.31 110.897 -174.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 41.1 ttmt -124.75 121.14 33.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.87 -0.605 . . . . 1.8100000000000001 109.393 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.533 HD23 HD23 ' A' ' 489' ' ' LEU . 29.7 mt -117.41 162.24 18.27 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.865 -0.607 . . . . 0.59999999999999998 110.623 -176.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.611 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.3 m95 -123.15 124.58 43.38 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.562 -0.533 . . . . 0.34000000000000002 109.562 168.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.641 HD21 ' SD ' ' A' ' 554' ' ' MET . 57.2 tp -78.26 96.86 5.36 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.133 -0.691 . . . . 0.28999999999999998 109.133 173.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.516 ' HG3' ' HB2' ' A' ' 521' ' ' ALA . 6.9 ttt180 -91.4 119.15 31.16 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.391 -0.822 . . . . 3.3300000000000001 109.933 -177.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.601 HG21 HG22 ' A' ' 509' ' ' ILE . 26.4 mm -75.16 115.86 17.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 116.238 -0.437 . . . . 0.51000000000000001 109.852 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.479 ' HG3' ' C ' ' A' ' 485' ' ' VAL . 5.8 mt-10 -75.81 -39.65 56.44 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.347 -0.388 . . . . 1.52 110.833 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 510' ' ' LYS . 11.5 t70 -151.45 112.78 4.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.284 -0.416 . . . . 0.70999999999999996 110.421 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.601 HG22 HG21 ' A' ' 506' ' ' ILE . 2.5 pp -76.31 -14.74 15.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.945 -0.571 . . . . 0.70999999999999996 112.441 -176.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LYS . . . . . 0.422 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 34.9 mmtp -75.41 -35.26 61.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 3.1499999999999999 110.506 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -66.8 -21.58 66.04 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.747 -0.66 . . . . 3.1899999999999999 111.619 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.424 HD11 HG23 ' A' ' 506' ' ' ILE . 45.4 mt -91.18 178.48 5.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.371 -0.377 . . . . 0.57999999999999996 110.327 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -135.71 74.44 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.399 0.619 . . . . 3.2999999999999998 110.347 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -171.91 -164.04 26.83 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.653 -0.703 . . . . 0.95999999999999996 111.416 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -97.11 89.23 4.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.094 0.473 . . . . 3.5299999999999998 110.596 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -123.91 146.11 48.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.586 -0.734 . . . . 0.72999999999999998 109.262 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' A' ' 519' ' ' ASN . 36.2 mtmm -107.04 148.2 29.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.655 0.264 . . . . 1.98 110.612 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -79.46 37.19 0.33 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.25 1.024 . . . . 2.29 110.652 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 517' ' ' LYS . 4.4 p-10 -164.13 24.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.709 -1.132 . . . . 2.5600000000000001 108.896 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.45 135.12 54.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.393 -0.821 . . . . 1.52 111.214 -171.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.516 ' HB2' ' HG3' ' A' ' 505' ' ' ARG . . . -136.45 138.63 41.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.13 -0.941 . . . . 0.42999999999999999 109.395 177.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 67.6 mt -102.69 101.87 12.78 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 115.549 -0.75 . . . . 0.39000000000000001 110.869 -175.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.611 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 24.9 tt0 -68.3 127.3 32.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.37 -0.832 . . . . 0.59999999999999998 110.375 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -149.13 141.24 23.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.365 -0.38 . . . . 0.23999999999999999 110.252 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 15.6 m -86.66 146.6 26.24 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.774 -0.454 . . . . 1.24 109.774 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -136.38 120.45 17.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.104 -0.638 . . . . 0.27000000000000002 111.079 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -88.35 116.1 26.33 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.694 -0.854 . . . . 0.57999999999999996 108.694 171.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.24 -6.71 30.89 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.134 -0.485 . . . . 0.51000000000000001 112.077 -172.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -112.65 -45.99 3.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.764 0.316 . . . . 2.1800000000000002 110.813 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 530' ' ' ARG . 53.1 mtp180 -82.38 -50.17 9.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.302 -0.408 . . . . 4.0999999999999996 111.984 -177.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.71 153.81 42.45 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.634 0.731 . . . . 0.60999999999999999 112.613 -171.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 77.5 t -126.87 127.6 24.39 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 114.53 -1.214 . . . . 0.28000000000000003 109.163 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 48.0 Cg_exo -57.51 -40.2 82.66 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.221 2.614 . . . . 0.23999999999999999 112.779 -175.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.65 -37.3 82.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.968 0.413 . . . . 2.3399999999999999 110.868 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.585 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 7.7 m-20 -70.39 -42.24 71.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.967 -0.56 . . . . 1.0900000000000001 110.761 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 532' ' ' VAL . 98.3 t -62.27 -38.49 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.28000000000000003 110.822 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.9 -20.31 65.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.401 -0.363 . . . . 0.17000000000000001 111.162 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -76.03 -39.1 56.36 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.938 -0.393 . . . . 1.0800000000000001 109.938 174.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -58.46 -41.49 85.3 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.835 -0.802 . . . . 2.0699999999999998 108.835 173.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 56.8 mtt -55.54 -43.13 75.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.594 -1.184 . . . . 0.25 111.451 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 537' ' ' ALA . 46.6 t -70.32 -43.86 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.23999999999999999 110.884 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.84 -31.34 72.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.445 -0.343 . . . . 0.77000000000000002 111.283 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.7 t -85.63 -3.12 58.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.225 -0.443 . . . . 1.22 111.083 -177.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 83.63 18.67 63.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.633 -0.794 . . . . 0.54000000000000004 113.293 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.557 ' HB3' HD13 ' A' ' 522' ' ' ILE . 54.5 m-85 -89.84 -42.53 11.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.115 0.483 . . . . 0.56000000000000005 110.44 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.553 HG11 ' HG3' ' A' ' 554' ' ' MET . 98.0 t -121.08 146.53 25.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.893 -0.594 . . . . 0.17000000000000001 110.631 -176.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 52.7 t -84.84 138.76 32.37 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.443 -0.947 . . . . 0.42999999999999999 108.443 172.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.488 ' HB2' HG11 ' A' ' 541' ' ' VAL . 33.2 tt0 -58.0 -20.93 42.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.612 -0.722 . . . . 2.7200000000000002 112.165 -171.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -76.54 -20.75 76.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.897 -0.668 . . . . 0.32000000000000001 112.856 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 554' ' ' MET . 50.7 m-20 -103.48 15.98 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.181 0.515 . . . . 1.23 109.959 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -57.75 -47.0 83.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.768 . . . . 0.23999999999999999 111.476 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.45 -39.7 94.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.87 0.367 . . . . 2.8999999999999999 110.272 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 58.9 m -60.7 -46.07 91.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.881 -0.6 . . . . 0.34999999999999998 111.105 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.641 ' SD ' HD21 ' A' ' 504' ' ' LEU . 23.1 mmt -67.09 -47.34 71.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.14000000000000001 110.814 -178.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.32 75.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 0.17000000000000001 110.942 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -66.51 -41.08 89.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.015 -0.539 . . . . 1.8300000000000001 110.162 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.576 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.2 -45.12 94.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.267 0.556 . . . . 0.17999999999999999 110.242 175.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 554' ' ' MET . 57.0 mt -61.58 -52.15 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 115.21 -0.904 . . . . 0.17999999999999999 109.932 177.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -60.68 -39.95 90.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.64 -0.709 . . . . 2.2000000000000002 111.112 -176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.72 -41.25 96.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 1.03 110.445 -177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.662 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.0 tpt180 -70.82 -46.06 63.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.223 -0.444 . . . . 1.5700000000000001 110.433 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 558' ' ' ILE . 90.8 t -60.46 -32.35 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 116.257 -0.429 . . . . 0.23999999999999999 110.351 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 40.7 t -58.59 -51.36 70.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.83999999999999997 110.867 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -71.13 -34.27 70.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.168 0.509 . . . . 1.7 110.694 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.43 HD13 ' CD1' ' A' ' 500' ' ' ILE . 85.5 mt -60.62 -48.22 89.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.66 -0.7 . . . . 0.57999999999999996 110.733 172.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.97 -24.64 65.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.88 111.101 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.567 ' HD3' ' O ' ' A' ' 567' ' ' ARG . 2.5 tmt_? -63.34 -31.67 72.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.338 -0.616 . . . . 3.0 109.338 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -65.12 -35.92 82.64 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.828 -0.623 . . . . 3.4700000000000002 110.011 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -75.27 -12.14 60.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.863 -0.608 . . . . 3.0499999999999998 111.686 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -80.22 56.59 2.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.243 0.544 . . . . 2.1600000000000001 111.017 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -94.89 155.58 16.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.635 -0.712 . . . . 5.2800000000000002 109.947 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.777 -0.63 . . . . 8.0299999999999994 109.965 178.677 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 111.984 -0.446 . . . . 9.5 111.984 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 482' ' ' GLU . . . 61.42 40.24 14.21 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.797 0.439 . . . . 7.3399999999999999 111.726 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.4 ttt -69.31 -33.92 73.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.412 0.625 . . . . 10.949999999999999 109.742 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -106.56 138.81 19.86 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.422 -0.808 . . . . 6.7800000000000002 109.329 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -61.1 56.16 0.1 OUTLIER 'Trans proline' 0 N--CA 1.478 0.592 0 C-N-CA 124.009 3.14 . . . . 7.4500000000000002 114.244 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -87.34 -43.83 11.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.905 0.383 . . . . 7.3399999999999999 110.239 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -176.33 121.33 0.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.011 -0.737 . . . . 6.0300000000000002 109.011 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 483' ' ' THR . 13.2 pt-20 -152.13 -57.06 0.14 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.698 0.285 . . . . 5.9199999999999999 110.851 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 482' ' ' GLU . 10.9 m -162.44 138.04 7.24 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.337 -0.986 . . . . 1.7 108.337 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.444 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -78.13 38.98 1.81 Allowed Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.642 -0.789 . . . . 0.57999999999999996 113.703 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.598 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -153.0 157.89 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 123.056 0.543 . . . . 0.35999999999999999 109.896 177.314 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -157.23 133.96 10.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.752 -0.658 . . . . 2.96 110.029 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 77.4 t -112.19 135.48 51.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.934 -0.576 . . . . 0.23000000000000001 111.107 -176.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.456 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 42.7 mt-10 -132.78 163.07 29.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.389 -0.823 . . . . 2.0099999999999998 110.535 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.58 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 77.8 mt -81.42 135.6 35.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 0.37 110.746 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -77.77 -24.49 48.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.713 0.768 . . . . 0.42999999999999999 109.277 171.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 12.6 pt-20 -138.05 155.52 48.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.674 -1.148 . . . . 2.02 108.945 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.15 126.1 30.32 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.052 -0.522 . . . . 2.3599999999999999 110.502 -175.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -90.36 120.84 31.82 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.115 -0.493 . . . . 1.3700000000000001 110.717 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -151.79 88.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.146 -0.479 . . . . 3.3799999999999999 110.468 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 146.87 -100.24 0.22 Allowed Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.507 -0.854 . . . . 2.4500000000000002 112.674 175.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -165.76 42.6 0.07 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.091 0.472 . . . . 3.3500000000000001 111.064 -171.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.13 129.29 39.67 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.872 -0.604 . . . . 1.75 109.834 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 30.7 mm -82.35 -27.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.434 0.635 . . . . 0.68000000000000005 109.68 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -133.82 120.2 20.16 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.44 -0.8 . . . . 0.45000000000000001 110.67 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 12.6 pt -115.8 -178.61 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.328 -0.851 . . . . 0.31 110.648 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -127.32 118.63 24.54 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.992 -0.549 . . . . 1.8100000000000001 109.888 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 489' ' ' LEU . 30.1 mt -118.56 155.42 30.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.715 -0.675 . . . . 0.59999999999999998 110.555 -177.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.708 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 32.1 m95 -118.83 121.6 40.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.924 -0.398 . . . . 0.34000000000000002 109.924 171.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.638 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 60.3 tp -79.25 94.32 5.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.937 -0.574 . . . . 0.28999999999999998 110.167 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.535 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 87.1 mtt180 -87.49 119.08 27.42 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.501 -0.772 . . . . 3.3300000000000001 110.53 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.444 HG23 HD11 ' A' ' 512' ' ' LEU . 39.1 mm -74.3 120.55 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.736 -0.665 . . . . 0.51000000000000001 110.214 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.444 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 17.0 mm-40 -87.5 -43.86 11.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.112 -0.494 . . . . 1.52 111.535 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -149.5 107.2 3.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.968 0.413 . . . . 0.70999999999999996 110.662 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.507 HG22 ' HB2' ' A' ' 516' ' ' TYR . 29.9 pt -75.9 -10.59 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 112.862 0.69 . . . . 0.70999999999999996 112.862 -177.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -73.29 -25.02 60.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.263 0.554 . . . . 3.1499999999999999 109.796 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -76.69 -27.73 55.63 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.229 -0.896 . . . . 3.1899999999999999 109.977 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.444 HD11 HG23 ' A' ' 506' ' ' ILE . 48.3 mt -90.87 155.11 19.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.383 -0.826 . . . . 0.57999999999999996 111.099 -174.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -96.81 -34.87 11.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.49 -0.777 . . . . 3.2999999999999998 109.802 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -70.5 179.67 29.15 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.529 -0.76 . . . . 0.95999999999999996 112.602 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.504 ' HD3' ' N ' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -101.03 115.45 30.52 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.225 -0.287 . . . . 3.5299999999999998 110.225 -177.495 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 516' ' ' TYR . . . . . 0.507 ' HB2' HG22 ' A' ' 509' ' ' ILE . 60.7 m-85 -139.57 162.57 34.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.019 0.437 . . . . 0.72999999999999998 110.821 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' A' ' 519' ' ' ASN . 27.1 mtpp -86.82 149.39 24.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.468 -0.787 . . . . 1.98 109.442 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.9 28.32 0.36 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.844 0.831 . . . . 2.29 110.77 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 517' ' ' LYS . 34.1 t-20 -167.49 41.08 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.348 -1.296 . . . . 2.5600000000000001 107.824 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 520' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 8.3 tp10 -91.6 148.26 22.41 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.92 -1.036 . . . . 1.52 109.607 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.638 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -148.77 113.64 5.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.548 0.689 . . . . 0.42999999999999999 110.498 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.545 HD13 ' HB3' ' A' ' 545' ' ' TYR . 98.3 mt -96.61 105.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.917 -1.038 . . . . 0.39000000000000001 110.41 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.708 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 14.3 tt0 -71.02 125.55 27.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.595 . . . . 0.59999999999999998 110.529 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 524' ' ' PHE . . . . . 0.431 ' CD2' HG11 ' A' ' 536' ' ' VAL . 39.4 p90 -142.61 148.39 37.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.269 -0.423 . . . . 0.23999999999999999 110.015 178.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 50.6 m -89.86 138.25 31.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.27 -0.641 . . . . 1.24 109.27 176.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' PHE . . . . . 0.454 ' CD2' HD23 ' A' ' 528' ' ' LEU . 32.2 t80 -122.6 110.82 16.02 Favored 'General case' 0 CA--C 1.508 -0.644 0 C-N-CA 120.34 -0.544 . . . . 0.27000000000000002 110.431 -176.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.447 ' CG ' ' HB3' ' A' ' 530' ' ' ARG . 9.0 t70 -83.83 117.05 23.04 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.741 -0.837 . . . . 0.57999999999999996 108.741 172.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' ' 526' ' ' PHE . 68.2 mt -72.84 -8.47 55.7 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.875 -0.602 . . . . 0.51000000000000001 111.756 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -112.85 -45.31 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.219 -0.446 . . . . 2.1800000000000002 110.665 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' ARG . . . . . 0.447 ' HB3' ' CG ' ' A' ' 527' ' ' ASP . 15.2 ttt180 -82.83 -50.23 8.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 4.0999999999999996 111.858 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 531' ' ' ASP . . . . . 0.428 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 38.4 m-20 -85.34 143.06 28.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.348 0.594 . . . . 0.60999999999999999 111.468 -171.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.492 HG13 ' HD2' ' A' ' 533' ' ' PRO . 55.3 t -113.4 138.57 22.53 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.106 -0.952 . . . . 0.28000000000000003 109.328 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.57 ' HG2' ' HG2' ' A' ' 559' ' ' LYS . 50.8 Cg_exo -47.12 -50.68 10.63 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.379 2.053 . . . . 0.23999999999999999 112.713 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 538' ' ' GLN . 43.6 mt-10 -67.06 -28.25 68.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.454 -0.339 . . . . 2.3399999999999999 111.588 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 26.5 t70 -70.38 -42.63 71.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.183 0.516 . . . . 1.0900000000000001 110.082 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.431 HG11 ' CD2' ' A' ' 524' ' ' PHE . 92.9 t -62.1 -42.13 93.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.56 -0.745 . . . . 0.28000000000000003 110.356 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.56 -29.15 70.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.176 -0.466 . . . . 0.17000000000000001 110.575 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 81.0 mm-40 -64.95 -45.99 83.41 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 110.009 -0.367 . . . . 1.0800000000000001 110.009 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 5.0 mm-40 -57.37 -45.08 84.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.191 -0.67 . . . . 2.0699999999999998 109.191 175.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.464 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.7 mtt -54.95 -45.68 74.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.156 -0.929 . . . . 0.25 111.194 177.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 537' ' ' ALA . 86.0 t -64.67 -50.26 76.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.585 . . . . 0.23999999999999999 110.88 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.35 -36.99 84.29 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.921 0.341 . . . . 0.77000000000000002 111.921 -174.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 49.0 m -74.25 -12.2 60.49 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.929 0.344 . . . . 1.22 111.929 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.4 16.4 34.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.375 -0.917 . . . . 0.54000000000000004 113.366 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.5 m-85 -91.37 -53.07 4.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.058 0.456 . . . . 0.56000000000000005 110.52 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 61.8 t -107.92 152.01 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.595 -0.73 . . . . 0.17000000000000001 110.888 -174.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 45.5 t -91.24 143.3 26.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.004 -0.739 . . . . 0.42999999999999999 109.004 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -16.0 51.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 2.7200000000000002 112.313 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -82.13 -14.6 76.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.804 -0.713 . . . . 0.32000000000000001 112.661 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 554' ' ' MET . 47.9 m-20 -113.56 15.36 18.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.801 0.334 . . . . 1.23 110.66 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -55.79 -48.71 74.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.021 -0.536 . . . . 0.23999999999999999 111.373 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -64.27 -39.54 94.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 2.8999999999999999 110.636 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 83.0 m -61.12 -49.7 76.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 0.34999999999999998 111.201 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.617 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.6 mmt -64.1 -46.68 83.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.526 . . . . 0.14000000000000001 110.667 -178.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.1 87.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.643 -0.708 . . . . 0.17000000000000001 111.233 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 556' ' ' LYS . 0.3 OUTLIER -64.31 -40.68 96.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.137 -0.69 . . . . 1.8300000000000001 109.137 179.259 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.598 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.41 -46.47 86.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.17999999999999999 110.114 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 554' ' ' MET . 60.2 mt -60.2 -51.35 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.144 -0.935 . . . . 0.17999999999999999 110.231 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.57 ' HG2' ' HG2' ' A' ' 533' ' ' PRO . 2.6 tmtp? -61.16 -46.72 89.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.06 -0.973 . . . . 2.2000000000000002 110.582 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.49 -40.31 65.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.134 -0.485 . . . . 1.03 111.392 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.698 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.5 tpt180 -72.7 -48.7 36.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 1.5700000000000001 110.408 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 558' ' ' ILE . 94.1 t -59.32 -35.18 56.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.091 -0.504 . . . . 0.23999999999999999 111.055 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 567' ' ' ARG . 22.0 t -60.33 -47.61 85.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.001 -0.545 . . . . 0.83999999999999997 110.591 178.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -73.38 -36.23 66.03 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.955 0.407 . . . . 1.7 110.49 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.52 -54.38 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.689 -0.687 . . . . 0.57999999999999996 111.098 173.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 97.9 mttt -68.66 -32.64 72.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 0.88 111.023 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 563' ' ' SER . 0.0 OUTLIER -56.85 -47.17 80.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 3.0 110.82 179.317 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -66.84 -33.01 74.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.008 -0.542 . . . . 3.4700000000000002 110.504 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -68.84 -24.01 64.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 3.0499999999999998 111.296 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 35.5 mm-40 -78.22 1.39 21.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.272 -0.422 . . . . 2.1600000000000001 110.936 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 57.08 38.58 29.23 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.528 0.68 . . . . 5.2800000000000002 109.325 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 . . . . . 0 C--O 1.247 0.956 0 CA-C-N 115.01 -0.996 . . . . 8.0299999999999994 110.125 -171.489 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 112.456 -0.258 . . . . 9.5 112.456 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.408 ' O ' ' HE3' ' A' ' 511' ' ' LYS . . . -95.4 -8.23 36.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.892 -0.181 . . . . 7.3399999999999999 111.148 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 84.4 mtp 71.95 -72.44 0.11 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.407 0.683 . . . . 10.949999999999999 110.695 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -119.62 145.56 39.41 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.132 -0.692 . . . . 6.7800000000000002 109.132 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -42.39 86.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 124.921 3.747 . . . . 7.4500000000000002 115.056 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -83.48 -62.44 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.9 -0.778 . . . . 7.3399999999999999 108.9 171.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -160.5 39.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.115 -1.069 . . . . 6.0300000000000002 108.115 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 62.68 -79.65 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.91 -1.041 . . . . 5.9199999999999999 109.836 -169.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.57 147.04 25.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.278 -0.419 . . . . 1.7 110.216 173.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -84.88 26.92 5.11 Favored Glycine 0 CA--C 1.508 -0.347 0 C-N-CA 120.479 -0.867 . . . . 0.57999999999999996 111.219 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.588 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.6 OUTLIER -150.15 156.18 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 114.76 -0.72 . . . . 0.35999999999999999 109.62 -178.117 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -164.11 132.75 3.66 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.51 0.671 . . . . 2.96 110.631 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.585 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 57.9 t -104.63 138.63 28.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 115.237 -0.892 . . . . 0.23000000000000001 109.978 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.8 157.8 41.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.189 -0.46 . . . . 2.0099999999999998 110.744 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.488 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 85.9 mt -79.91 129.87 34.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.542 -0.754 . . . . 0.37 110.416 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -71.45 -21.55 61.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.212 0.53 . . . . 0.42999999999999999 110.046 176.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 9.8 pt-20 -143.79 171.01 14.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.183 -0.917 . . . . 2.02 109.524 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.1 112.15 17.13 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.312 -0.404 . . . . 2.3599999999999999 110.565 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' ASP . . . . . 0.441 ' CG ' HH21 ' A' ' 569' ' ' ARG . 34.8 t70 -90.57 114.52 26.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.858 -0.61 . . . . 1.3700000000000001 111.784 -175.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -174.72 98.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 3.3799999999999999 110.761 175.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 154.44 -103.98 0.25 Allowed Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.245 -0.979 . . . . 2.4500000000000002 112.932 173.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -116.87 11.64 14.5 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.301 -0.449 . . . . 3.3500000000000001 110.919 -170.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -68.79 100.35 1.16 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.657 -0.701 . . . . 1.75 111.075 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' ILE . . . . . 0.412 HD12 ' CD ' ' A' ' 529' ' ' GLU . 18.5 mm -83.52 -43.29 18.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 107.865 -1.161 . . . . 0.68000000000000005 107.865 171.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -105.52 119.51 39.29 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.322 -1.308 . . . . 0.45000000000000001 110.044 176.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.4 pt -110.88 -177.66 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 115.279 -0.873 . . . . 0.31 110.835 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.4 ' HE2' ' OE2' ' A' ' 523' ' ' GLU . 74.3 tttt -130.02 112.86 13.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.344 -0.613 . . . . 1.8100000000000001 109.344 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.585 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 54.3 mt -116.44 153.24 32.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.549 . . . . 0.59999999999999998 111.469 -174.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.673 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.2 m95 -119.26 118.87 32.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.473 -0.566 . . . . 0.34000000000000002 109.473 169.301 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.508 HD21 ' SD ' ' A' ' 554' ' ' MET . 39.4 tp -78.11 107.0 10.37 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.093 -0.503 . . . . 0.28999999999999998 110.073 175.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -99.88 145.14 28.13 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.004 -0.544 . . . . 3.3300000000000001 110.285 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.568 HG21 HG22 ' A' ' 509' ' ' ILE . 23.7 mm -101.72 105.88 18.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.168 -0.469 . . . . 0.51000000000000001 111.031 -177.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -67.59 -41.74 83.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.861 -0.609 . . . . 1.52 111.324 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -142.52 102.16 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.081 0.467 . . . . 0.70999999999999996 110.407 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.568 HG22 HG21 ' A' ' 506' ' ' ILE . 2.8 pp -74.06 -17.1 17.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.771 -0.649 . . . . 0.70999999999999996 112.187 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -71.42 -27.93 63.64 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.733 0.301 . . . . 3.1499999999999999 111.263 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' LYS . . . . . 0.408 ' HE3' ' O ' ' A' ' 476' ' ' ALA . 68.3 mmtt -82.72 -4.43 57.86 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 120.784 0.326 . . . . 3.1899999999999999 111.607 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 26.6 mt -101.6 160.09 14.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.503 -0.317 . . . . 0.57999999999999996 110.464 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -120.32 67.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.067 0.46 . . . . 3.2999999999999998 110.758 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -158.75 -145.5 4.26 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.754 -0.736 . . . . 0.95999999999999996 111.939 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -117.39 83.36 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 3.5299999999999998 110.296 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -123.81 156.33 36.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 0.72999999999999998 109.865 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 519' ' ' ASN . 36.4 mtmm -122.36 157.67 31.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.646 -0.252 . . . . 1.98 110.442 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -77.87 37.22 0.23 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.974 0.893 . . . . 2.29 110.729 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 517' ' ' LYS . 6.5 p30 -166.63 33.58 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.46 -1.245 . . . . 2.5600000000000001 108.325 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.44 136.26 45.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.265 -0.879 . . . . 1.52 110.797 -171.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -144.87 138.52 27.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.477 -0.783 . . . . 0.42999999999999999 110.251 176.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.655 HD13 ' HB3' ' A' ' 545' ' ' TYR . 65.1 mt -121.73 105.24 16.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.418 -0.81 . . . . 0.39000000000000001 110.194 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.673 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 17.8 tt0 -76.41 122.8 25.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.754 -0.657 . . . . 0.59999999999999998 110.836 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -141.88 142.34 33.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.231 -0.44 . . . . 0.23999999999999999 110.218 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.2 m -88.22 129.78 35.26 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.497 -0.557 . . . . 1.24 109.497 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -120.88 115.12 22.62 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.597 -0.441 . . . . 0.27000000000000002 110.92 -173.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 9.8 t70 -81.3 113.01 19.13 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.841 -0.8 . . . . 0.57999999999999996 108.841 173.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.68 -14.08 60.52 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.26 0.467 . . . . 0.51000000000000001 112.26 -173.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.412 ' CD ' HD12 ' A' ' 498' ' ' ILE . 72.1 mt-10 -106.37 -39.4 5.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.588 0.232 . . . . 2.1800000000000002 111.113 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.57 -51.61 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.233 0.457 . . . . 4.0999999999999996 112.233 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 6.8 m-20 -69.15 150.06 47.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.391 0.615 . . . . 0.60999999999999999 111.872 -172.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 77.7 t -128.09 129.6 23.66 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 114.974 -1.012 . . . . 0.28000000000000003 109.892 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 86.6 Cg_exo -48.67 -52.05 9.26 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.85 2.366 . . . . 0.23999999999999999 113.065 -174.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.94 -28.95 69.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 2.3399999999999999 111.576 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.52 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 23.0 t70 -68.57 -46.83 68.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.163 0.506 . . . . 1.0900000000000001 109.685 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.2 t -62.37 -40.56 88.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.457 -0.792 . . . . 0.28000000000000003 111.036 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.88 -27.02 67.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.402 -0.363 . . . . 0.17000000000000001 111.078 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -70.78 -41.93 71.05 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.954 -0.387 . . . . 1.0800000000000001 109.954 173.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 36.4 mm-40 -58.01 -41.19 82.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.71 -0.677 . . . . 2.0699999999999998 109.492 174.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 55.8 mtt -58.93 -36.8 75.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.23 -0.895 . . . . 0.25 111.797 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.661 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 59.6 t -69.82 -38.84 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.039 -0.528 . . . . 0.23999999999999999 110.318 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.4 -34.0 61.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.865 -0.607 . . . . 0.77000000000000002 111.152 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 35.6 p -74.75 -21.08 59.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.115 -0.493 . . . . 1.22 111.391 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 98.08 17.49 29.66 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.762 -0.732 . . . . 0.54000000000000004 112.449 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.655 ' HB3' HD13 ' A' ' 522' ' ' ILE . 42.5 m-85 -90.94 -44.1 9.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.087 0.47 . . . . 0.56000000000000005 110.643 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 85.1 t -120.48 147.29 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.665 -0.698 . . . . 0.17000000000000001 110.399 -175.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 40.1 t -91.12 142.19 28.02 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.85 -0.796 . . . . 0.42999999999999999 108.85 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -55.02 -25.01 27.32 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.295 0.85 . . . . 2.7200000000000002 113.295 -170.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.04 -21.19 78.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.577 -0.821 . . . . 0.32000000000000001 112.748 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 554' ' ' MET . 45.2 m-20 -102.75 15.17 30.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.867 0.365 . . . . 1.23 110.677 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -56.27 -47.3 78.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.23999999999999999 111.593 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -64.75 -40.64 95.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.377 . . . . 2.8999999999999999 110.424 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' THR . . . . . 0.424 ' O ' HG21 ' A' ' 485' ' ' VAL . 56.1 m -61.12 -47.5 85.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.617 -0.72 . . . . 0.34999999999999998 111.211 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.508 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.9 mmt -66.11 -46.99 75.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.132 0.492 . . . . 0.14000000000000001 110.86 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.45 -33.84 74.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.502 -0.772 . . . . 0.17000000000000001 111.238 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -66.2 -40.18 90.18 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.386 -0.37 . . . . 1.8300000000000001 110.186 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.588 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.89 -45.23 95.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.38 0.61 . . . . 0.17999999999999999 110.25 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.508 ' O ' HG23 ' A' ' 562' ' ' VAL . 55.6 mt -60.47 -51.46 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 114.86 -1.064 . . . . 0.17999999999999999 109.963 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.29 -40.42 93.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.765 . . . . 2.2000000000000002 111.318 -176.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.68 -42.34 98.05 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.138 0.494 . . . . 1.03 110.051 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.667 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 0.4 OUTLIER -65.47 -53.03 48.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.598 . . . . 1.5700000000000001 110.674 177.003 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 558' ' ' ILE . 92.6 t -55.65 -37.18 45.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.232 -0.44 . . . . 0.23999999999999999 110.677 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 567' ' ' ARG . 47.6 t -55.47 -56.89 15.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.83999999999999997 110.668 176.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -66.73 -36.22 81.94 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.868 0.366 . . . . 1.7 110.785 -176.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 63.3 mt -53.77 -52.17 37.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.815 -0.629 . . . . 0.57999999999999996 110.619 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.577 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 96.3 mttt -69.96 -29.96 67.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.631 -0.713 . . . . 0.88 111.492 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 563' ' ' SER . 34.5 mmt180 -66.47 -35.44 80.29 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.582 0.229 . . . . 3.0 111.256 178.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 564' ' ' LEU . 66.0 mttm -62.32 -27.41 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.593 0.711 . . . . 3.4700000000000002 109.841 173.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.441 HH21 ' CG ' ' A' ' 493' ' ' ASP . 90.4 mtt180 -90.71 -9.71 45.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.118 -0.946 . . . . 3.0499999999999998 111.402 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 12.4 mm-40 -78.48 4.11 14.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 2.1600000000000001 111.688 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -74.55 -16.46 60.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.639 0.733 . . . . 5.2800000000000002 109.352 174.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 C--O 1.248 1.009 0 CA-C-N 114.946 -1.025 . . . . 8.0299999999999994 109.771 178.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.838 -0.505 . . . . 9.5 111.838 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -81.84 137.82 35.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.689 0.28 . . . . 7.3399999999999999 110.411 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -76.04 -15.91 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.27 0.557 . . . . 10.949999999999999 109.533 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -98.28 152.6 38.05 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.23 -0.896 . . . . 6.7800000000000002 109.638 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -39.48 123.24 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 124.018 3.146 . . . . 7.4500000000000002 112.895 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -51.37 112.89 0.82 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.655 -0.702 . . . . 7.3399999999999999 111.61 -175.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.83 114.43 27.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.55 -0.75 . . . . 6.0300000000000002 109.763 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.39 -21.8 63.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.809 -0.632 . . . . 5.9199999999999999 110.309 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.41 HG22 ' CG2' ' A' ' 485' ' ' VAL . 2.2 m -82.72 73.45 9.76 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.494 -0.775 . . . . 1.7 109.846 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.4 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -74.09 62.85 2.11 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 115.493 -0.776 . . . . 0.57999999999999996 113.034 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.608 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -148.68 161.78 5.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 122.861 0.464 . . . . 0.35999999999999999 110.774 177.092 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -163.2 137.05 5.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.865 -0.607 . . . . 2.96 110.254 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 50.5 t -112.98 137.62 45.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.903 -0.59 . . . . 0.23000000000000001 111.191 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.445 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 58.3 mt-10 -134.45 160.58 37.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.291 -0.868 . . . . 2.0099999999999998 110.719 -176.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.522 HD23 HD23 ' A' ' 502' ' ' LEU . 74.4 mt -80.26 140.29 36.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.875 -0.602 . . . . 0.37 110.288 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -86.45 -0.34 55.8 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.75 0.786 . . . . 0.42999999999999999 109.313 172.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.38 179.49 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.646 -1.161 . . . . 2.02 110.086 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -102.32 76.41 1.56 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.193 -0.458 . . . . 2.3599999999999999 109.985 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' ASP . . . . . 0.403 ' OD2' ' HB2' ' A' ' 497' ' ' LYS . 8.1 t0 -95.64 117.36 30.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.431 -0.35 . . . . 1.3700000000000001 110.806 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -142.54 19.41 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.765 -0.652 . . . . 3.3799999999999999 110.2 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 569' ' ' ARG . . . -119.0 -123.41 3.19 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.114 -1.041 . . . . 2.4500000000000002 113.014 -174.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -133.87 42.39 2.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.172 0.51 . . . . 3.3500000000000001 110.299 -175.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.403 ' HB2' ' OD2' ' A' ' 493' ' ' ASP . 9.6 mtpm? -76.82 143.16 39.95 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.509 0.671 . . . . 1.75 110.719 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 30.4 mm -88.83 -30.74 5.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.26 -0.882 . . . . 0.68000000000000005 110.211 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -128.78 134.02 48.25 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.101 -0.5 . . . . 0.45000000000000001 110.814 -176.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.438 ' CD1' HD13 ' A' ' 565' ' ' ILE . 11.8 pt -131.24 -177.4 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 115.552 -0.749 . . . . 0.31 110.769 -175.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 23.1 ttmm -130.75 121.33 25.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.809 -0.632 . . . . 1.8100000000000001 109.398 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.522 HD23 HD23 ' A' ' 489' ' ' LEU . 42.6 mt -116.65 157.6 25.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.144 -0.48 . . . . 0.59999999999999998 111.484 -175.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.724 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 38.7 m95 -121.2 120.07 34.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.34000000000000002 109.971 170.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.592 HD21 ' SD ' ' A' ' 554' ' ' MET . 51.1 tp -81.84 96.14 7.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.717 -0.674 . . . . 0.28999999999999998 109.802 175.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.561 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 35.5 mtm105 -85.3 135.75 33.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.085 -0.507 . . . . 3.3300000000000001 110.249 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.53 HG21 HG22 ' A' ' 509' ' ' ILE . 30.8 mm -91.41 118.03 35.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.033 -0.53 . . . . 0.51000000000000001 110.387 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.4 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.2 mm-40 -82.51 -41.99 18.98 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.074 -0.512 . . . . 1.52 111.692 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.593 ' CG ' ' HD3' ' A' ' 511' ' ' LYS . 11.5 t0 -143.63 102.0 3.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.071 0.463 . . . . 0.70999999999999996 111.078 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.53 HG22 HG21 ' A' ' 506' ' ' ILE . 2.9 pp -77.52 -6.51 9.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.267 0.84 . . . . 0.70999999999999996 113.267 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -75.46 -38.54 59.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.478 0.656 . . . . 3.1499999999999999 109.489 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' LYS . . . . . 0.593 ' HD3' ' CG ' ' A' ' 508' ' ' ASP . 14.1 mptt -64.82 -35.73 82.05 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.009 -0.996 . . . . 3.1899999999999999 111.402 177.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.07 144.21 30.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.884 -0.598 . . . . 0.57999999999999996 110.979 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -112.54 75.93 0.95 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.922 -0.581 . . . . 3.2999999999999998 110.119 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -167.32 -148.99 5.84 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.492 -0.643 . . . . 0.95999999999999996 111.492 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.14 101.52 10.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.041 0.448 . . . . 3.5299999999999998 110.095 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -142.21 169.28 17.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.723 -0.672 . . . . 0.72999999999999998 110.354 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' A' ' 519' ' ' ASN . 10.1 mtmp? -133.79 154.29 51.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.811 -0.631 . . . . 1.98 109.47 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -76.74 37.11 0.17 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.833 0.825 . . . . 2.29 110.629 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 517' ' ' LYS . 27.9 p30 -166.66 28.09 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.876 -1.056 . . . . 2.5600000000000001 109.084 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -97.68 139.77 33.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.306 -0.861 . . . . 1.52 110.817 -172.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.571 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -148.42 125.49 11.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.658 -0.701 . . . . 0.42999999999999999 110.486 176.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.538 HD13 ' HB3' ' A' ' 545' ' ' TYR . 95.7 mt -105.0 109.06 26.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.283 -0.871 . . . . 0.39000000000000001 110.568 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.724 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 20.2 tt0 -75.51 127.88 34.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.888 -0.597 . . . . 0.59999999999999998 110.351 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -146.74 140.97 26.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.933 -0.395 . . . . 0.23999999999999999 109.933 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 28.9 m -87.74 139.62 30.35 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.729 -0.471 . . . . 1.24 109.729 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 526' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 528' ' ' LEU . 27.6 t80 -130.14 115.66 17.35 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.236 -0.585 . . . . 0.27000000000000002 111.147 -171.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 531' ' ' ASP . 12.4 t70 -85.46 111.06 19.62 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.239 -1.023 . . . . 0.57999999999999996 108.239 171.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 526' ' ' PHE . 71.1 mt -62.99 -15.55 56.63 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.173 -0.467 . . . . 0.51000000000000001 112.184 -172.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -101.66 -43.87 5.74 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.978 -0.289 . . . . 2.1800000000000002 111.289 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -88.66 -42.48 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.39 0.515 . . . . 4.0999999999999996 112.39 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 527' ' ' ASP . 2.4 m-20 -74.67 139.29 43.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.562 0.696 . . . . 0.60999999999999999 111.906 -173.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 96.8 t -114.57 127.25 27.01 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 114.727 -1.124 . . . . 0.28000000000000003 108.259 174.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.447 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 34.2 Cg_exo -60.07 -37.24 85.67 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.878 2.386 . . . . 0.23999999999999999 112.526 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -63.53 -36.53 84.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.125 -0.489 . . . . 2.3399999999999999 110.619 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 539' ' ' GLU . 22.9 t70 -70.73 -42.14 70.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.843 -0.429 . . . . 1.0900000000000001 109.843 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.429 ' HA ' ' OE1' ' A' ' 539' ' ' GLU . 99.3 t -57.91 -48.99 82.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.28000000000000003 110.248 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.32 -18.81 64.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.17000000000000001 111.029 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.532 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 4.2 tp60 -81.65 -41.52 21.3 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.28 -0.637 . . . . 1.0800000000000001 109.28 176.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 535' ' ' ASP . 21.1 mt-10 -57.88 -41.17 81.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.743 -0.836 . . . . 2.0699999999999998 108.743 173.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 54.7 mtt -54.59 -42.47 71.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.409 -1.269 . . . . 0.25 111.145 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.638 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.0 t -68.99 -47.79 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.162 -0.472 . . . . 0.23999999999999999 110.794 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 542' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 44.1 mt-10 -63.7 -34.54 78.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.942 -0.572 . . . . 0.77000000000000002 111.718 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 45.6 m -89.53 7.2 37.44 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.895 0.332 . . . . 1.22 111.895 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 85.78 9.71 77.43 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.882 -0.675 . . . . 0.54000000000000004 114.079 172.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.538 ' HB3' HD13 ' A' ' 522' ' ' ILE . 86.2 m-85 -82.08 -55.59 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.263 0.554 . . . . 0.56000000000000005 110.672 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 79.4 t -111.54 149.08 14.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.514 -0.767 . . . . 0.17000000000000001 110.954 -173.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 51.8 t -85.94 141.75 29.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.007 -0.542 . . . . 0.42999999999999999 109.642 175.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.405 ' HB3' HG11 ' A' ' 541' ' ' VAL . 9.9 pt-20 -61.98 -20.43 63.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.64 -0.709 . . . . 2.7200000000000002 112.329 -173.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -77.78 -17.36 78.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.583 -0.818 . . . . 0.32000000000000001 112.361 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 554' ' ' MET . 7.3 m-20 -116.76 25.53 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.452 0.644 . . . . 1.23 110.509 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -58.01 -44.27 87.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.944 -1.026 . . . . 0.23999999999999999 110.479 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -66.54 -41.79 88.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 2.8999999999999999 110.865 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 20.8 m -56.72 -46.15 81.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.844 -0.616 . . . . 0.34999999999999998 110.882 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.592 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.6 mmt -68.62 -48.69 63.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.703 -0.68 . . . . 0.14000000000000001 110.917 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.38 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.89 -0.595 . . . . 0.17000000000000001 111.143 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 10.7 tmtt? -66.98 -44.4 80.52 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.415 -0.587 . . . . 1.8300000000000001 109.415 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.608 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.17 -45.69 87.05 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.28 0.562 . . . . 0.17999999999999999 110.141 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 554' ' ' MET . 40.0 mt -62.04 -48.0 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.112 -0.949 . . . . 0.17999999999999999 109.978 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -63.16 -38.66 92.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.654 -0.703 . . . . 2.2000000000000002 110.972 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.54 -40.81 97.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.03 110.462 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.7 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.2 tpt180 -73.36 -45.48 54.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.825 -0.625 . . . . 1.5700000000000001 110.51 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 558' ' ' ILE . 71.0 t -59.91 -36.28 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.652 -0.249 . . . . 0.23999999999999999 110.961 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 28.6 t -56.36 -49.9 73.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.114 -0.494 . . . . 0.83999999999999997 110.56 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -72.29 -38.3 68.8 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.533 -0.303 . . . . 1.7 110.313 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.438 HD13 ' CD1' ' A' ' 500' ' ' ILE . 70.6 mt -55.11 -54.36 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 0.57999999999999996 111.387 175.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 51.9 mttp -60.06 -35.86 76.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.889 -0.596 . . . . 0.88 110.88 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.568 ' HD3' ' O ' ' A' ' 567' ' ' ARG . 0.0 OUTLIER -71.66 -34.26 69.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.061 0.458 . . . . 3.0 109.905 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -66.66 -28.9 68.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 3.4700000000000002 110.584 175.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.535 ' HA ' ' O ' ' A' ' 495' ' ' GLY . 38.9 mtm180 -65.92 -24.6 66.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.686 -0.688 . . . . 3.0499999999999998 110.499 175.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' A' ' 567' ' ' ARG . 15.9 mt-10 -86.16 -11.2 53.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.55 -0.75 . . . . 2.1600000000000001 109.751 178.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -100.6 89.42 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.576 -0.738 . . . . 5.2800000000000002 110.486 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.478 -0.772 . . . . 8.0299999999999994 109.916 178.293 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 112.151 -0.379 . . . . 9.5 112.151 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -91.07 -31.87 16.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.575 0.226 . . . . 7.3399999999999999 111.419 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 15.1 tpt 68.89 -72.82 0.1 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.385 0.674 . . . . 10.949999999999999 111.325 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 478' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 5.9 p-10 -81.15 135.14 51.27 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.333 -0.617 . . . . 6.7800000000000002 109.333 177.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 479' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 95.5 Cg_exo -48.3 82.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 124.646 3.564 . . . . 7.4500000000000002 114.938 -175.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -120.55 -9.91 9.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.905 -0.588 . . . . 7.3399999999999999 109.923 174.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 56.83 77.4 0.26 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.153 -0.93 . . . . 6.0300000000000002 110.82 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' GLU . . . . . 0.43 ' HG3' ' NH2' ' A' ' 486' ' ' ARG . 32.3 tt0 -85.09 114.58 22.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.313 0.578 . . . . 5.9199999999999999 109.812 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.472 ' C ' ' H ' ' A' ' 485' ' ' VAL . 2.7 m -60.47 163.2 5.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.928 -1.033 . . . . 1.7 110.485 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -73.74 34.76 0.86 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 121.151 -0.547 . . . . 0.57999999999999996 112.932 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.568 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -155.53 153.9 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 C-N-CA 124.143 0.977 . . . . 0.35999999999999999 108.926 177.313 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.43 ' NH2' ' HG3' ' A' ' 482' ' ' GLU . 8.6 tpp180 -164.91 143.18 6.48 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.707 -0.479 . . . . 2.96 109.707 177.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.648 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 65.3 t -109.26 136.82 43.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.046 0.451 . . . . 0.23000000000000001 111.474 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.585 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 73.3 mm-40 -121.4 159.66 25.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.29 -0.868 . . . . 2.0099999999999998 109.839 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 502' ' ' LEU . 68.9 mt -81.67 139.01 35.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.189 -0.46 . . . . 0.37 109.971 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -82.35 -20.73 36.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.527 0.679 . . . . 0.42999999999999999 109.796 175.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.65 -169.27 2.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.076 -0.966 . . . . 2.02 109.132 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -105.94 89.25 3.02 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.858 -0.337 . . . . 2.3599999999999999 110.485 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 493' ' ' ASP . . . . . 0.464 ' H ' HD13 ' A' ' 489' ' ' LEU . 18.1 t70 -67.65 105.9 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 1.3700000000000001 111.016 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -131.68 -14.67 3.18 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.719 -0.673 . . . . 3.3799999999999999 110.668 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -90.59 4.21 82.02 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.053 -0.594 . . . . 2.4500000000000002 113.701 -172.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' GLU . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 569' ' ' ARG . 44.9 mt-10 59.81 48.7 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 122.215 1.007 . . . . 3.3500000000000001 109.445 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.407 ' O ' HD12 ' A' ' 528' ' ' LEU . 43.8 mtpt -68.52 147.09 52.49 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 113.52 -1.673 . . . . 1.75 110.736 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' ILE . . . . . 0.465 HG23 ' CB ' ' A' ' 529' ' ' GLU . 16.0 mm -79.39 -24.09 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-O 121.383 0.611 . . . . 0.68000000000000005 109.642 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -137.31 127.64 26.41 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.47 -0.786 . . . . 0.45000000000000001 110.469 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 14.0 pt -126.82 -178.1 2.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.017 -0.538 . . . . 0.31 111.335 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -123.83 115.78 21.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 1.8100000000000001 109.422 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.648 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 57.6 mt -115.32 159.77 20.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.0 -0.546 . . . . 0.59999999999999998 111.239 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.683 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 38.3 m95 -122.61 125.31 45.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.731 0.301 . . . . 0.34000000000000002 110.5 169.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.639 HD21 ' SD ' ' A' ' 554' ' ' MET . 23.8 tp -81.46 98.71 8.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.22 -0.446 . . . . 0.28999999999999998 110.263 176.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -84.31 137.04 33.66 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 120.837 -0.345 . . . . 3.3300000000000001 110.449 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.696 HG21 HG22 ' A' ' 509' ' ' ILE . 27.8 mm -90.41 108.87 20.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.904 -0.589 . . . . 0.51000000000000001 109.441 173.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -79.76 -38.2 33.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.273 -0.421 . . . . 1.52 110.842 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -151.47 111.3 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.095 -0.502 . . . . 0.70999999999999996 110.125 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.696 HG22 HG21 ' A' ' 506' ' ' ILE . 2.1 pp -74.66 -11.6 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.48 0.548 . . . . 0.70999999999999996 112.48 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -76.48 -22.04 55.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.366 0.603 . . . . 3.1499999999999999 110.247 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -73.95 -18.37 60.89 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.516 -0.765 . . . . 3.1899999999999999 110.754 174.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.557 HD11 HG23 ' A' ' 506' ' ' ILE . 27.8 mt -102.05 151.91 21.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.772 -0.649 . . . . 0.57999999999999996 111.6 -172.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -89.97 -26.48 20.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.256 -0.884 . . . . 3.2999999999999998 110.464 -176.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -84.18 -166.31 40.58 Favored Glycine 0 C--N 1.317 -0.515 0 CA-C-N 115.404 -0.816 . . . . 0.95999999999999996 112.578 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -111.58 110.85 21.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 3.5299999999999998 110.373 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -132.49 169.1 17.04 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.115 -0.698 . . . . 0.72999999999999998 109.115 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 35.0 mtmm -98.95 139.82 34.04 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.632 -0.507 . . . . 1.98 109.632 175.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.64 37.52 0.53 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.826 0.822 . . . . 2.29 110.64 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 517' ' ' LYS . 31.7 p30 -167.03 26.04 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.379 -1.282 . . . . 2.5600000000000001 108.947 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 520' ' ' GLU . . . . . 0.445 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 13.0 tt0 -111.34 143.81 41.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.113 -0.949 . . . . 1.52 111.102 -171.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.46 140.01 44.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.849 -0.614 . . . . 0.42999999999999999 110.631 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.644 HD13 ' HB3' ' A' ' 545' ' ' TYR . 96.8 mt -108.75 107.83 23.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.22 -0.9 . . . . 0.39000000000000001 110.601 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.683 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.1 tt0 -68.3 129.03 38.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 0.59999999999999998 110.877 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 524' ' ' PHE . . . . . 0.497 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 40.1 p90 -146.21 142.76 28.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.405 -0.362 . . . . 0.23999999999999999 110.072 176.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.4 m -84.57 143.2 29.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.17 -0.678 . . . . 1.24 109.17 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -131.93 115.76 16.28 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 119.722 -0.791 . . . . 0.27000000000000002 110.918 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.67 102.28 12.83 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.227 -1.027 . . . . 0.57999999999999996 108.227 171.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 497' ' ' LYS . 23.3 mt -61.93 -18.37 60.05 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.417 0.627 . . . . 0.51000000000000001 111.363 -174.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.465 ' CB ' HG23 ' A' ' 498' ' ' ILE . 33.8 tt0 -93.24 -43.32 8.88 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.125 -0.943 . . . . 2.1800000000000002 111.058 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -97.44 -46.65 5.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.898 0.703 . . . . 4.0999999999999996 112.898 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.6 146.77 46.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.747 0.784 . . . . 0.60999999999999999 112.431 -171.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 89.4 t -117.08 135.04 22.97 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.535 -1.211 . . . . 0.28000000000000003 108.681 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.36 -36.84 70.41 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.466 2.777 . . . . 0.23999999999999999 112.971 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -71.28 -33.07 69.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.452 -0.34 . . . . 2.3399999999999999 111.235 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 27.1 t70 -69.69 -43.92 71.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.048 0.451 . . . . 1.0900000000000001 110.081 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.42 HG11 ' CD2' ' A' ' 524' ' ' PHE . 88.8 t -63.88 -42.07 94.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.714 -0.676 . . . . 0.28000000000000003 110.629 177.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.73 -26.76 68.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.511 -0.313 . . . . 0.17000000000000001 110.582 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.524 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 57.2 mm-40 -66.79 -45.81 77.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.43 -0.35 . . . . 1.0800000000000001 110.236 173.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 539' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 29.0 mm-40 -59.15 -40.58 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 2.0699999999999998 109.676 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.476 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 55.8 mtt -55.3 -46.09 76.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.001 -1.0 . . . . 0.25 110.954 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.675 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 64.7 t -65.6 -49.93 74.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.23999999999999999 111.069 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.19 -36.5 84.25 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.131 0.419 . . . . 0.77000000000000002 112.131 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 54.0 m -81.94 -8.76 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.657 -0.417 . . . . 1.22 111.7 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 94.79 9.43 58.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.592 -0.813 . . . . 0.54000000000000004 113.773 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.644 ' HB3' HD13 ' A' ' 522' ' ' ILE . 82.5 m-85 -77.75 -43.5 30.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.294 0.568 . . . . 0.56000000000000005 110.102 177.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.675 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 81.9 t -122.84 147.85 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.102 -0.954 . . . . 0.17000000000000001 110.308 -175.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.4 ' O ' HG12 ' A' ' 546' ' ' VAL . 41.4 t -83.69 145.12 28.94 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.314 -0.625 . . . . 0.42999999999999999 109.314 174.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.17 -26.23 60.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 2.7200000000000002 111.1 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -71.2 -15.75 74.8 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.985 -0.626 . . . . 0.32000000000000001 112.462 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 554' ' ' MET . 68.4 m-20 -109.56 11.79 24.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.604 0.24 . . . . 1.23 111.056 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 551' ' ' HIS . . . . . 0.524 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 45.6 t-80 -56.98 -50.91 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.38 . . . . 0.23999999999999999 111.57 -177.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.18 -33.14 75.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.207 0.527 . . . . 2.8999999999999999 110.489 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 33.0 m -67.63 -47.23 70.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.227 -0.897 . . . . 0.34999999999999998 111.001 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.639 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.3 mmt -67.92 -42.1 81.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.14000000000000001 110.786 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.71 -33.73 70.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.625 -0.716 . . . . 0.17000000000000001 110.561 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -69.02 -44.96 71.7 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.924 -0.58 . . . . 1.8300000000000001 110.582 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -57.9 -46.02 85.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.435 . . . . 0.17999999999999999 110.35 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.497 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 80.2 mt -61.65 -50.76 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.284 -0.871 . . . . 0.17999999999999999 110.259 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -57.98 -44.11 86.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.981 -0.554 . . . . 2.2000000000000002 111.287 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -56.7 -47.81 79.08 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.826 0.346 . . . . 1.03 111.167 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.1 tpt180 -68.09 -44.44 76.24 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.82 -0.352 . . . . 1.5700000000000001 110.101 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 558' ' ' ILE . 75.4 t -60.47 -34.62 58.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.141 -0.481 . . . . 0.23999999999999999 111.089 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 71.1 m -62.03 -44.76 96.01 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 111.639 0.237 . . . . 0.83999999999999997 111.639 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -74.91 -31.8 61.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.347 0.594 . . . . 1.7 110.472 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 561' ' ' ARG . 78.1 mt -63.07 -51.94 65.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.323 -0.853 . . . . 0.57999999999999996 111.136 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 562' ' ' VAL . 97.3 mttt -64.12 -22.65 67.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.894 -0.593 . . . . 0.88 111.338 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.53 ' HB3' ' O ' ' A' ' 564' ' ' LEU . 22.4 tpt180 -55.91 -28.9 58.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.257 -0.429 . . . . 3.0 110.846 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -79.14 -28.86 42.88 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.779 0.323 . . . . 3.4700000000000002 110.293 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 496' ' ' GLU . 11.5 mpt_? -70.97 -22.08 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 3.0499999999999998 111.218 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -72.15 59.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 2.1600000000000001 111.812 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -85.67 145.7 27.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.245 -0.434 . . . . 5.2800000000000002 110.856 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.858 -0.591 . . . . 8.0299999999999994 109.563 179.333 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.704 -0.558 . . . . 9.5 111.704 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . 55.56 57.83 5.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.012 0.434 . . . . 7.3399999999999999 111.497 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.55 -51.42 62.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 10.949999999999999 110.346 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 4.9 p-10 -88.5 134.35 34.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.137 -0.483 . . . . 6.7800000000000002 109.969 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 479' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 36.0 Cg_exo -60.72 92.98 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 123.218 2.612 . . . . 7.4500000000000002 112.352 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -130.87 -63.59 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.579 . . . . 7.3399999999999999 109.585 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 483' ' ' THR . 9.1 tp10 61.2 96.42 0.03 OUTLIER 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.181 -0.918 . . . . 6.0300000000000002 110.549 -177.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.37 -33.87 76.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.659 -0.7 . . . . 5.9199999999999999 109.587 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.442 ' O ' ' HG3' ' A' ' 481' ' ' GLU . 0.2 OUTLIER -67.98 125.43 26.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.556 -0.747 . . . . 1.7 110.154 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -82.26 38.31 2.59 Favored Glycine 0 N--CA 1.455 -0.083 0 C-N-CA 120.524 -0.845 . . . . 0.57999999999999996 113.234 -176.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.551 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.7 OUTLIER -148.65 155.75 8.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 122.712 0.405 . . . . 0.35999999999999999 110.144 177.805 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.635 ' C ' ' HD2' ' A' ' 486' ' ' ARG . 2.0 tmm_? -164.8 136.21 4.24 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.327 -0.852 . . . . 2.96 109.05 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.545 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 65.0 t -109.24 136.54 44.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.659 -0.7 . . . . 0.23000000000000001 111.169 -176.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -120.71 163.61 17.83 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.142 -0.936 . . . . 2.0099999999999998 110.012 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 502' ' ' LEU . 66.7 mt -83.69 149.5 26.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.953 -0.567 . . . . 0.37 110.687 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.609 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -92.73 -2.0 56.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.42999999999999999 110.074 174.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -152.37 -177.87 6.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.925 -1.034 . . . . 2.02 109.629 -172.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -94.02 81.28 4.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.145 0.498 . . . . 2.3599999999999999 110.6 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' ASP . . . . . 0.529 ' HB3' HD13 ' A' ' 489' ' ' LEU . 22.3 t70 -73.86 111.56 9.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.796 -0.638 . . . . 1.3700000000000001 110.518 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -168.3 25.61 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.214 0.531 . . . . 3.3799999999999999 109.816 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -126.26 -124.92 2.81 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.426 -0.893 . . . . 2.4500000000000002 112.22 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -126.51 29.65 5.71 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.828 0.347 . . . . 3.3500000000000001 111.253 -173.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -81.09 128.64 33.96 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.11 0.481 . . . . 1.75 110.277 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 21.6 mm -86.59 -32.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.456 -0.793 . . . . 0.68000000000000005 109.747 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -112.4 122.75 48.6 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.448 -0.796 . . . . 0.45000000000000001 110.278 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.461 ' CD1' HD13 ' A' ' 565' ' ' ILE . 12.5 pt -116.94 175.61 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.524 -0.762 . . . . 0.31 111.264 -173.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.494 ' HD2' ' CG ' ' A' ' 523' ' ' GLU . 4.5 tppp? -119.89 118.66 31.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.654 -0.703 . . . . 1.8100000000000001 109.888 176.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 489' ' ' LEU . 48.5 mt -117.18 158.2 24.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.879 -0.6 . . . . 0.59999999999999998 110.94 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.712 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.3 m95 -125.4 117.36 23.53 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.651 -0.5 . . . . 0.34000000000000002 109.651 170.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.59 HD21 ' SD ' ' A' ' 554' ' ' MET . 38.0 tp -73.4 107.33 5.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.28999999999999998 110.49 178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 520' ' ' GLU . 60.8 mtt180 -98.19 129.01 44.96 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.192 -0.458 . . . . 3.3300000000000001 110.59 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.541 HG21 HG22 ' A' ' 509' ' ' ILE . 21.0 mm -82.75 114.47 23.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.065 -0.717 . . . . 0.51000000000000001 109.065 174.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.36 -37.39 57.34 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.846 -0.616 . . . . 1.52 110.569 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.459 ' OD1' ' HB2' ' A' ' 510' ' ' LYS . 16.0 t70 -150.26 109.69 3.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.515 -0.766 . . . . 0.70999999999999996 109.237 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.541 HG22 HG21 ' A' ' 506' ' ' ILE . 2.3 pp -73.89 -17.16 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.959 0.409 . . . . 0.70999999999999996 111.028 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LYS . . . . . 0.459 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 33.2 mmtp -70.99 -28.67 64.61 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.227 0.536 . . . . 3.1499999999999999 110.078 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -66.97 -18.04 65.2 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.41 -0.814 . . . . 3.1899999999999999 111.178 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.491 HD11 HG23 ' A' ' 506' ' ' ILE . 19.4 mt -103.89 163.29 12.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.087 -0.506 . . . . 0.57999999999999996 110.724 -175.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -105.57 7.62 32.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.011 -0.541 . . . . 3.2999999999999998 110.093 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -102.79 -175.14 26.87 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.616 -0.72 . . . . 0.95999999999999996 111.673 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -110.87 109.92 20.3 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.728 -0.471 . . . . 3.5299999999999998 109.728 -178.791 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 516' ' ' TYR . . . . . 0.432 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 78.6 m-85 -137.05 152.27 49.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.885 0.374 . . . . 0.72999999999999998 110.824 -175.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 519' ' ' ASN . 55.1 mtpt -74.44 144.9 44.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.728 -0.669 . . . . 1.98 109.765 174.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -78.9 36.54 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.171 0.986 . . . . 2.29 110.179 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' A' ' 517' ' ' LYS . 57.8 t30 -168.9 27.52 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.36 -1.291 . . . . 2.5600000000000001 108.238 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 520' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 5.4 tp10 -84.04 132.37 34.73 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.365 -0.834 . . . . 1.52 110.57 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.578 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.64 111.95 9.8 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.441 -0.8 . . . . 0.42999999999999999 110.189 176.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.63 HD13 ' HB3' ' A' ' 545' ' ' TYR . 63.1 mt -97.13 106.69 18.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 114.601 -1.181 . . . . 0.39000000000000001 110.688 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.712 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.2 tt0 -68.81 132.86 47.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.307 -0.406 . . . . 0.59999999999999998 111.022 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 524' ' ' PHE . . . . . 0.531 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 37.2 p90 -151.21 145.78 25.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.065 -0.516 . . . . 0.23999999999999999 110.189 175.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 52.1 m -90.81 142.01 28.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.965 -0.383 . . . . 1.24 109.965 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -131.2 115.37 16.26 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.51 -0.476 . . . . 0.27000000000000002 110.681 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 11.3 t70 -84.34 113.46 21.17 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.544 -0.91 . . . . 0.57999999999999996 108.544 171.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.33 -22.85 66.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.946 -0.57 . . . . 0.51000000000000001 112.188 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -103.03 -29.14 11.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.74 0.305 . . . . 2.1800000000000002 111.575 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -106.98 -44.04 4.5 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.785 0.661 . . . . 4.0999999999999996 112.785 -174.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.12 150.24 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.174 0.511 . . . . 0.60999999999999999 111.549 -175.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 71.7 t -120.4 133.07 23.96 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.406 -0.815 . . . . 0.28000000000000003 109.914 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.582 ' HG2' ' HG2' ' A' ' 559' ' ' LYS . 36.3 Cg_exo -55.27 -41.15 81.23 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.507 2.804 . . . . 0.23999999999999999 112.78 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -71.53 -32.88 68.66 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.236 -0.438 . . . . 2.3399999999999999 110.908 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 20.1 t70 -69.13 -47.52 64.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.301 -0.408 . . . . 1.0900000000000001 110.112 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.492 HG11 ' CD2' ' A' ' 524' ' ' PHE . 100.0 t -59.46 -41.7 85.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.28000000000000003 110.851 178.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -66.36 -25.73 66.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.17000000000000001 110.958 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -75.46 -40.34 57.57 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.716 0.293 . . . . 1.0800000000000001 110.268 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 49.4 mm-40 -57.31 -40.84 78.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.343 -0.614 . . . . 2.0699999999999998 109.343 172.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 537' ' ' ALA . 56.1 mtt -55.58 -45.38 77.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.022 -0.99 . . . . 0.25 110.975 175.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 537' ' ' ALA . 93.6 t -65.23 -51.17 68.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.839 -0.619 . . . . 0.23999999999999999 111.217 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.54 -33.01 74.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.77000000000000002 111.822 -175.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.7 m -83.39 -2.08 54.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.708 0.29 . . . . 1.22 111.435 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 84.97 28.79 30.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.797 -0.716 . . . . 0.54000000000000004 113.13 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.63 ' HB3' HD13 ' A' ' 522' ' ' ILE . 64.0 m-85 -98.45 -51.02 4.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.152 0.501 . . . . 0.56000000000000005 110.601 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.547 HG11 ' HG3' ' A' ' 554' ' ' MET . 71.6 t -115.93 150.15 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.315 -0.857 . . . . 0.17000000000000001 110.83 -172.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.1 t -83.92 141.08 31.53 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.205 -0.665 . . . . 0.42999999999999999 109.205 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -14.06 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.783 0.66 . . . . 2.7200000000000002 112.783 -173.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -90.86 -13.95 58.59 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.504 -0.855 . . . . 0.32000000000000001 112.499 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 554' ' ' MET . 15.9 m-20 -108.45 19.56 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.422 0.629 . . . . 1.23 110.128 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -60.28 -47.15 87.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.199 -0.909 . . . . 0.23999999999999999 110.983 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -56.28 -41.5 75.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 2.8999999999999999 110.959 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' THR . . . . . 0.414 HG21 ' CD2' ' A' ' 512' ' ' LEU . 35.4 m -65.69 -44.68 85.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.34999999999999998 111.166 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.59 ' SD ' HD21 ' A' ' 504' ' ' LEU . 23.6 mmt -69.59 -45.5 68.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.14000000000000001 111.18 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.92 74.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.17000000000000001 110.48 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -65.4 -42.27 92.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.402 -0.817 . . . . 1.8300000000000001 110.519 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.551 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -62.1 -45.53 93.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.218 0.532 . . . . 0.17999999999999999 110.488 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.531 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 86.1 mt -61.77 -49.41 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 115.294 -0.866 . . . . 0.17999999999999999 110.424 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.582 ' HG2' ' HG2' ' A' ' 533' ' ' PRO . 1.8 tmtt? -64.53 -44.26 91.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.706 -0.679 . . . . 2.2000000000000002 110.467 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.3 -50.5 64.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.126 -0.488 . . . . 1.03 111.238 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.657 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 6.7 tpt180 -64.17 -47.84 78.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.08 -0.509 . . . . 1.5700000000000001 110.657 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 558' ' ' ILE . 77.8 t -56.5 -32.97 37.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.764 -0.653 . . . . 0.23999999999999999 111.294 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 53.5 m -64.48 -43.87 92.79 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 111.959 0.355 . . . . 0.83999999999999997 111.959 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.1 pp -74.5 -32.3 62.48 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.618 0.723 . . . . 1.7 109.952 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.461 HD13 ' CD1' ' A' ' 500' ' ' ILE . 72.9 mt -61.43 -47.28 94.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 114.92 -1.036 . . . . 0.57999999999999996 111.069 173.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 94.6 mttt -70.48 -26.9 63.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 0.88 111.001 177.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 564' ' ' LEU . 24.2 tpt180 -55.23 -32.06 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 3.0 110.34 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 568' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 84.5 mttt -62.86 -59.71 4.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.639 -0.71 . . . . 3.4700000000000002 109.311 173.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -52.15 -40.89 62.04 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.287 -0.87 . . . . 3.0499999999999998 112.169 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 22.0 mm-40 -55.36 -30.0 59.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.842 -0.617 . . . . 2.1600000000000001 112.619 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -123.66 29.55 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.78 -0.368 . . . . 5.2800000000000002 111.813 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 93.3 mtt180 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.362 -0.828 . . . . 8.0299999999999994 110.235 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.908 -0.477 . . . . 9.5 111.908 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' ' 481' ' ' GLU . . . 61.18 58.33 2.24 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.095 0.474 . . . . 7.3399999999999999 111.423 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -73.48 -29.83 62.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.993 -0.549 . . . . 10.949999999999999 109.943 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' ASP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 481' ' ' GLU . 8.5 p-10 -105.32 140.72 21.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.867 -0.606 . . . . 6.7800000000000002 109.593 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -38.97 -59.25 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 124.715 3.61 . . . . 7.4500000000000002 115.242 -173.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -93.61 23.33 4.74 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 112.307 0.484 . . . . 7.3399999999999999 112.307 -171.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.477 ' HB3' ' HA ' ' A' ' 476' ' ' ALA . 0.7 OUTLIER -80.77 77.94 7.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.817 0.818 . . . . 6.0300000000000002 108.827 173.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -115.76 -60.64 1.85 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.649 -1.16 . . . . 5.9199999999999999 109.552 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 5.1 m -132.34 133.26 43.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.421 -0.809 . . . . 1.7 109.223 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.441 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -78.74 40.02 2.02 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 121.36 -0.448 . . . . 0.57999999999999996 113.653 -174.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -153.41 159.37 3.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 123.1 0.56 . . . . 0.35999999999999999 109.607 177.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.424 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 15.5 tpp180 -159.09 131.7 6.84 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.366 0.603 . . . . 2.96 110.289 177.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.594 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 46.4 t -104.13 137.1 34.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.411 -0.813 . . . . 0.23000000000000001 110.714 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.549 ' OE2' ' HD2' ' A' ' 505' ' ' ARG . 44.5 mt-10 -129.46 158.1 40.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.625 -0.716 . . . . 2.0099999999999998 110.517 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.535 HD23 HD23 ' A' ' 502' ' ' LEU . 76.3 mt -77.3 137.58 38.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.835 -0.621 . . . . 0.37 110.664 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.452 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -81.03 -18.32 47.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.41 0.624 . . . . 0.42999999999999999 110.221 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.445 ' OE2' ' HE2' ' A' ' 497' ' ' LYS . 10.0 pt-20 -141.5 168.65 19.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.277 -0.874 . . . . 2.02 109.776 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.43 115.21 14.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.215 -0.448 . . . . 2.3599999999999999 110.254 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' ASP . . . . . 0.436 ' HB3' HD13 ' A' ' 489' ' ' LEU . 28.5 t70 -106.79 95.24 5.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.187 0.518 . . . . 1.3700000000000001 111.405 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -141.04 1.43 1.64 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.725 -0.671 . . . . 3.3799999999999999 110.208 173.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -92.25 18.44 54.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.986 -0.626 . . . . 2.4500000000000002 112.801 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 56.51 45.15 22.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.884 0.849 . . . . 3.3500000000000001 109.981 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.445 ' HE2' ' OE2' ' A' ' 491' ' ' GLU . 21.7 mtpp -71.68 138.34 48.52 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.555 -1.202 . . . . 1.75 110.66 -175.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 25.2 mm -81.33 -32.47 12.09 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.628 0.728 . . . . 0.68000000000000005 109.475 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -126.02 121.99 34.57 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.033 -0.985 . . . . 0.45000000000000001 110.524 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.476 ' CD1' HD13 ' A' ' 565' ' ' ILE . 10.5 pt -118.25 -174.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.572 -0.74 . . . . 0.31 110.805 -174.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 30.2 ttpt -136.84 122.26 19.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.826 -0.625 . . . . 1.8100000000000001 109.952 177.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.594 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 28.1 mt -119.83 159.13 25.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.502 -0.772 . . . . 0.59999999999999998 110.967 -172.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.7 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.1 m95 -121.95 121.35 36.87 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.764 -0.458 . . . . 0.34000000000000002 109.764 169.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.615 HD21 ' SD ' ' A' ' 554' ' ' MET . 60.7 tp -78.88 96.19 5.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.123 -0.489 . . . . 0.28999999999999998 109.992 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.711 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 43.7 mtt180 -90.85 123.62 34.53 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.788 -0.642 . . . . 3.3300000000000001 110.43 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.584 HG21 HG22 ' A' ' 509' ' ' ILE . 18.8 mm -79.13 122.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.51000000000000001 110.175 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.441 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 6.9 mm-40 -86.12 -47.24 9.69 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.025 -0.534 . . . . 1.52 110.765 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.465 ' OD1' ' HG2' ' A' ' 511' ' ' LYS . 12.8 t70 -134.45 105.63 6.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.315 -0.402 . . . . 0.70999999999999996 110.188 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.584 HG22 HG21 ' A' ' 506' ' ' ILE . 2.0 pp -75.39 -9.23 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.70999999999999996 111.888 -177.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LYS . . . . . 0.404 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 35.5 mmtp -81.86 -29.92 32.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 3.1499999999999999 110.375 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' LYS . . . . . 0.465 ' HG2' ' OD1' ' A' ' 508' ' ' ASP . 74.2 mmtt -68.8 -10.8 58.79 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.865 -0.607 . . . . 3.1899999999999999 110.954 176.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.406 HD11 HG23 ' A' ' 506' ' ' ILE . 15.8 mt -111.34 156.21 21.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.57999999999999996 110.649 -175.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -102.06 -16.13 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 3.2999999999999998 111.157 -175.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -78.23 -154.73 7.48 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.752 -0.737 . . . . 0.95999999999999996 113.147 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 105.17 12.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.714 -0.476 . . . . 3.5299999999999998 109.714 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -136.73 149.09 47.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.987 0.422 . . . . 0.72999999999999998 110.53 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 49.3 mtmt -101.15 157.17 16.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.978 -0.555 . . . . 1.98 109.949 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -80.52 17.77 1.04 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.494 0.664 . . . . 2.29 111.73 -173.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -149.04 22.25 0.97 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.873 -1.058 . . . . 2.5600000000000001 109.073 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 16.0 tt0 -97.04 139.64 32.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 1.52 110.966 -173.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.711 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -143.55 132.13 22.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.199 -0.91 . . . . 0.42999999999999999 110.529 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.511 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 89.4 mt -103.99 104.31 16.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-N 115.418 -0.81 . . . . 0.39000000000000001 110.654 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.7 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 25.2 tt0 -71.25 128.49 36.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.59999999999999998 110.399 178.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' PHE . . . . . 0.41 ' CD2' HG11 ' A' ' 536' ' ' VAL . 39.9 p90 -149.41 140.95 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.174 -0.466 . . . . 0.23999999999999999 109.982 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 8.9 p -83.44 150.13 26.23 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.678 -0.49 . . . . 1.24 109.678 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -137.02 114.86 11.34 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.052 -0.659 . . . . 0.27000000000000002 110.955 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.18 110.13 18.28 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.581 -0.896 . . . . 0.57999999999999996 108.581 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.48 ' CD2' HG13 ' A' ' 562' ' ' VAL . 86.4 mt -63.57 -20.03 65.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.154 -0.475 . . . . 0.51000000000000001 112.113 -172.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -96.47 -46.97 6.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.433 -0.349 . . . . 2.1800000000000002 111.586 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -90.04 -38.24 13.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.053 0.761 . . . . 4.0999999999999996 113.053 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -83.59 152.93 24.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.493 0.663 . . . . 0.60999999999999999 112.041 -172.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 76.0 t -126.93 131.89 24.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.086 -0.961 . . . . 0.28000000000000003 109.718 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -54.2 -39.5 86.07 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.574 2.849 . . . . 0.23999999999999999 113.648 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.03 -25.26 59.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.667 0.27 . . . . 2.3399999999999999 111.198 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -72.51 -48.04 43.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.412 0.625 . . . . 1.0900000000000001 109.703 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 524' ' ' PHE . 97.8 t -62.48 -40.67 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.164 -0.925 . . . . 0.28000000000000003 111.169 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.28 -17.3 64.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.367 . . . . 0.17000000000000001 111.216 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -78.05 -40.7 37.91 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 110.129 -0.323 . . . . 1.0800000000000001 110.129 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -57.19 -41.7 79.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.997 -0.742 . . . . 2.0699999999999998 108.997 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.445 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 56.2 mtt -55.14 -42.09 72.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.844 -1.071 . . . . 0.25 111.335 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.6 t -70.2 -46.76 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 0.23999999999999999 111.039 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.09 -34.62 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.77000000000000002 111.636 -175.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 23.4 m -75.6 -9.6 58.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.66 0.267 . . . . 1.22 111.431 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 92.25 16.01 51.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.54000000000000004 113.041 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.46 ' HB3' HD13 ' A' ' 522' ' ' ILE . 44.2 m-85 -90.97 -52.44 4.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.344 0.592 . . . . 0.56000000000000005 110.889 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 73.2 t -111.64 148.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.463 -0.79 . . . . 0.17000000000000001 110.484 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.0 t -82.16 140.49 33.72 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.244 -0.65 . . . . 0.42999999999999999 109.244 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.459 ' HB2' HG11 ' A' ' 541' ' ' VAL . 13.3 tm-20 -56.32 -32.33 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 2.7200000000000002 110.694 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.92 -32.65 84.91 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.7 -0.762 . . . . 0.32000000000000001 112.216 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -89.16 7.88 32.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.367 . . . . 1.23 111.026 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -54.99 -39.4 68.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.04 -0.527 . . . . 0.23999999999999999 111.376 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' LYS . . . . . 0.538 ' HD3' ' H ' ' A' ' 552' ' ' LYS . 0.1 OUTLIER -66.72 -43.61 83.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.04 0.447 . . . . 2.8999999999999999 110.483 -177.251 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 59.3 m -65.1 -44.98 87.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.312 -0.858 . . . . 0.34999999999999998 111.051 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.615 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.4 mmt -67.41 -47.03 71.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.963 -0.562 . . . . 0.14000000000000001 110.938 -177.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.79 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.17000000000000001 110.753 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.44 ' O ' ' HD2' ' A' ' 556' ' ' LYS . 0.0 OUTLIER -72.78 -37.6 67.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.379 -0.6 . . . . 1.8300000000000001 109.379 177.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.61 -46.93 88.4 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.17 0.509 . . . . 0.17999999999999999 109.844 174.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 554' ' ' MET . 59.1 mt -59.89 -53.62 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 114.997 -1.001 . . . . 0.17999999999999999 110.026 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -61.03 -40.35 93.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.849 -0.614 . . . . 2.2000000000000002 111.032 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 9.2 t0 -54.96 -52.83 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 1.03 110.296 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -67.16 -47.78 69.98 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.407 -0.815 . . . . 1.5700000000000001 110.813 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 558' ' ' ILE . 79.2 t -58.15 -39.34 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.969 -0.559 . . . . 0.23999999999999999 111.394 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.0 t -62.06 -40.93 97.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.263 -0.426 . . . . 0.83999999999999997 110.217 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 76.2 mt -68.79 -38.97 80.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.387 0.613 . . . . 1.7 110.319 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.476 HD13 ' CD1' ' A' ' 500' ' ' ILE . 81.3 mt -60.09 -44.16 94.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.121 -0.945 . . . . 0.57999999999999996 110.967 176.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -71.35 -33.27 69.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.584 -0.735 . . . . 0.88 110.984 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.452 ' HD3' ' O ' ' A' ' 567' ' ' ARG . 0.1 OUTLIER -63.59 -34.55 78.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.667 -0.494 . . . . 3.0 109.667 177.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.84 -40.54 93.24 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.876 -0.602 . . . . 3.4700000000000002 109.859 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -70.5 -23.81 62.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.866 -0.606 . . . . 3.0499999999999998 112.343 177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -76.27 -11.72 59.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.186 0.517 . . . . 2.1600000000000001 110.666 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -128.84 -160.26 1.02 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.564 -0.902 . . . . 5.2800000000000002 108.564 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.487 -0.768 . . . . 8.0299999999999994 110.252 176.441 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 112.646 -0.181 . . . . 9.5 112.646 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -176.87 179.73 1.03 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.016 -0.735 . . . . 7.3399999999999999 109.016 177.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 60.7 ttp -70.9 -59.45 2.79 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.343 -0.984 . . . . 10.949999999999999 108.343 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -72.99 142.85 83.33 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.885 -1.052 . . . . 6.7800000000000002 109.596 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.67 54.01 0.07 OUTLIER 'Trans proline' 0 N--CA 1.48 0.713 0 C-N-CA 124.396 3.397 . . . . 7.4500000000000002 114.438 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -130.82 57.43 1.74 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.207 -0.664 . . . . 7.3399999999999999 109.207 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.505 ' H ' ' CD ' ' A' ' 481' ' ' GLU . 3.7 mp0 -40.6 99.28 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 114.166 -1.379 . . . . 6.0300000000000002 112.561 -177.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -94.62 -47.64 6.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.219 -0.446 . . . . 5.9199999999999999 110.331 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.433 ' HB ' HG23 ' A' ' 485' ' ' VAL . 0.1 OUTLIER -162.65 -38.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.397 0.618 . . . . 1.7 111.131 -178.137 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 94.68 3.34 62.62 Favored Glycine 0 CA--C 1.504 -0.601 0 N-CA-C 110.233 -1.147 . . . . 0.57999999999999996 110.233 -171.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.63 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -149.04 154.62 9.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.465 -0.868 . . . . 0.35999999999999999 109.85 -179.442 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -156.97 135.63 11.55 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.344 0.593 . . . . 2.96 110.646 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 47.2 t -109.69 136.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.375 -0.829 . . . . 0.23000000000000001 110.555 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.442 ' OE2' ' HD2' ' A' ' 505' ' ' ARG . 39.5 mt-10 -132.83 162.16 32.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.395 -0.821 . . . . 2.0099999999999998 110.161 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 84.8 mt -84.11 141.49 31.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.976 -0.556 . . . . 0.37 111.675 -174.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -88.83 -11.31 45.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.576 -0.738 . . . . 0.42999999999999999 109.478 171.2 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.562 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 13.2 pt-20 -154.43 167.48 29.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.113 -0.949 . . . . 2.02 109.457 -176.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.79 122.59 23.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.463 -0.335 . . . . 2.3599999999999999 110.568 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -74.66 86.1 2.14 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 121.735 0.779 . . . . 1.3700000000000001 111.246 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.72 -54.24 46.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.971 -1.013 . . . . 3.3799999999999999 111.474 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 122.96 -33.34 4.1 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.492 -0.861 . . . . 2.4500000000000002 113.175 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -74.67 -19.51 60.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.655 0.741 . . . . 3.3500000000000001 109.32 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.534 ' HE2' ' OE1' ' A' ' 491' ' ' GLU . 25.7 mtpp -61.5 135.96 57.85 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 114.647 -1.161 . . . . 1.75 110.886 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 36.6 mm -91.5 -39.58 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 109.317 -0.623 . . . . 0.68000000000000005 109.317 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 499' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -120.31 121.43 38.62 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.44 -0.8 . . . . 0.45000000000000001 110.992 -177.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.54 ' CD1' HD13 ' A' ' 565' ' ' ILE . 14.9 pt -114.6 -177.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.404 -0.816 . . . . 0.31 110.488 -177.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.517 ' HD2' ' CG ' ' A' ' 523' ' ' GLU . 4.0 tppp? -123.29 121.84 36.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.254 -0.43 . . . . 1.8100000000000001 110.421 177.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.54 HD23 HD23 ' A' ' 489' ' ' LEU . 25.9 mt -119.66 157.84 27.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.712 -0.676 . . . . 0.59999999999999998 110.483 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.629 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.3 m95 -121.76 128.88 52.24 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.765 -0.458 . . . . 0.34000000000000002 109.765 170.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.591 HD21 ' SD ' ' A' ' 554' ' ' MET . 57.1 tp -89.9 109.06 20.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.28999999999999998 110.672 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.527 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 58.3 mtt85 -102.76 140.53 36.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.237 -0.438 . . . . 3.3300000000000001 110.567 177.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.456 HG21 HG22 ' A' ' 509' ' ' ILE . 20.2 mm -93.66 126.78 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.366 -0.379 . . . . 0.51000000000000001 110.607 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -87.0 -29.45 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.928 -0.578 . . . . 1.52 111.007 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.443 ' CG ' ' HG2' ' A' ' 511' ' ' LYS . 23.3 t0 -147.06 90.59 1.91 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.98 -0.554 . . . . 0.70999999999999996 110.029 -177.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.456 HG22 HG21 ' A' ' 506' ' ' ILE . 2.5 pp -73.53 -10.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.299 -0.409 . . . . 0.70999999999999996 111.136 -177.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.16 -25.94 36.45 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.992 -0.549 . . . . 3.1499999999999999 111.144 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' LYS . . . . . 0.443 ' HG2' ' CG ' ' A' ' 508' ' ' ASP . 46.0 mmtm -83.46 -24.2 31.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.894 0.378 . . . . 3.1899999999999999 111.255 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 36.1 mt -81.71 159.19 23.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.942 -0.572 . . . . 0.57999999999999996 110.394 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -112.12 66.32 0.64 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.688 0.756 . . . . 3.2999999999999998 109.492 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.21 -170.62 25.04 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.033 -0.985 . . . . 0.95999999999999996 110.731 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -106.48 101.66 11.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.165 0.483 . . . . 3.5299999999999998 110.784 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -136.03 145.66 46.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.628 -0.714 . . . . 0.72999999999999998 109.733 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.473 ' C ' ' H ' ' A' ' 519' ' ' ASN . 9.1 mptt -90.98 156.58 17.85 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.234 -0.654 . . . . 1.98 109.234 176.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.93 35.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.85 0.833 . . . . 2.29 110.709 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 517' ' ' LYS . 27.3 t-20 -174.95 37.21 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.543 -1.208 . . . . 2.5600000000000001 108.09 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -105.22 135.12 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.343 -0.844 . . . . 1.52 109.986 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.96 118.93 16.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.72 -0.673 . . . . 0.42999999999999999 110.58 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.579 HD13 ' HB3' ' A' ' 545' ' ' TYR . 95.0 mt -95.14 105.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 114.922 -1.035 . . . . 0.39000000000000001 110.484 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.629 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 19.6 tt0 -72.27 126.74 30.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.141 -0.481 . . . . 0.59999999999999998 110.267 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 524' ' ' PHE . . . . . 0.466 ' CD2' HG11 ' A' ' 536' ' ' VAL . 36.3 p90 -146.28 145.1 30.24 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.948 -0.39 . . . . 0.23999999999999999 109.948 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 32.5 p -88.94 149.53 23.27 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.699 -0.482 . . . . 1.24 109.699 176.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 526' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 29.4 t80 -130.29 116.61 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.412 -0.515 . . . . 0.27000000000000002 110.707 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.461 ' HB3' ' H ' ' A' ' 531' ' ' ASP . 10.7 t70 -84.58 109.42 17.94 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.807 -0.812 . . . . 0.57999999999999996 108.807 173.254 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.449 HD23 ' CD1' ' A' ' 526' ' ' PHE . 59.7 mt -68.16 -9.03 43.67 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.863 -0.608 . . . . 0.51000000000000001 112.209 -172.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -105.78 -50.44 3.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.347 . . . . 2.1800000000000002 110.944 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -86.37 -50.38 6.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.537 0.569 . . . . 4.0999999999999996 112.537 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' ASP . . . . . 0.461 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 51.3 m-20 -72.32 147.82 45.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.325 0.583 . . . . 0.60999999999999999 111.388 -173.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.407 HG13 ' HD2' ' A' ' 533' ' ' PRO . 70.3 t -120.41 140.27 29.99 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.289 -0.869 . . . . 0.28000000000000003 109.098 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.407 ' HD2' HG13 ' A' ' 532' ' ' VAL . 72.9 Cg_exo -51.94 -49.1 18.43 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.063 1.842 . . . . 0.23999999999999999 112.249 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.71 -30.21 70.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.412 -0.358 . . . . 2.3399999999999999 111.453 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.14 -46.01 62.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.117 0.484 . . . . 1.0900000000000001 110.143 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.71 ' O ' ' HG3' ' A' ' 539' ' ' GLU . 89.2 t -64.43 -37.37 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.28000000000000003 110.42 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.0 -14.52 62.97 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.601 -0.44 . . . . 0.17000000000000001 110.938 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.41 ' HG2' ' NE2' ' A' ' 551' ' ' HIS . 9.8 mm100 -84.81 -42.41 15.16 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.827 -0.169 . . . . 1.0800000000000001 110.692 174.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 539' ' ' GLU . . . . . 0.71 ' HG3' ' O ' ' A' ' 536' ' ' VAL . 0.0 OUTLIER -67.0 -28.92 68.65 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.527 -0.545 . . . . 2.0699999999999998 109.527 176.855 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 52.5 mtt -58.67 -45.75 88.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.431 -0.804 . . . . 0.25 110.469 170.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 537' ' ' ALA . 86.1 t -65.2 -50.26 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.473 -0.785 . . . . 0.23999999999999999 110.936 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.31 -36.05 74.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.31 -0.404 . . . . 0.77000000000000002 111.449 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 20.2 m -80.87 -1.51 43.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.4 -0.364 . . . . 1.22 111.535 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 88.54 0.7 81.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.952 -0.642 . . . . 0.54000000000000004 113.537 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.579 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.8 m-85 -70.54 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.169 0.509 . . . . 0.56000000000000005 110.568 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.616 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 95.8 t -101.05 148.28 7.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.615 -0.721 . . . . 0.17000000000000001 110.294 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 37.9 t -90.27 139.01 31.07 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.335 -0.987 . . . . 0.42999999999999999 108.335 173.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.589 ' HB2' HG11 ' A' ' 541' ' ' VAL . 34.3 tt0 -66.55 -11.72 54.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.277 0.473 . . . . 2.7200000000000002 112.277 -168.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -79.13 -17.63 76.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.781 -0.723 . . . . 0.32000000000000001 112.038 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -113.28 24.31 12.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.531 0.681 . . . . 1.23 109.549 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' HIS . . . . . 0.41 ' NE2' ' HG2' ' A' ' 538' ' ' GLN . 18.4 t-80 -61.92 -44.87 95.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.87 -1.059 . . . . 0.23999999999999999 111.631 -176.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -67.72 -39.7 84.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.292 . . . . 2.8999999999999999 110.87 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 69.5 m -56.74 -45.67 81.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.817 -0.629 . . . . 0.34999999999999998 110.917 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.591 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.8 mmt -67.58 -47.45 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.514 . . . . 0.14000000000000001 110.833 -178.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -59.46 -37.52 78.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.606 -0.724 . . . . 0.17000000000000001 111.368 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.54 -40.06 92.48 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.128 -0.487 . . . . 1.8300000000000001 110.108 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.63 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -59.67 -46.46 88.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.327 0.584 . . . . 0.17999999999999999 110.185 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 554' ' ' MET . 59.0 mt -59.83 -52.33 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.905 -1.043 . . . . 0.17999999999999999 110.33 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.08 -39.18 88.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.851 -0.613 . . . . 2.2000000000000002 111.081 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.04 -35.58 81.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 1.03 110.89 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 561' ' ' ARG . 8.4 tpt180 -76.31 -45.6 31.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.904 0.383 . . . . 1.5700000000000001 110.403 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 558' ' ' ILE . 95.9 t -59.38 -27.75 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.748 -0.66 . . . . 0.23999999999999999 110.511 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.59 ' O ' ' HG2' ' A' ' 567' ' ' ARG . 22.8 t -56.76 -51.11 70.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.497 . . . . 0.83999999999999997 110.444 174.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.23 -38.7 90.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.547 0.689 . . . . 1.7 110.762 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.54 HD13 ' CD1' ' A' ' 500' ' ' ILE . 57.4 mt -68.77 -45.85 80.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.124 -0.944 . . . . 0.57999999999999996 111.411 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 94.5 mttt -67.84 -24.26 65.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.139 -0.482 . . . . 0.88 111.594 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 563' ' ' SER . 33.7 mmt180 -58.79 -34.27 71.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.779 0.323 . . . . 3.0 110.944 176.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -77.86 -32.41 51.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 3.4700000000000002 110.087 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' A' ' 569' ' ' ARG . 4.7 mtp85 -69.72 -35.23 74.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.688 -0.687 . . . . 3.0499999999999998 110.812 176.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 30.8 mm-40 -65.19 -25.59 67.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.744 -0.662 . . . . 2.1600000000000001 110.717 176.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 75.05 -53.76 0.66 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.321 -0.854 . . . . 5.2800000000000002 111.05 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 . . . . . 0 C--N 1.307 -1.248 0 CA-C-N 115.404 -0.816 . . . . 8.0299999999999994 109.639 177.362 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.899 -0.481 . . . . 9.5 111.899 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -103.15 82.08 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.91 0.386 . . . . 7.3399999999999999 110.383 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -60.28 -45.16 94.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 10.949999999999999 110.724 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 478' ' ' ASP . . . . . 0.473 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 6.2 p-10 -71.72 128.48 89.59 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.66 -0.496 . . . . 6.7800000000000002 109.66 175.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 479' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 51.8 Cg_exo -58.41 84.02 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.726 2.95 . . . . 7.4500000000000002 113.253 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -125.28 -9.24 6.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.161 -0.472 . . . . 7.3399999999999999 110.655 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 54.46 87.12 0.05 OUTLIER 'General case' 0 C--O 1.231 0.101 0 O-C-N 123.785 0.678 . . . . 6.0300000000000002 110.913 -176.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' GLU . . . . . 0.465 ' HG3' HH21 ' A' ' 486' ' ' ARG . 12.0 tp10 -78.92 60.99 3.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.946 -0.57 . . . . 5.9199999999999999 109.976 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.6 m 70.58 -23.03 0.17 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.843 -0.617 . . . . 1.7 112.062 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 482' ' ' GLU . . . 98.92 -0.63 57.66 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.104 -0.799 . . . . 0.57999999999999996 111.104 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.566 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 1.2 m -142.86 154.24 17.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.321 -0.439 . . . . 0.35999999999999999 111.229 178.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.465 HH21 ' HG3' ' A' ' 482' ' ' GLU . 13.8 tpp180 -158.87 133.93 8.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.637 0.732 . . . . 2.96 111.464 177.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 43.5 t -109.74 134.98 50.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.176 -0.92 . . . . 0.23000000000000001 110.217 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.418 ' OE1' ' HD2' ' A' ' 505' ' ' ARG . 44.6 mt-10 -130.78 156.78 44.4 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.734 -0.666 . . . . 2.0099999999999998 110.706 -176.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 43.3 mt -79.8 133.48 36.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.765 -0.652 . . . . 0.37 110.635 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.579 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -81.0 -18.51 46.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.547 0.689 . . . . 0.42999999999999999 109.679 174.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 11.2 pt-20 -137.66 156.67 47.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.577 -1.192 . . . . 2.02 109.055 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 492' ' ' GLU . . . . . 0.404 ' H ' ' HG2' ' A' ' 492' ' ' GLU . 7.4 pt-20 -69.36 115.71 8.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.931 -0.577 . . . . 2.3599999999999999 110.378 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.14 136.14 56.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.137 0.494 . . . . 1.3700000000000001 110.729 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 494' ' ' ASP . . . . . 0.659 ' H ' ' HD2' ' A' ' 497' ' ' LYS . 36.5 m-20 -104.0 -15.79 15.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.215 -0.902 . . . . 3.3799999999999999 110.372 -173.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 495' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 569' ' ' ARG . . . 109.28 -69.88 0.21 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.347 -0.93 . . . . 2.4500000000000002 113.144 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -83.29 26.31 0.66 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.491 0.662 . . . . 3.3500000000000001 111.046 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.659 ' HD2' ' H ' ' A' ' 494' ' ' ASP . 26.2 mtpp -77.1 137.48 38.95 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.613 -0.721 . . . . 1.75 110.378 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 40.8 mm -97.59 -35.95 5.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.201 0.524 . . . . 0.68000000000000005 109.922 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -133.23 120.87 21.68 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.743 . . . . 0.45000000000000001 110.549 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.518 ' CD1' HD13 ' A' ' 565' ' ' ILE . 10.5 pt -115.34 -178.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.413 -0.812 . . . . 0.31 110.884 -174.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -125.29 113.32 17.45 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.08 -0.509 . . . . 1.8100000000000001 109.753 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 29.9 mt -114.21 158.18 21.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.714 -0.676 . . . . 0.59999999999999998 110.49 -176.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.679 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.5 m95 -120.68 118.98 31.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.717 -0.475 . . . . 0.34000000000000002 109.717 169.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.553 HD21 ' SD ' ' A' ' 554' ' ' MET . 49.9 tp -75.69 107.41 7.84 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.593 -0.521 . . . . 0.28999999999999998 109.593 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.569 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 61.9 mtt180 -110.7 151.97 27.09 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 116.11 -0.496 . . . . 3.3300000000000001 110.672 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.503 HG21 HG22 ' A' ' 509' ' ' ILE . 13.3 mm -103.41 125.65 57.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.005 -0.543 . . . . 0.51000000000000001 110.878 -175.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.434 ' HB2' ' CA ' ' A' ' 484' ' ' GLY . 6.2 mm-40 -79.27 -40.61 30.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.224 0.535 . . . . 1.52 110.246 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.434 ' CG ' ' HG2' ' A' ' 511' ' ' LYS . 8.7 t0 -143.15 97.52 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.432 -0.804 . . . . 0.70999999999999996 109.777 -175.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.503 HG22 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -73.78 -6.0 7.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.995 -0.548 . . . . 0.70999999999999996 112.157 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -91.56 -17.42 25.65 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.845 0.355 . . . . 3.1499999999999999 111.17 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' LYS . . . . . 0.434 ' HG2' ' CG ' ' A' ' 508' ' ' ASP . 26.4 mmtp -86.14 -10.34 54.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.284 0.564 . . . . 3.1899999999999999 110.468 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.423 HD11 HG23 ' A' ' 506' ' ' ILE . 47.1 mt -95.68 164.28 12.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.501 -0.772 . . . . 0.57999999999999996 109.953 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -98.0 -32.3 11.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.317 0.58 . . . . 3.2999999999999998 109.974 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -67.62 170.21 36.17 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.521 -0.763 . . . . 0.95999999999999996 113.26 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -90.93 118.69 30.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.838 0.351 . . . . 3.5299999999999998 110.294 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -139.43 176.67 8.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.796 0.331 . . . . 0.72999999999999998 110.305 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 519' ' ' ASN . 52.4 mtpt -118.7 154.43 32.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.787 -0.642 . . . . 1.98 110.103 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -78.94 37.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.982 0.896 . . . . 2.29 110.371 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.47 ' H ' ' C ' ' A' ' 517' ' ' LYS . 66.2 t30 179.42 42.32 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.249 -1.341 . . . . 2.5600000000000001 107.417 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 520' ' ' GLU . . . . . 0.412 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 8.9 tp10 -103.14 137.68 40.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.843 -1.071 . . . . 1.52 110.209 -172.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.569 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -145.6 137.74 25.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.441 0.638 . . . . 0.42999999999999999 111.158 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 545' ' ' TYR . 67.7 mt -119.5 102.89 13.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.937 -1.029 . . . . 0.39000000000000001 110.024 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.679 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.7 tt0 -71.52 130.65 41.8 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.957 -0.565 . . . . 0.59999999999999998 110.274 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -151.47 142.06 22.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.422 -0.354 . . . . 0.23999999999999999 110.308 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 11.8 t -83.18 145.63 29.08 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.342 -0.614 . . . . 1.24 109.342 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 526' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 30.0 t80 -130.19 118.34 21.27 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.476 -0.49 . . . . 0.27000000000000002 110.7 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -86.58 108.63 18.67 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.726 -0.842 . . . . 0.57999999999999996 108.726 172.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.04 -20.04 65.64 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.876 -0.602 . . . . 0.51000000000000001 112.041 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -97.26 -36.88 10.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.504 -0.316 . . . . 2.1800000000000002 111.425 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -99.58 -47.46 5.1 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.762 0.653 . . . . 4.0999999999999996 112.762 -175.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -73.69 146.79 44.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.493 0.663 . . . . 0.60999999999999999 112.567 -169.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 75.5 t -117.3 126.56 27.32 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 114.792 -1.095 . . . . 0.28000000000000003 109.189 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.446 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 48.8 Cg_exo -55.77 -38.79 93.96 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.404 2.736 . . . . 0.23999999999999999 113.033 -174.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.71 -36.81 81.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.03 0.443 . . . . 2.3399999999999999 110.584 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.615 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 0.1 OUTLIER -72.64 -35.07 67.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.752 -0.658 . . . . 1.0900000000000001 110.567 -179.164 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 93.4 t -68.19 -43.37 84.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.772 -0.649 . . . . 0.28000000000000003 110.335 176.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -63.29 -24.43 67.86 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.677 -0.409 . . . . 0.17000000000000001 110.386 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.2 mm100 -68.46 -49.67 58.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.438 -0.347 . . . . 1.0800000000000001 110.691 174.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 536' ' ' VAL . 12.8 pt-20 -66.2 -27.41 67.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.792 -0.447 . . . . 2.0699999999999998 109.792 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 52.9 mtt -59.59 -47.94 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.25 110.569 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 537' ' ' ALA . 66.0 t -64.43 -48.34 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.866 -0.606 . . . . 0.23999999999999999 110.718 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.42 -32.02 71.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.944 -0.571 . . . . 0.77000000000000002 111.878 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.3 m -87.22 2.74 49.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.816 0.341 . . . . 1.22 111.505 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 81.73 15.25 76.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.856 -0.688 . . . . 0.54000000000000004 113.19 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.541 ' HB3' HD13 ' A' ' 522' ' ' ILE . 52.7 m-85 -85.49 -52.52 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.091 0.472 . . . . 0.56000000000000005 110.41 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 69.2 t -112.32 151.47 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.519 -0.764 . . . . 0.17000000000000001 110.649 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 43.5 t -86.02 139.14 31.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.285 -0.635 . . . . 0.42999999999999999 109.285 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.444 ' HB2' HG11 ' A' ' 541' ' ' VAL . 11.2 tp10 -60.45 -26.75 66.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.748 -0.66 . . . . 2.7200000000000002 111.396 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.26 -16.15 80.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.764 -0.732 . . . . 0.32000000000000001 112.616 177.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -113.15 15.35 19.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.164 0.507 . . . . 1.23 110.122 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -58.5 -46.16 87.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.456 -0.793 . . . . 0.23999999999999999 110.995 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -57.68 -46.33 84.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 2.8999999999999999 110.924 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 37.4 m -58.59 -43.01 89.37 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.348 -0.842 . . . . 0.34999999999999998 111.317 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.587 ' O ' HG13 ' A' ' 558' ' ' ILE . 23.0 mmt -70.73 -46.88 62.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.344 -0.389 . . . . 0.14000000000000001 110.923 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.0 80.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.17000000000000001 110.89 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 6.9 tmtm? -64.87 -43.39 93.11 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.196 -0.668 . . . . 1.8300000000000001 109.196 176.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.566 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -57.58 -46.04 84.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.17999999999999999 110.381 176.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 554' ' ' MET . 62.2 mt -60.91 -49.03 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.203 -0.908 . . . . 0.17999999999999999 109.991 177.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -62.97 -39.72 95.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.818 -0.628 . . . . 2.2000000000000002 111.009 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -59.7 -44.81 93.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.849 0.357 . . . . 1.03 110.221 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 561' ' ' ARG . 8.3 tpt180 -69.62 -46.74 65.53 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.087 -0.506 . . . . 1.5700000000000001 110.473 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 558' ' ' ILE . 99.5 t -62.07 -36.53 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.23999999999999999 111.291 -177.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 14.3 t -62.33 -40.71 97.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.148 0.499 . . . . 0.83999999999999997 110.094 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 90.9 mt -67.86 -41.38 82.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.719 . . . . 1.7 110.513 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.518 HD13 ' CD1' ' A' ' 500' ' ' ILE . 94.9 mt -63.72 -45.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.197 -0.911 . . . . 0.57999999999999996 111.144 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 88.1 mttt -68.25 -24.22 64.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.88 111.664 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -61.0 -34.1 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.063 0.459 . . . . 3.0 109.953 174.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -38.13 82.02 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.766 -0.652 . . . . 3.4700000000000002 109.689 175.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 495' ' ' GLY . 47.0 mtp180 -69.76 -30.92 68.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.465 -0.789 . . . . 3.0499999999999998 111.763 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 18.8 mm-40 -60.83 -46.0 92.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.73 -0.668 . . . . 2.1600000000000001 111.407 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 69.09 140.08 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.898 0.749 . . . . 5.2800000000000002 110.731 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.767 -0.651 . . . . 8.0299999999999994 110.779 -177.381 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 111.805 -0.518 . . . . 9.5 111.805 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -96.45 110.74 23.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.761 0.315 . . . . 7.3399999999999999 110.621 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 49.5 ttm -80.64 -26.2 37.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.038 0.447 . . . . 10.949999999999999 110.11 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 478' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 36.7 m-20 -108.73 139.94 21.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.92 -0.582 . . . . 6.7800000000000002 110.694 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 479' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 25.3 Cg_exo -65.77 -2.89 7.14 Favored 'Trans proline' 0 CA--C 1.526 0.119 0 C-N-CA 123.997 3.131 . . . . 7.4500000000000002 112.202 175.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -70.03 -36.91 75.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.873 -0.603 . . . . 7.3399999999999999 110.83 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -90.23 143.25 26.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.066 0.46 . . . . 6.0300000000000002 110.389 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 482' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 553' ' ' THR . 9.1 pt-20 -93.24 85.54 5.06 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.55 0.691 . . . . 5.9199999999999999 109.963 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.415 ' HB ' ' H ' ' A' ' 484' ' ' GLY . 3.0 m -119.22 -109.74 0.35 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.858 -0.61 . . . . 1.7 110.554 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.415 ' H ' ' HB ' ' A' ' 483' ' ' THR . . . 62.81 34.12 88.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.192 -1.004 . . . . 0.57999999999999996 111.368 -173.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.545 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -151.74 155.26 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 C-N-CA 123.353 0.661 . . . . 0.35999999999999999 110.083 -175.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.405 ' HD2' ' H ' ' A' ' 487' ' ' VAL . 26.1 tpt180 -155.37 138.39 15.48 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.286 0.565 . . . . 2.96 110.968 176.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 59.9 t -114.6 126.92 72.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.264 -0.88 . . . . 0.23000000000000001 110.573 -175.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -128.7 152.04 48.85 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.428 -0.805 . . . . 2.0099999999999998 111.226 -174.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.57 HD23 ' CD1' ' A' ' 502' ' ' LEU . 46.2 mt -72.89 139.89 47.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.669 -0.696 . . . . 0.37 110.123 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.453 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -82.04 -23.87 35.64 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.379 0.609 . . . . 0.42999999999999999 109.661 174.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 -169.93 2.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.286 -0.87 . . . . 2.02 110.535 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.98 108.95 20.03 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.912 -0.586 . . . . 2.3599999999999999 110.594 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 493' ' ' ASP . . . . . 0.496 ' HB3' HD13 ' A' ' 489' ' ' LEU . 22.4 t70 -124.3 123.73 40.85 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.57 -0.452 . . . . 1.3700000000000001 111.364 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -160.77 19.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.442 -0.799 . . . . 3.3799999999999999 109.348 173.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -117.73 -120.31 3.04 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.58 -0.819 . . . . 2.4500000000000002 113.083 -174.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -132.37 25.71 4.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.778 -0.211 . . . . 3.3500000000000001 111.553 -172.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.51 ' HB2' ' NH2' ' A' ' 569' ' ' ARG . 95.4 mttt -57.31 137.09 56.46 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 110.255 -0.276 . . . . 1.75 110.255 176.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 32.7 mm -90.96 -29.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.213 0.53 . . . . 0.68000000000000005 109.816 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -131.86 118.05 19.33 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.346 0.593 . . . . 0.45000000000000001 110.826 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.578 ' CD1' HD13 ' A' ' 565' ' ' ILE . 11.1 pt -117.82 -171.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.109 -0.95 . . . . 0.31 110.277 -175.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 7.8 ttpm? -141.74 108.37 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.885 0.374 . . . . 1.8100000000000001 111.087 179.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.57 ' CD1' HD23 ' A' ' 489' ' ' LEU . 1.9 mm? -95.63 167.21 11.43 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.321 0.582 . . . . 0.59999999999999998 111.661 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.727 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.4 m95 -123.19 120.68 33.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.028 -0.987 . . . . 0.34000000000000002 109.286 165.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.566 ' HB3' ' HB ' ' A' ' 522' ' ' ILE . 50.9 tp -83.09 104.31 13.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.444 -0.344 . . . . 0.28999999999999998 110.49 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.445 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 41.3 mtm105 -90.17 132.36 35.51 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.26 -0.427 . . . . 3.3300000000000001 110.469 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.605 HG21 HG22 ' A' ' 509' ' ' ILE . 16.6 mm -87.73 113.64 25.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.428 -0.582 . . . . 0.51000000000000001 109.428 175.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.11 -54.1 5.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.13 -0.486 . . . . 1.52 111.047 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -129.25 99.74 5.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.947 -0.569 . . . . 0.70999999999999996 110.27 -175.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.605 HG22 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -75.26 -10.34 13.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.519 -0.764 . . . . 0.70999999999999996 111.838 -176.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -81.87 -14.57 56.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.185 -0.461 . . . . 3.1499999999999999 110.817 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -27.57 27.15 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.437 0.637 . . . . 3.1899999999999999 109.399 177.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 41.7 mt -87.35 156.88 19.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.357 -0.838 . . . . 0.57999999999999996 110.105 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -99.09 -11.45 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.313 -0.403 . . . . 3.2999999999999998 110.854 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -80.52 -162.68 27.55 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.044 -0.598 . . . . 0.95999999999999996 112.449 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 515' ' ' LYS . 0.2 OUTLIER -116.9 102.7 9.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.553 -0.536 . . . . 3.5299999999999998 109.553 178.599 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -130.91 173.59 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 0.72999999999999998 111.366 -174.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 519' ' ' ASN . 81.5 mttt -115.24 137.62 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.314 -0.857 . . . . 1.98 108.954 176.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -79.12 35.96 0.27 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.746 0.784 . . . . 2.29 111.246 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 517' ' ' LYS . 8.5 p30 -161.68 25.5 0.12 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.897 -1.047 . . . . 2.5600000000000001 109.646 178.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -102.69 141.85 34.81 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.956 -0.566 . . . . 1.52 110.286 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -132.4 124.03 27.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.605 -0.725 . . . . 0.42999999999999999 110.531 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.601 HD13 ' HB3' ' A' ' 545' ' ' TYR . 97.4 mt -102.63 105.29 17.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.102 -0.954 . . . . 0.39000000000000001 110.738 -177.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.727 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 20.6 tt0 -74.78 126.1 30.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.957 -0.565 . . . . 0.59999999999999998 110.876 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 524' ' ' PHE . . . . . 0.456 ' CD2' HG11 ' A' ' 536' ' ' VAL . 43.7 p90 -145.97 141.95 28.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.764 0.316 . . . . 0.23999999999999999 110.412 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 62.8 p -84.81 143.54 29.03 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.736 -0.468 . . . . 1.24 109.736 177.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 526' ' ' PHE . . . . . 0.485 ' CD1' HD23 ' A' ' 528' ' ' LEU . 19.6 t80 -126.82 112.7 15.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.172 -0.611 . . . . 0.27000000000000002 110.571 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 531' ' ' ASP . 9.4 t70 -84.94 108.2 17.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.502 -0.925 . . . . 0.57999999999999996 108.502 172.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.485 HD23 ' CD1' ' A' ' 526' ' ' PHE . 63.8 mt -67.67 -9.74 46.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.161 -0.472 . . . . 0.51000000000000001 112.137 -172.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -106.96 -42.4 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.794 0.331 . . . . 2.1800000000000002 110.965 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -89.63 -51.86 5.3 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.0 0.371 . . . . 4.0999999999999996 112.0 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 4.1 m-20 -70.01 156.21 39.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.738 0.78 . . . . 0.60999999999999999 112.0 -173.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 76.4 t -131.11 137.79 31.47 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 114.671 -1.149 . . . . 0.28000000000000003 108.88 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -53.03 -49.46 17.51 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.213 1.942 . . . . 0.23999999999999999 112.161 -176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.33 -30.62 71.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.853 -0.612 . . . . 2.3399999999999999 111.363 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 26.8 t70 -70.12 -46.53 64.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.149 0.5 . . . . 1.0900000000000001 110.04 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 524' ' ' PHE . 93.8 t -60.34 -42.32 90.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.28000000000000003 110.238 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.35 -27.77 69.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.17000000000000001 110.823 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.493 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 48.9 mm-40 -69.46 -45.78 68.26 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 110.067 -0.346 . . . . 1.0800000000000001 110.067 174.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 539' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 50.7 mm-40 -57.88 -40.59 80.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.257 0.551 . . . . 2.0699999999999998 109.734 175.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.441 ' HB3' HG23 ' A' ' 546' ' ' VAL . 54.0 mtt -55.4 -41.59 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.268 -0.878 . . . . 0.25 110.925 177.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.648 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 65.1 t -67.08 -50.97 58.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.897 -0.592 . . . . 0.23999999999999999 110.849 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.77 -28.25 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.77000000000000002 111.673 -177.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' SER . . . . . 0.449 ' HB2' ' CD2' ' A' ' 545' ' ' TYR . 17.6 m -84.59 -14.45 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.809 0.338 . . . . 1.22 111.239 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.53 7.74 56.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.54000000000000004 113.078 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.601 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.7 m-85 -78.8 -52.0 8.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.124 0.488 . . . . 0.56000000000000005 110.376 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 95.4 t -116.61 151.75 18.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.438 -0.801 . . . . 0.17000000000000001 110.642 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.85 143.09 26.61 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.685 -0.857 . . . . 0.42999999999999999 108.685 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.435 ' HB3' HG11 ' A' ' 541' ' ' VAL . 12.3 pt-20 -64.0 -14.4 53.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 2.7200000000000002 112.184 -173.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -81.05 -18.42 69.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.32000000000000001 112.286 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -113.93 22.32 14.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.55 0.69 . . . . 1.23 109.778 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' HIS . . . . . 0.493 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 16.6 t-80 -61.31 -50.78 71.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.128 -0.942 . . . . 0.23999999999999999 111.895 -175.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -68.6 -30.62 69.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.61 0.243 . . . . 2.8999999999999999 111.143 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 553' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 482' ' ' GLU . 84.3 m -59.41 -48.61 80.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.965 -0.561 . . . . 0.34999999999999998 110.772 177.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.568 ' O ' HG13 ' A' ' 558' ' ' ILE . 25.3 mmt -66.0 -44.2 85.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.665 -0.698 . . . . 0.14000000000000001 110.59 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.58 73.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.596 -0.729 . . . . 0.17000000000000001 111.278 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -65.64 -41.95 92.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.942 0.401 . . . . 1.8300000000000001 109.954 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.545 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.97 -44.81 96.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.776 -0.647 . . . . 0.17999999999999999 110.297 176.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 554' ' ' MET . 57.0 mt -63.03 -49.38 83.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.314 -0.857 . . . . 0.17999999999999999 110.314 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -64.51 -33.33 75.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.915 -0.584 . . . . 2.2000000000000002 111.022 -175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.5 -44.84 93.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 1.03 110.846 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' A' ' 565' ' ' ILE . 13.0 tpt180 -68.58 -45.16 72.79 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.172 -0.467 . . . . 1.5700000000000001 109.87 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 558' ' ' ILE . 76.0 t -61.92 -33.66 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.508 -0.769 . . . . 0.23999999999999999 111.373 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 13.3 t -61.95 -43.81 98.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.961 0.41 . . . . 0.83999999999999997 110.516 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.33 -43.49 85.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.331 0.586 . . . . 1.7 110.006 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.578 HD13 ' CD1' ' A' ' 500' ' ' ILE . 84.7 mt -60.36 -47.92 90.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.04 -0.982 . . . . 0.57999999999999996 111.701 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.54 -22.42 66.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.944 -0.571 . . . . 0.88 111.526 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 567' ' ' ARG . 0.3 OUTLIER -59.55 -32.41 70.32 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.544 -0.539 . . . . 3.0 109.544 176.532 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -70.55 -31.37 68.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.195 0.521 . . . . 3.4700000000000002 110.249 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.51 ' NH2' ' HB2' ' A' ' 497' ' ' LYS . 11.2 mpt_? -76.26 -9.46 58.65 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.687 -0.688 . . . . 3.0499999999999998 110.926 177.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.36 56.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.811 0.815 . . . . 2.1600000000000001 110.48 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 571' ' ' GLN . . . . . 0.443 ' HG2' ' N ' ' A' ' 572' ' ' ARG . 24.3 tt0 -133.13 164.04 27.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.602 -1.181 . . . . 5.2800000000000002 108.182 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.543 ' NE ' ' HA ' ' A' ' 572' ' ' ARG . 5.3 mmp_? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.674 -0.679 . . . . 8.0299999999999994 109.865 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.04 -0.424 . . . . 9.5 112.04 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -153.73 133.28 12.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.793 0.33 . . . . 7.3399999999999999 110.693 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 15.6 tpt -85.71 -40.64 15.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.091 0.472 . . . . 10.949999999999999 109.891 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.17 146.67 63.27 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.25 -0.648 . . . . 6.7800000000000002 109.25 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.53 84.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 124.428 3.419 . . . . 7.4500000000000002 113.588 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -175.91 -178.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.277 -1.009 . . . . 7.3399999999999999 108.277 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -158.04 13.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.963 0.411 . . . . 6.0300000000000002 109.908 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 67.87 -58.06 0.45 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.343 -0.844 . . . . 5.9199999999999999 111.432 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 12.6 m -64.1 116.27 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.591 -0.522 . . . . 1.7 109.591 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.566 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -87.49 43.28 3.18 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.093 -0.575 . . . . 0.57999999999999996 113.489 -173.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.603 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -156.91 158.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 122.501 0.32 . . . . 0.35999999999999999 110.583 178.698 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -164.37 139.1 5.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.798 -0.637 . . . . 2.96 110.016 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.588 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 49.2 t -111.92 144.97 18.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.188 -0.46 . . . . 0.23000000000000001 110.863 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -133.74 165.13 25.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.963 -0.562 . . . . 2.0099999999999998 110.876 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.56 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 93.8 mt -85.5 129.04 34.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.466 -0.788 . . . . 0.37 110.855 -178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -76.67 -13.57 60.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.743 0.782 . . . . 0.42999999999999999 109.961 174.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.56 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 11.1 pt-20 -139.29 163.33 32.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.456 -1.247 . . . . 2.02 108.569 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -81.57 115.41 20.85 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.542 -0.54 . . . . 2.3599999999999999 109.542 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 493' ' ' ASP . . . . . 0.448 ' CG ' HH21 ' A' ' 569' ' ' ARG . 21.4 t70 -113.99 104.88 12.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.181 -0.463 . . . . 1.3700000000000001 110.992 -176.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -91.32 -27.53 18.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.82 -0.627 . . . . 3.3799999999999999 109.373 175.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 495' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 496' ' ' GLU . . . 120.87 115.8 2.44 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.488 -0.778 . . . . 2.4500000000000002 113.166 174.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 496' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 495' ' ' GLY . 11.8 pt-20 175.63 -34.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.677 0.751 . . . . 3.3500000000000001 108.984 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -101.89 128.72 48.16 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.685 -1.143 . . . . 1.75 110.042 -178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 33.0 mm -73.56 -31.8 33.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.347 0.594 . . . . 0.68000000000000005 110.413 -174.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -107.77 123.76 49.03 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.451 -0.795 . . . . 0.45000000000000001 110.644 -178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 16.5 pt -120.48 -176.41 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.31 111.038 -175.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 490' ' ' ALA . 11.3 tptm -125.37 114.93 19.53 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.084 -0.507 . . . . 1.8100000000000001 109.665 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.588 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 48.0 mt -115.45 156.72 25.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.985 -0.552 . . . . 0.59999999999999998 111.089 -176.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.684 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.4 m95 -121.94 124.03 43.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.894 -0.409 . . . . 0.34000000000000002 109.894 170.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 56.7 tp -83.51 96.24 8.54 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.074 0.464 . . . . 0.28999999999999998 110.328 176.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -87.65 119.73 28.26 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.537 -0.756 . . . . 3.3300000000000001 110.55 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.492 HG21 HG22 ' A' ' 509' ' ' ILE . 12.7 mm -79.96 124.69 38.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.752 -0.658 . . . . 0.51000000000000001 110.087 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.566 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 18.5 mm-40 -92.73 -45.3 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.071 -0.513 . . . . 1.52 111.836 -175.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -137.29 96.45 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.283 0.563 . . . . 0.70999999999999996 110.557 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.492 HG22 HG21 ' A' ' 506' ' ' ILE . 2.7 pp -75.98 -13.11 14.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.664 -0.698 . . . . 0.70999999999999996 112.022 -177.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -75.35 -17.63 60.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.874 0.369 . . . . 3.1499999999999999 110.837 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 4.8 mmmp? -85.07 -18.84 33.08 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.113 0.482 . . . . 3.1899999999999999 111.116 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 19.1 mt -91.49 149.79 21.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.738 -0.664 . . . . 0.57999999999999996 110.917 -173.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -107.54 54.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.272 0.558 . . . . 3.2999999999999998 110.558 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.21 -171.85 26.66 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.706 -0.679 . . . . 0.95999999999999996 111.516 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -92.4 103.77 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.09 0.471 . . . . 3.5299999999999998 110.762 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -135.76 170.19 16.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.72999999999999998 110.055 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 519' ' ' ASN . 49.5 mtmt -125.69 151.47 46.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.001 -0.545 . . . . 1.98 109.804 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -80.73 31.5 0.3 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.536 0.684 . . . . 2.29 111.218 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 517' ' ' LYS . 26.9 p-10 -159.97 23.78 0.17 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.031 -0.986 . . . . 2.5600000000000001 109.746 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.0 140.13 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.665 . . . . 1.52 110.534 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.634 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -143.14 113.3 7.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.578 -0.737 . . . . 0.42999999999999999 110.285 177.303 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.536 HD13 ' HB3' ' A' ' 545' ' ' TYR . 68.3 mt -92.79 105.17 16.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 114.748 -1.114 . . . . 0.39000000000000001 110.858 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.1 tt0 -73.43 126.43 30.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.948 -0.569 . . . . 0.59999999999999998 110.428 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 524' ' ' PHE . . . . . 0.474 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 47.6 p90 -144.43 143.97 31.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.839 0.352 . . . . 0.23999999999999999 110.437 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.5 p -86.67 136.46 33.02 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.823 -0.436 . . . . 1.24 109.823 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' PHE . . . . . 0.445 ' CD2' HD23 ' A' ' 528' ' ' LEU . 31.9 t80 -125.81 116.43 21.57 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.529 -0.469 . . . . 0.27000000000000002 111.156 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.31 106.08 13.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.077 -1.083 . . . . 0.57999999999999996 108.077 170.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.445 HD23 ' CD2' ' A' ' 526' ' ' PHE . 78.7 mt -62.32 -15.44 48.05 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.035 0.754 . . . . 0.51000000000000001 113.035 -170.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -106.84 -43.83 4.58 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.964 -0.294 . . . . 2.1800000000000002 111.429 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -81.57 -52.0 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.831 0.308 . . . . 4.0999999999999996 111.831 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -75.28 146.51 40.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.448 0.642 . . . . 0.60999999999999999 111.61 -171.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 73.3 t -116.82 137.83 24.1 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.018 -0.992 . . . . 0.28000000000000003 109.316 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -51.03 -46.61 29.94 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.801 2.334 . . . . 0.23999999999999999 112.077 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -61.42 -36.77 81.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.911 -0.586 . . . . 2.3399999999999999 111.202 176.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.84 -46.37 75.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.285 0.564 . . . . 1.0900000000000001 110.127 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.11 -40.14 87.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.253 -0.885 . . . . 0.28000000000000003 111.071 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.87 -28.27 69.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.539 -0.301 . . . . 0.17000000000000001 110.782 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -68.85 -41.02 79.04 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.211 -0.292 . . . . 1.0800000000000001 110.211 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -58.91 -43.47 91.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.197 -0.668 . . . . 2.0699999999999998 109.197 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.448 ' HB3' HG23 ' A' ' 546' ' ' VAL . 56.1 mtt -55.45 -45.35 76.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.097 -0.956 . . . . 0.25 111.089 176.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 537' ' ' ALA . 98.7 t -63.16 -50.87 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.483 -0.78 . . . . 0.23999999999999999 111.007 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.5 -36.35 83.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.77000000000000002 111.548 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 32.2 m -72.94 -16.92 61.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.428 -0.351 . . . . 1.22 111.527 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 99.22 14.4 36.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.548 -0.834 . . . . 0.54000000000000004 112.971 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.536 ' HB3' HD13 ' A' ' 522' ' ' ILE . 63.9 m-85 -86.88 -46.94 9.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.302 0.572 . . . . 0.56000000000000005 110.481 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 94.1 t -118.58 146.64 22.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.186 -0.915 . . . . 0.17000000000000001 110.56 -173.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.433 ' O ' HG12 ' A' ' 546' ' ' VAL . 42.4 t -82.78 140.46 32.98 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.253 -1.017 . . . . 0.42999999999999999 108.253 172.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.462 ' HB2' HG11 ' A' ' 541' ' ' VAL . 40.4 tt0 -63.27 -17.53 62.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.379 . . . . 2.7200000000000002 111.502 -172.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.17 -13.26 82.22 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.725 -0.75 . . . . 0.32000000000000001 112.381 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -106.06 12.58 30.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.718 -0.475 . . . . 1.23 109.718 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -53.82 -49.75 67.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.242 -0.89 . . . . 0.23999999999999999 111.637 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -63.93 -39.74 94.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.687 -0.233 . . . . 2.8999999999999999 111.156 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 26.5 m -60.61 -45.25 94.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.037 0.446 . . . . 0.34999999999999998 110.944 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.568 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.8 mmt -69.93 -44.94 68.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.863 -0.608 . . . . 0.14000000000000001 110.664 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.61 78.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.589 -0.732 . . . . 0.17000000000000001 110.375 177.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -67.45 -36.99 82.27 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.677 -0.692 . . . . 1.8300000000000001 110.605 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.603 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -63.24 -46.44 86.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.44 0.638 . . . . 0.17999999999999999 110.321 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 562' ' ' VAL . 76.9 mt -61.01 -50.09 82.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.082 -0.963 . . . . 0.17999999999999999 110.371 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -64.86 -29.61 70.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.544 . . . . 2.2000000000000002 110.381 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 560' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 557' ' ' ALA . 21.1 t70 -59.63 -59.0 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 1.03 110.486 176.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 561' ' ' ARG . 18.3 tpt180 -64.34 -43.74 93.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.666 -0.243 . . . . 1.5700000000000001 111.343 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 558' ' ' ILE . 84.8 t -60.48 -33.45 54.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.334 -0.394 . . . . 0.23999999999999999 111.352 -177.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 27.2 t -57.33 -55.49 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.125 -0.324 . . . . 0.83999999999999997 110.125 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.403 ' H ' HD12 ' A' ' 564' ' ' LEU . 8.0 mp -53.47 -45.09 69.42 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 121.059 0.457 . . . . 1.7 111.564 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.16 -51.21 75.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.626 -0.716 . . . . 0.57999999999999996 111.174 -178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 99.1 mttt -68.48 -32.75 72.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.154 -0.475 . . . . 0.88 110.992 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.445 ' HD2' ' OE1' ' A' ' 570' ' ' GLU . 28.8 tpt180 -61.14 -38.74 87.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.83 0.452 . . . . 3.0 110.998 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -74.23 -30.67 62.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.246 0.546 . . . . 3.4700000000000002 110.25 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.448 HH21 ' CG ' ' A' ' 493' ' ' ASP . 84.9 mtt180 -78.49 -5.56 52.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 3.0499999999999998 111.492 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 566' ' ' LYS . 70.5 mt-10 -72.27 -12.84 61.33 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.396 -0.594 . . . . 2.1600000000000001 109.396 173.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -97.0 115.92 28.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.397 -0.819 . . . . 5.2800000000000002 109.598 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 572' ' ' ARG . 5.3 tpp180 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.685 -0.674 . . . . 8.0299999999999994 109.965 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.966 -0.454 . . . . 9.5 111.966 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . 54.17 50.1 17.24 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 122.806 0.442 . . . . 7.3399999999999999 111.198 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.06 -44.75 75.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.908 -0.587 . . . . 10.949999999999999 110.291 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -105.07 148.12 35.64 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.851 -0.613 . . . . 6.7800000000000002 110.257 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -48.78 139.74 24.14 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 123.392 2.728 . . . . 7.4500000000000002 112.477 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 78.0 4.36 2.85 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.838 0.855 . . . . 7.3399999999999999 110.958 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 58.4 -172.21 0.1 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.415 0.626 . . . . 6.0300000000000002 111.456 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' GLU . . . . . 0.512 ' O ' ' HE2' ' A' ' 511' ' ' LYS . 0.0 OUTLIER -95.02 -3.5 48.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.507 0.67 . . . . 5.9199999999999999 109.463 171.459 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.69 107.59 18.51 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.124 -0.943 . . . . 1.7 109.921 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -80.1 47.09 3.3 Favored Glycine 0 C--N 1.328 0.106 0 C-N-CA 120.913 -0.66 . . . . 0.57999999999999996 112.745 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.511 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -154.8 165.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 122.947 0.499 . . . . 0.35999999999999999 110.475 -178.673 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.515 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 16.2 tpp180 -169.47 138.02 1.9 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.608 -0.723 . . . . 2.96 109.544 176.249 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 44.4 t -107.77 139.96 27.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-O 121.07 0.462 . . . . 0.23000000000000001 111.47 -176.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -124.67 155.04 39.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.539 -0.755 . . . . 2.0099999999999998 110.39 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.592 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 76.5 mt -79.14 127.41 31.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.69 . . . . 0.37 110.03 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.565 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -72.42 -22.98 61.02 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.838 -0.801 . . . . 0.42999999999999999 108.838 172.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 491' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 15.3 pt-20 -140.66 139.53 34.82 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.164 -1.38 . . . . 2.02 108.064 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -72.71 130.5 40.66 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.221 0.534 . . . . 2.3599999999999999 111.46 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 493' ' ' ASP . . . . . 0.411 ' H ' HD13 ' A' ' 489' ' ' LEU . 6.1 t0 -111.77 108.82 18.37 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.608 -0.724 . . . . 1.3700000000000001 111.071 177.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -138.56 25.01 2.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.006 -0.543 . . . . 3.3799999999999999 109.822 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -136.52 -105.24 0.75 Allowed Glycine 0 CA--C 1.507 -0.453 0 C-N-CA 120.287 -0.959 . . . . 2.4500000000000002 113.432 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' GLU . . . . . 0.626 ' HA ' ' NH2' ' A' ' 569' ' ' ARG . 0.0 OUTLIER -130.0 24.4 5.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.955 0.407 . . . . 3.3500000000000001 111.755 -171.662 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -65.19 119.95 11.82 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.721 -0.672 . . . . 1.75 111.171 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 27.5 mm -93.02 -49.22 13.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.331 -0.849 . . . . 0.68000000000000005 109.157 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -108.98 120.15 41.69 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.902 -1.044 . . . . 0.45000000000000001 110.146 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.0 pt -120.27 176.79 3.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.441 -0.8 . . . . 0.31 111.675 -171.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 490' ' ' ALA . 14.1 tppt? -119.36 116.72 26.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.121 -0.945 . . . . 1.8100000000000001 109.455 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.561 HD23 HD23 ' A' ' 489' ' ' LEU . 36.2 mt -117.12 153.17 33.25 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.459 -0.337 . . . . 0.59999999999999998 110.823 -178.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.674 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.4 m95 -119.18 123.34 44.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.676 -0.49 . . . . 0.34000000000000002 109.676 169.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.576 HD21 ' SD ' ' A' ' 554' ' ' MET . 53.3 tp -77.97 102.64 7.47 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.03 -0.532 . . . . 0.28999999999999998 109.923 175.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -87.84 126.32 34.96 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.955 -0.566 . . . . 3.3300000000000001 110.237 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.483 HG21 HG22 ' A' ' 509' ' ' ILE . 25.5 mm -90.49 115.51 29.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.083 -0.508 . . . . 0.51000000000000001 109.808 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -88.84 -50.59 6.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.823 -0.626 . . . . 1.52 111.608 -173.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -135.03 101.15 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.111 -0.495 . . . . 0.70999999999999996 109.823 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.483 HG22 HG21 ' A' ' 506' ' ' ILE . 2.1 pp -75.29 -11.26 14.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 0.70999999999999996 111.919 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -80.56 -9.32 59.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.465 0.65 . . . . 3.1499999999999999 110.109 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 511' ' ' LYS . . . . . 0.512 ' HE2' ' O ' ' A' ' 482' ' ' GLU . 52.2 tptt -89.96 -15.33 32.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.408 -0.815 . . . . 3.1899999999999999 109.2 175.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 32.1 mt -100.26 166.03 11.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.391 -0.822 . . . . 0.57999999999999996 111.103 -174.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -114.93 48.91 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.968 0.413 . . . . 3.2999999999999998 110.796 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.71 -169.37 23.89 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.828 -0.701 . . . . 0.95999999999999996 111.855 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -97.9 110.16 22.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.07 0.462 . . . . 3.5299999999999998 110.294 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 516' ' ' TYR . . . . . 0.474 ' HB2' ' CG2' ' A' ' 509' ' ' ILE . 34.1 m-85 -138.54 167.28 22.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.685 -0.689 . . . . 0.72999999999999998 109.566 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 519' ' ' ASN . 53.0 mtmt -111.91 143.79 42.3 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.369 -0.604 . . . . 1.98 109.369 173.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -78.68 36.6 0.27 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.244 0.545 . . . . 2.29 111.656 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 517' ' ' LYS . 67.0 t30 -167.18 28.25 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.199 -0.91 . . . . 2.5600000000000001 108.653 176.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.61 146.83 25.56 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.222 -0.899 . . . . 1.52 109.576 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -141.87 121.8 13.63 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.341 0.591 . . . . 0.42999999999999999 110.336 177.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.55 HD13 ' HB3' ' A' ' 545' ' ' TYR . 87.0 mt -103.19 106.24 19.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 114.989 -1.005 . . . . 0.39000000000000001 110.376 -177.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.674 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 19.3 tt0 -72.39 129.28 38.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.881 -0.599 . . . . 0.59999999999999998 110.539 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 524' ' ' PHE . . . . . 0.439 ' CD2' HG11 ' A' ' 536' ' ' VAL . 45.4 p90 -147.41 151.24 36.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 0.23999999999999999 110.082 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 7.1 m -92.29 144.26 25.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.42 -0.585 . . . . 1.24 109.42 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -135.38 115.22 12.98 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.029 -0.668 . . . . 0.27000000000000002 111.067 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.25 110.68 18.74 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.582 -0.896 . . . . 0.57999999999999996 108.582 171.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.94 -1.46 7.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.896 -0.593 . . . . 0.51000000000000001 112.372 -173.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -113.11 -23.73 9.84 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.277 -0.169 . . . . 2.1800000000000002 111.288 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -114.44 -49.92 2.81 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.752 0.649 . . . . 4.0999999999999996 112.752 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.72 151.9 46.53 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.529 0.68 . . . . 0.60999999999999999 112.546 -170.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 97.8 t -121.78 126.84 26.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 114.832 -1.076 . . . . 0.28000000000000003 109.181 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.434 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 64.2 Cg_exo -53.87 -41.21 76.61 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.544 2.829 . . . . 0.23999999999999999 113.855 -176.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.84 -26.16 61.37 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.779 -0.368 . . . . 2.3399999999999999 111.297 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.92 -42.12 67.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.322 0.582 . . . . 1.0900000000000001 109.585 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.439 HG11 ' CD2' ' A' ' 524' ' ' PHE . 89.6 t -64.49 -41.71 93.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.568 -0.742 . . . . 0.28000000000000003 110.532 176.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.48 -19.69 66.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.714 -0.395 . . . . 0.17000000000000001 110.612 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 1.5 mm-40 -73.61 -47.73 38.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.37 -0.377 . . . . 1.0800000000000001 110.494 175.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 536' ' ' VAL . 11.3 pt-20 -66.37 -27.19 67.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.065 0.46 . . . . 2.0699999999999998 109.884 178.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.433 ' HB3' HG23 ' A' ' 546' ' ' VAL . 53.1 mtt -58.16 -44.52 87.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.422 -0.808 . . . . 0.25 110.422 171.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 537' ' ' ALA . 69.6 t -70.04 -45.66 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.772 -0.649 . . . . 0.23999999999999999 110.699 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 542' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 56.9 mt-10 -59.79 -36.51 76.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.77000000000000002 111.298 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.8 m -85.18 1.09 49.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.388 -0.369 . . . . 1.22 111.499 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 87.4 -5.61 84.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.764 . . . . 0.54000000000000004 113.407 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.55 ' HB3' HD13 ' A' ' 522' ' ' ILE . 52.2 m-85 -63.36 -56.1 19.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.035 0.445 . . . . 0.56000000000000005 110.8 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 93.4 t -107.06 144.42 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.556 -0.747 . . . . 0.17000000000000001 110.789 -176.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.403 ' O ' HG12 ' A' ' 546' ' ' VAL . 35.5 t -76.57 143.85 40.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.495 -0.775 . . . . 0.42999999999999999 109.287 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -6.81 8.22 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.542 0.571 . . . . 2.7200000000000002 112.542 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -91.07 -11.41 61.44 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.013 -0.613 . . . . 0.32000000000000001 112.702 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 554' ' ' MET . 53.1 m-20 -115.52 19.18 15.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.883 0.373 . . . . 1.23 110.818 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -54.63 -54.08 46.3 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.834 -0.621 . . . . 0.23999999999999999 111.915 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -73.19 -29.75 63.05 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.093 -0.243 . . . . 2.8999999999999999 111.281 -175.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 99.2 m -61.71 -45.08 95.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.377 -0.374 . . . . 0.34999999999999998 110.658 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.576 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.5 mmt -68.14 -43.34 78.52 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.181 0.515 . . . . 0.14000000000000001 110.477 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.03 -35.2 77.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.381 -0.827 . . . . 0.17000000000000001 111.182 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.552 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 2.6 tmtp? -65.39 -41.49 93.63 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.998 -0.741 . . . . 1.8300000000000001 108.998 178.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.511 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.7 -43.19 89.97 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.243 0.544 . . . . 0.17999999999999999 110.251 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 562' ' ' VAL . 62.9 mt -63.77 -50.72 76.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.219 -0.901 . . . . 0.17999999999999999 109.988 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -61.07 -40.01 92.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.724 . . . . 2.2000000000000002 110.843 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.57 -43.95 95.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 1.03 110.301 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -66.41 -48.5 69.86 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.131 -0.486 . . . . 1.5700000000000001 110.484 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 558' ' ' ILE . 91.8 t -59.78 -37.65 72.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.23999999999999999 111.248 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 563' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 567' ' ' ARG . 23.0 t -59.67 -50.26 74.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.022 -0.362 . . . . 0.83999999999999997 110.022 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.05 -43.08 99.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 1.7 110.599 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.47 -54.48 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.574 -0.739 . . . . 0.57999999999999996 111.096 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 569' ' ' ARG . 97.5 mttt -59.93 -32.96 71.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.88 111.579 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 563' ' ' SER . 21.6 mmm180 -63.03 -44.19 96.6 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.945 0.402 . . . . 3.0 110.644 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -73.16 -26.73 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.86 -0.609 . . . . 3.4700000000000002 110.276 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.626 ' NH2' ' HA ' ' A' ' 496' ' ' GLU . 1.4 mmp_? -67.48 -38.94 85.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.633 -0.712 . . . . 3.0499999999999998 110.96 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -64.81 -57.55 8.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.556 -0.747 . . . . 2.1600000000000001 111.864 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 57.94 58.59 3.53 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.679 -0.489 . . . . 5.2800000000000002 109.679 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 . . . . . 0 C--O 1.251 1.15 0 CA-C-N 115.33 -0.85 . . . . 8.0299999999999994 110.641 -176.945 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 112.157 -0.377 . . . . 9.5 112.157 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -117.62 129.44 55.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.052 0.453 . . . . 7.3399999999999999 110.48 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 56.3 ttp -70.08 -30.38 67.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.674 -0.694 . . . . 10.949999999999999 109.559 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -81.28 146.72 58.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.56 -0.746 . . . . 6.7800000000000002 109.129 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.81 47.54 0.05 OUTLIER 'Trans proline' 0 N--CA 1.48 0.68 0 C-N-CA 124.334 3.356 . . . . 7.4500000000000002 114.817 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -78.48 -41.28 33.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.88 -0.785 . . . . 7.3399999999999999 108.88 171.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -81.2 72.2 8.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.175 -0.921 . . . . 6.0300000000000002 109.054 175.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -89.18 -15.42 33.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.404 -0.816 . . . . 5.9199999999999999 111.561 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 4.8 m -84.29 144.03 29.15 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.725 -0.472 . . . . 1.7 109.725 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.407 ' C ' ' HB3' ' A' ' 507' ' ' GLU . . . -79.9 33.73 2.15 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 121.407 -0.425 . . . . 0.57999999999999996 113.564 -173.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.638 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -154.18 163.48 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.633 0.254 . . . . 0.35999999999999999 110.67 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 487' ' ' VAL . 16.6 tpp85 -166.51 125.38 1.48 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 2.96 110.676 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.511 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 57.6 t -87.64 143.21 11.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.285 -0.87 . . . . 0.23000000000000001 110.567 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -120.28 160.49 22.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.991 0.424 . . . . 2.0099999999999998 110.7 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 502' ' ' LEU . 74.9 mt -83.77 131.1 34.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.437 -0.801 . . . . 0.37 110.082 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.6 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -74.66 -22.86 58.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.952 0.882 . . . . 0.42999999999999999 109.087 172.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -122.44 -171.23 2.23 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.06 -1.427 . . . . 2.02 108.629 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -110.13 133.37 53.28 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.926 -0.398 . . . . 2.3599999999999999 109.926 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -101.48 123.17 45.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.37 -0.377 . . . . 1.3700000000000001 110.544 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -167.96 76.7 0.14 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.207 0.527 . . . . 3.3799999999999999 110.337 174.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 177.87 -112.87 0.39 Allowed Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 120.782 -0.723 . . . . 2.4500000000000002 111.99 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -141.9 31.09 1.62 Allowed 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.627 -0.509 . . . . 3.3500000000000001 109.627 -175.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -58.92 135.89 57.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.768 -0.651 . . . . 1.75 111.866 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 22.2 mm -99.94 -36.29 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.116 -0.947 . . . . 0.68000000000000005 110.437 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -131.07 123.14 28.02 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.215 0.531 . . . . 0.45000000000000001 110.808 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.413 ' CD1' HD13 ' A' ' 565' ' ' ILE . 15.6 pt -125.01 179.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.725 -0.671 . . . . 0.31 111.559 -172.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -120.78 116.31 24.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.615 -0.72 . . . . 1.8100000000000001 109.793 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 489' ' ' LEU . 58.7 mt -112.88 159.47 19.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.887 -0.597 . . . . 0.59999999999999998 111.285 -176.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.732 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.2 m95 -126.45 120.06 28.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.79 -0.448 . . . . 0.34000000000000002 109.79 169.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 46.0 tp -75.3 99.74 4.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.271 -0.422 . . . . 0.28999999999999998 110.357 177.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.499 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 48.7 mtp180 -93.51 126.92 38.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.841 -0.618 . . . . 3.3300000000000001 110.852 177.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.525 ' HA ' HG12 ' A' ' 485' ' ' VAL . 20.2 mm -79.65 119.17 28.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.662 -0.496 . . . . 0.51000000000000001 109.662 177.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.52 ' H ' ' HA ' ' A' ' 485' ' ' VAL . 18.2 tp10 -81.59 -48.69 11.44 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.542 -0.754 . . . . 1.52 110.238 -176.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 508' ' ' ASP . . . . . 0.486 ' OD1' ' HG3' ' A' ' 510' ' ' LYS . 11.8 t70 -130.96 108.49 9.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.21 -0.45 . . . . 0.70999999999999996 110.057 175.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.462 HG22 HG21 ' A' ' 506' ' ' ILE . 2.8 pp -75.6 -20.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.048 0.758 . . . . 0.70999999999999996 113.048 -174.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 510' ' ' LYS . . . . . 0.486 ' HG3' ' OD1' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -91.76 -15.45 28.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 3.1499999999999999 111.368 -174.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -70.76 -21.9 62.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.293 0.568 . . . . 3.1899999999999999 110.094 170.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.522 HD11 HG23 ' A' ' 506' ' ' ILE . 22.4 mt -85.43 160.62 19.7 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.249 -0.887 . . . . 0.57999999999999996 109.761 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -92.8 -15.33 26.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.365 0.602 . . . . 3.2999999999999998 109.466 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -87.54 -179.57 47.94 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 114.882 -1.053 . . . . 0.95999999999999996 112.055 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -108.94 109.75 20.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.833 0.349 . . . . 3.5299999999999998 110.245 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 516' ' ' TYR . . . . . 0.591 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 87.9 m-85 -132.48 156.71 46.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.894 0.378 . . . . 0.72999999999999998 110.54 -177.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -91.76 149.73 21.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.54 -0.754 . . . . 1.98 109.803 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -81.83 34.0 0.39 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.457 0.646 . . . . 2.29 111.975 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -161.07 24.29 0.13 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.05 -0.977 . . . . 2.5600000000000001 108.775 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' GLU . . . . . 0.468 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 7.1 tp10 -82.46 130.29 35.08 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.121 -0.945 . . . . 1.52 110.017 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -136.52 118.43 15.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.769 -0.65 . . . . 0.42999999999999999 110.711 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 545' ' ' TYR . 86.4 mt -101.1 107.21 20.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.247 -0.888 . . . . 0.39000000000000001 110.807 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.732 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 29.6 tt0 -71.3 132.31 44.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.004 0.431 . . . . 0.59999999999999998 111.055 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 524' ' ' PHE . . . . . 0.403 ' CD2' HG11 ' A' ' 536' ' ' VAL . 44.9 p90 -151.69 139.92 20.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.734 -0.666 . . . . 0.23999999999999999 109.651 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 10.0 p -83.48 143.62 30.11 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.57 -0.53 . . . . 1.24 109.57 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' PHE . . . . . 0.415 ' HD1' HD23 ' A' ' 528' ' ' LEU . 25.2 t80 -134.22 117.61 16.68 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.007 -0.677 . . . . 0.27000000000000002 111.314 -175.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.58 113.51 21.87 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.378 -0.971 . . . . 0.57999999999999996 108.378 170.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.415 HD23 ' HD1' ' A' ' 526' ' ' PHE . 58.4 mt -67.92 -10.66 55.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.932 -0.576 . . . . 0.51000000000000001 111.879 -172.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -103.42 -46.73 4.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.9 0.381 . . . . 2.1800000000000002 110.6 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -86.26 -54.08 4.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.581 0.586 . . . . 4.0999999999999996 112.581 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -67.19 147.32 53.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.446 0.641 . . . . 0.60999999999999999 112.052 -171.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 99.1 t -122.72 131.63 24.35 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.032 -0.985 . . . . 0.28000000000000003 109.196 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.403 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 84.7 Cg_exo -51.35 -37.47 60.76 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.855 3.037 . . . . 0.23999999999999999 113.685 -176.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.14 -33.54 61.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.583 0.23 . . . . 2.3399999999999999 111.286 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -66.09 -45.09 82.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.053 0.454 . . . . 1.0900000000000001 110.058 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.403 HG11 ' CD2' ' A' ' 524' ' ' PHE . 93.3 t -61.39 -42.06 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.56 -0.746 . . . . 0.28000000000000003 110.937 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.66 -24.33 67.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.17000000000000001 110.989 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.452 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 50.5 mm-40 -70.14 -43.88 70.03 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.844 0.354 . . . . 1.0800000000000001 110.192 174.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -59.47 -39.74 84.66 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.497 0.665 . . . . 2.0699999999999998 109.491 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.452 ' HB3' HG23 ' A' ' 546' ' ' VAL . 55.1 mtt -58.26 -41.93 85.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.851 -1.068 . . . . 0.25 111.393 177.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 537' ' ' ALA . 92.9 t -67.91 -42.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.891 -0.595 . . . . 0.23999999999999999 111.064 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.78 -45.24 93.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.77000000000000002 111.538 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 41.4 t -67.75 -22.23 65.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 1.22 111.112 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 106.9 -3.5 35.89 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.629 -0.796 . . . . 0.54000000000000004 112.464 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.574 ' HB3' HD13 ' A' ' 522' ' ' ILE . 53.2 m-85 -64.63 -61.85 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.458 . . . . 0.56000000000000005 110.957 178.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 94.3 t -103.0 142.38 17.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.937 -0.574 . . . . 0.17000000000000001 111.369 -174.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.66 138.87 37.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.16 -0.927 . . . . 0.42999999999999999 108.855 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.57 ' CD ' ' H ' ' A' ' 548' ' ' GLU . 0.3 OUTLIER -67.65 -7.1 23.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.098 -0.501 . . . . 2.7200000000000002 111.342 -177.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.92 -12.45 82.65 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.939 -0.648 . . . . 0.32000000000000001 111.84 174.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -129.38 28.71 5.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.004 0.43 . . . . 1.23 110.889 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' HIS . . . . . 0.452 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 21.1 t-80 -58.39 -47.28 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.23999999999999999 109.935 176.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -65.57 -35.05 79.71 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.528 -0.76 . . . . 2.8999999999999999 110.939 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 553' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 512' ' ' LEU . 8.8 m -61.77 -49.22 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.34999999999999998 110.854 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.577 ' O ' HG13 ' A' ' 558' ' ' ILE . 23.1 mmt -67.92 -42.4 81.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.858 -0.61 . . . . 0.14000000000000001 110.756 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.4 74.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.844 -0.616 . . . . 0.17000000000000001 110.307 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -66.96 -35.8 80.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.887 -0.597 . . . . 1.8300000000000001 110.339 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.638 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -66.76 -43.96 82.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.309 0.576 . . . . 0.17999999999999999 110.221 175.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 554' ' ' MET . 58.2 mt -63.0 -53.01 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.921 -1.036 . . . . 0.17999999999999999 109.897 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 5.4 tmtt? -57.96 -44.93 87.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.484 -0.78 . . . . 2.2000000000000002 109.856 -178.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -51.82 -58.1 7.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.609 -0.723 . . . . 1.03 111.157 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 561' ' ' ARG . 10.5 tpp180 -60.94 -47.39 86.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.574 -0.285 . . . . 1.5700000000000001 111.292 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 558' ' ' ILE . 92.0 t -56.78 -32.29 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.23999999999999999 111.254 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 60.6 m -60.24 -52.96 63.08 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 122.062 0.145 . . . . 0.83999999999999997 110.632 175.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 7.9 mp -53.19 -48.43 68.06 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 120.841 0.353 . . . . 1.7 111.083 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.413 HD13 ' CD1' ' A' ' 500' ' ' ILE . 97.9 mt -57.49 -53.03 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.568 -0.742 . . . . 0.57999999999999996 111.628 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 97.5 mttt -64.91 -30.89 71.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.479 -0.328 . . . . 0.88 111.04 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -64.7 -34.09 77.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.035 0.445 . . . . 3.0 110.446 176.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -72.63 -27.57 62.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.028 -0.533 . . . . 3.4700000000000002 110.424 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -81.89 -10.94 59.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.674 -0.694 . . . . 3.0499999999999998 111.417 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 17.5 mm-40 -67.1 -15.76 63.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.311 0.577 . . . . 2.1600000000000001 110.555 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -130.77 158.05 41.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.229 -0.896 . . . . 5.2800000000000002 109.039 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 . . . . . 0 C--O 1.244 0.773 0 CA-C-O 119.054 -0.498 . . . . 8.0299999999999994 110.585 178.911 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.419 -0.672 . . . . 9.5 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -139.47 135.23 33.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.81 0.338 . . . . 7.3399999999999999 111.558 -175.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -94.26 -10.41 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.855 -0.794 . . . . 10.949999999999999 108.855 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -94.94 159.34 33.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 114.62 -1.173 . . . . 6.7800000000000002 109.693 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -37.33 132.05 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 124.003 3.136 . . . . 7.4500000000000002 113.234 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -55.2 134.52 49.72 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.971 -0.559 . . . . 7.3399999999999999 111.718 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 74.95 114.9 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.492 -1.231 . . . . 6.0300000000000002 111.191 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.22 -29.11 68.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.906 -1.043 . . . . 5.9199999999999999 110.441 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.408 HG22 ' CG2' ' A' ' 485' ' ' VAL . 1.7 m -78.66 111.57 14.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.851 -0.613 . . . . 1.7 109.591 178.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.403 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -77.14 47.58 2.63 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.916 -0.659 . . . . 0.57999999999999996 113.693 -173.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.534 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -154.75 161.21 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.204 0.526 . . . . 0.35999999999999999 111.04 178.824 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.456 ' HD2' ' H ' ' A' ' 487' ' ' VAL . 12.1 tpt180 -161.56 133.86 5.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.023 -0.99 . . . . 2.96 109.856 175.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.456 ' H ' ' HD2' ' A' ' 486' ' ' ARG . 61.6 t -105.55 125.19 60.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.048 -0.524 . . . . 0.23000000000000001 110.927 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.419 ' HG3' ' NH1' ' A' ' 505' ' ' ARG . 11.7 mm-40 -115.58 160.93 19.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.237 -0.892 . . . . 2.0099999999999998 110.774 -176.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.419 HD23 HD23 ' A' ' 502' ' ' LEU . 22.8 mt -87.75 131.29 34.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.046 -0.524 . . . . 0.37 111.213 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -88.04 -4.53 58.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.306 0.574 . . . . 0.42999999999999999 110.324 177.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -146.24 -176.31 5.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.455 -0.793 . . . . 2.02 109.56 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.88 121.38 27.64 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.85 0.357 . . . . 2.3599999999999999 110.617 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -80.86 86.87 5.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.499 0.666 . . . . 1.3700000000000001 110.401 177.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 494' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 497' ' ' LYS . 5.9 t70 -160.2 -165.69 1.52 Allowed 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 107.013 -1.477 . . . . 3.3799999999999999 107.013 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 71.02 -2.7 16.63 Favored Glycine 0 C--N 1.311 -0.838 0 O-C-N 123.235 0.334 . . . . 2.4500000000000002 113.905 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 67.44 29.7 7.21 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.634 0.731 . . . . 3.3500000000000001 109.825 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 494' ' ' ASP . 45.7 mtmt -71.87 129.61 39.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.848 -1.069 . . . . 1.75 110.036 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 22.9 mm -82.35 -33.26 11.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.465 0.65 . . . . 0.68000000000000005 110.244 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 499' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -105.75 127.38 53.05 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.389 -0.823 . . . . 0.45000000000000001 110.703 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.439 ' CD1' HD13 ' A' ' 565' ' ' ILE . 7.9 pt -123.71 179.02 2.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.479 -0.782 . . . . 0.31 110.991 -175.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 501' ' ' LYS . . . . . 0.457 ' HE2' ' HG2' ' A' ' 523' ' ' GLU . 18.7 tptm -127.01 123.4 36.98 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.853 -0.795 . . . . 1.8100000000000001 108.853 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.456 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 26.8 mt -122.94 167.67 13.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.472 -0.331 . . . . 0.59999999999999998 111.428 -174.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.676 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.6 m95 -128.97 124.62 35.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.492 . . . . 0.34000000000000002 109.813 169.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.603 HD21 ' SD ' ' A' ' 554' ' ' MET . 38.3 tp -82.64 98.0 8.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.893 -0.41 . . . . 0.28999999999999998 109.893 176.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.52 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 92.7 mtt180 -89.97 128.13 36.18 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.874 -0.603 . . . . 3.3300000000000001 110.164 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 512' ' ' LEU . 24.8 mm -85.69 114.41 25.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.968 -0.382 . . . . 0.51000000000000001 109.968 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.403 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.7 mm-40 -80.78 -30.48 36.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.19 -0.459 . . . . 1.52 110.941 -178.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -147.25 103.66 3.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.958 0.409 . . . . 0.70999999999999996 110.098 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.491 HG22 HG21 ' A' ' 506' ' ' ILE . 2.3 pp -74.8 -15.0 15.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.70999999999999996 111.3 -177.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -79.54 -27.81 41.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 3.1499999999999999 110.694 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -66.91 -25.56 66.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 3.1899999999999999 111.154 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.514 HD13 ' HE1' ' A' ' 554' ' ' MET . 23.0 mt -92.57 154.2 18.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.699 -0.682 . . . . 0.57999999999999996 111.477 -171.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -101.16 47.53 0.91 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 3.2999999999999998 110.199 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -145.56 -161.11 8.96 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.846 -0.692 . . . . 0.95999999999999996 112.184 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -114.07 97.32 6.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.695 0.283 . . . . 3.5299999999999998 110.516 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 516' ' ' TYR . . . . . 0.418 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 41.5 m-85 -133.14 142.32 48.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.851 0.358 . . . . 0.72999999999999998 110.168 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' A' ' 519' ' ' ASN . 1.6 ttpm? -89.26 148.75 23.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.476 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.22 37.71 0.07 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.188 0.518 . . . . 2.29 111.753 -178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 517' ' ' LYS . 25.0 t-20 177.15 60.65 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.615 -1.254 . . . . 2.5600000000000001 107.615 -178.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 520' ' ' GLU . . . . . 0.448 ' OE1' ' HB3' ' A' ' 517' ' ' LYS . 40.9 tt0 -139.71 132.12 28.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.624 -0.716 . . . . 1.52 110.732 -172.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -137.33 136.34 37.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.703 -0.681 . . . . 0.42999999999999999 110.215 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.532 HD13 ' HB3' ' A' ' 545' ' ' TYR . 94.5 mt -105.48 104.0 16.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.448 -0.796 . . . . 0.39000000000000001 111.033 -175.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.676 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.9 tt0 -69.53 125.47 26.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.203 -0.908 . . . . 0.59999999999999998 110.963 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -149.5 142.33 24.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.23999999999999999 110.067 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 13.4 p -84.57 150.12 25.42 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.077 -0.342 . . . . 1.24 110.077 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -137.77 122.58 18.8 Favored 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 120.292 -0.563 . . . . 0.27000000000000002 110.437 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 12.3 t70 -94.13 116.89 29.36 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.73 -0.841 . . . . 0.57999999999999996 108.73 174.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.12 -14.25 62.83 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 112.809 0.67 . . . . 0.51000000000000001 112.809 -170.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -112.67 -31.64 6.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.293 -0.563 . . . . 2.1800000000000002 111.825 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -86.57 -47.98 8.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.824 0.345 . . . . 4.0999999999999996 111.765 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -86.26 151.92 23.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.41 0.624 . . . . 0.60999999999999999 112.187 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 536' ' ' VAL . 76.6 t -124.98 130.72 24.11 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.054 -0.975 . . . . 0.28000000000000003 109.842 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 86.9 Cg_exo -48.21 -50.88 11.09 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.712 2.274 . . . . 0.23999999999999999 113.332 -172.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -65.66 -37.27 86.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.32 . . . . 2.3399999999999999 111.551 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 14.9 t70 -63.18 -39.74 95.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.504 0.668 . . . . 1.0900000000000001 109.873 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 532' ' ' VAL . 94.3 t -71.77 -37.53 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.068 -0.969 . . . . 0.28000000000000003 111.289 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.72 -22.97 66.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.815 -0.354 . . . . 0.17000000000000001 110.262 176.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 11.5 mm100 -70.76 -44.35 66.93 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.671 -0.492 . . . . 1.0800000000000001 109.671 172.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' GLU . . . . . 0.466 ' HG3' ' HA ' ' A' ' 536' ' ' VAL . 20.2 mt-10 -57.45 -41.67 80.98 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.028 -0.73 . . . . 2.0699999999999998 109.028 175.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.454 ' HB3' HG23 ' A' ' 546' ' ' VAL . 50.4 mtt -55.49 -44.54 76.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.155 -0.929 . . . . 0.25 111.196 177.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 537' ' ' ALA . 52.1 t -66.76 -46.02 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.317 -0.402 . . . . 0.23999999999999999 110.479 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 542' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 45.5 mt-10 -65.22 -36.2 83.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.529 . . . . 0.77000000000000002 111.762 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.8 m -74.98 -12.1 60.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 1.22 111.412 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 91.26 23.93 28.06 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.69 -0.766 . . . . 0.54000000000000004 112.506 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.532 ' HB3' HD13 ' A' ' 522' ' ' ILE . 39.0 m-85 -93.12 -55.18 3.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.178 0.513 . . . . 0.56000000000000005 110.815 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 98.5 t -112.53 146.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.554 -0.748 . . . . 0.17000000000000001 111.219 -172.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 44.4 t -78.6 136.99 37.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.035 -0.728 . . . . 0.42999999999999999 109.035 173.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.6 -22.09 55.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.941 -0.572 . . . . 2.7200000000000002 111.703 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -68.84 -25.86 74.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.065 -0.588 . . . . 0.32000000000000001 112.495 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -114.43 30.04 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.118 0.485 . . . . 1.23 111.107 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -56.82 -46.35 81.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.62 -0.718 . . . . 0.23999999999999999 110.453 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -67.28 -35.43 79.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 2.8999999999999999 110.813 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 11.3 m -59.44 -50.36 74.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.634 -0.712 . . . . 0.34999999999999998 110.769 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.603 ' SD ' HD21 ' A' ' 504' ' ' LEU . 23.4 mmt -68.82 -45.21 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.864 -0.607 . . . . 0.14000000000000001 110.675 -177.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.44 -31.6 71.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.533 -0.758 . . . . 0.17000000000000001 111.024 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 5.1 tmtm? -64.52 -45.65 86.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.023 -0.732 . . . . 1.8300000000000001 109.023 177.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.534 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.6 -43.66 97.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.735 -0.666 . . . . 0.17999999999999999 110.489 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 562' ' ' VAL . 54.8 mt -62.85 -50.68 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.416 -0.811 . . . . 0.17999999999999999 109.659 178.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 559' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 2.9 tmtp? -61.5 -48.03 82.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.535 -0.757 . . . . 2.2000000000000002 110.403 -176.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 29.7 t70 -55.09 -45.6 75.45 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.364 -0.38 . . . . 1.03 111.1 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' A' ' 561' ' ' ARG . 0.4 OUTLIER -70.21 -44.7 68.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.083 -0.508 . . . . 1.5700000000000001 110.948 179.372 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 558' ' ' ILE . 76.2 t -60.81 -36.32 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.23999999999999999 111.073 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.0 t -59.81 -43.1 94.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.42 . . . . 0.83999999999999997 110.159 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 71.6 mt -66.74 -44.13 82.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.542 0.687 . . . . 1.7 110.351 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.439 HD13 ' CD1' ' A' ' 500' ' ' ILE . 86.4 mt -60.23 -49.37 84.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.006 -0.997 . . . . 0.57999999999999996 111.401 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 95.1 mttt -67.07 -30.64 70.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.873 -0.603 . . . . 0.88 111.552 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.448 ' HD2' ' OE1' ' A' ' 570' ' ' GLU . 29.4 tpt180 -57.61 -41.72 81.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 3.0 111.092 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -66.89 -28.45 68.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.325 0.583 . . . . 3.4700000000000002 110.268 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.53 HH11 ' HG3' ' A' ' 569' ' ' ARG . 53.1 mtt85 -83.46 -16.05 47.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.409 -0.814 . . . . 3.0499999999999998 111.682 -178.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 566' ' ' LYS . 32.2 mt-10 -73.65 -17.3 61.17 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.404 -0.591 . . . . 2.1600000000000001 109.404 175.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 63.78 -165.25 0.24 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.907 -1.042 . . . . 5.2800000000000002 110.728 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.852 -0.594 . . . . 8.0299999999999994 109.79 177.768 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.724 -0.55 . . . . 9.5 111.724 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -108.85 123.94 49.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.784 0.292 . . . . 7.3399999999999999 110.73 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -82.62 -5.52 58.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.305 0.574 . . . . 10.949999999999999 109.868 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -98.45 142.79 25.18 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.403 -0.817 . . . . 6.7800000000000002 110.385 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.55 5.21 5.72 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.902 2.401 . . . . 7.4500000000000002 112.522 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -86.75 -12.07 49.23 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.993 0.425 . . . . 7.3399999999999999 110.414 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 72.06 35.62 1.26 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.196 -0.911 . . . . 6.0300000000000002 109.945 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -77.18 93.79 3.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.872 -0.603 . . . . 5.9199999999999999 109.811 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 2.1 m -80.48 -17.2 52.36 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.966 -0.561 . . . . 1.7 110.786 -178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 75.88 3.66 74.74 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.087 -0.577 . . . . 0.57999999999999996 112.347 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 1.6 m -147.58 158.11 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 122.634 0.374 . . . . 0.35999999999999999 110.176 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -173.47 141.06 0.86 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.432 -0.804 . . . . 2.96 109.052 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.622 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 64.6 t -109.34 140.64 27.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 C-N-CA 120.822 -0.351 . . . . 0.23000000000000001 110.675 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.484 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 28.6 mt-10 -122.87 164.77 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 2.0099999999999998 110.583 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.542 HD23 HD23 ' A' ' 502' ' ' LEU . 92.3 mt -86.79 138.99 31.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.764 -0.653 . . . . 0.37 110.737 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.487 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -89.12 -12.99 39.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.785 0.802 . . . . 0.42999999999999999 109.506 174.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.89 -170.12 2.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.705 -1.134 . . . . 2.02 109.424 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -110.73 96.24 6.05 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.99 0.424 . . . . 2.3599999999999999 110.454 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 493' ' ' ASP . . . . . 0.416 ' H ' HD13 ' A' ' 489' ' ' LEU . 27.3 t70 -74.22 88.71 2.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.883 -0.599 . . . . 1.3700000000000001 110.904 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -123.96 -19.16 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.603 . . . . 3.3799999999999999 110.915 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -87.15 -114.69 1.01 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.07 -0.586 . . . . 2.4500000000000002 112.505 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -149.03 53.46 0.97 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 122.83 0.452 . . . . 3.3500000000000001 109.939 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -68.47 135.56 51.84 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.105 0.479 . . . . 1.75 111.093 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 23.2 mm -89.57 -29.0 5.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.809 -0.811 . . . . 0.68000000000000005 108.809 172.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 499' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -128.94 122.85 31.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.087 -0.96 . . . . 0.45000000000000001 110.214 178.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 502' ' ' LEU . 12.6 pt -112.75 177.39 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.739 -0.664 . . . . 0.31 110.954 -175.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -127.48 112.96 15.54 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.992 -0.744 . . . . 1.8100000000000001 108.992 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.622 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 42.5 mt -115.79 162.54 17.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.342 -0.39 . . . . 0.59999999999999998 111.542 -173.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.632 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.3 m95 -125.05 121.51 34.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.495 -0.557 . . . . 0.34000000000000002 109.495 168.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 23.7 tp -74.27 107.89 6.72 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.735 -0.469 . . . . 0.28999999999999998 109.735 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -98.45 130.11 45.06 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.161 -0.472 . . . . 3.3300000000000001 110.849 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.618 HG21 HG22 ' A' ' 509' ' ' ILE . 26.0 mm -93.31 112.15 25.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.095 -0.502 . . . . 0.51000000000000001 109.837 177.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -81.97 -53.49 6.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.034 -0.53 . . . . 1.52 110.869 -177.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -128.62 103.77 7.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.954 -0.566 . . . . 0.70999999999999996 109.71 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.618 HG22 HG21 ' A' ' 506' ' ' ILE . 2.2 pp -74.72 -18.85 16.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.70999999999999996 111.488 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.12 -25.14 59.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.257 -0.429 . . . . 3.1499999999999999 110.79 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -19.15 61.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.184 -0.462 . . . . 3.1899999999999999 110.679 176.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.463 HD11 HG23 ' A' ' 506' ' ' ILE . 29.2 mt -99.94 149.29 23.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.97 -0.559 . . . . 0.57999999999999996 110.676 -176.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -97.54 75.85 2.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.473 -0.566 . . . . 3.2999999999999998 109.473 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -169.56 -151.44 7.33 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.798 -0.715 . . . . 0.95999999999999996 111.841 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -132.0 103.41 6.27 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.597 -0.52 . . . . 3.5299999999999998 109.597 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -138.32 155.46 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.007 -0.542 . . . . 0.72999999999999998 110.512 -173.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 519' ' ' ASN . 87.2 mttt -89.37 147.29 24.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.349 -0.611 . . . . 1.98 109.349 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.64 26.12 0.32 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.892 0.853 . . . . 2.29 111.25 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 517' ' ' LYS . 28.5 p-10 -160.43 24.06 0.16 Allowed 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.464 -1.244 . . . . 2.5600000000000001 108.738 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 520' ' ' GLU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 33.9 tt0 -81.31 133.44 35.43 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.275 -0.875 . . . . 1.52 110.133 -174.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -133.44 118.85 18.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.794 -0.639 . . . . 0.42999999999999999 110.506 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.566 HD13 ' HB3' ' A' ' 545' ' ' TYR . 95.5 mt -102.52 105.1 17.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.208 -0.905 . . . . 0.39000000000000001 110.554 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.632 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.1 tt0 -69.08 129.7 40.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.68 -0.691 . . . . 0.59999999999999998 111.331 -178.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -153.06 140.9 20.12 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.582 -0.525 . . . . 0.23999999999999999 109.582 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 19.7 m -88.28 145.27 25.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.849 -0.426 . . . . 1.24 109.849 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -131.7 114.83 15.25 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.892 -0.323 . . . . 0.27000000000000002 110.499 -175.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 527' ' ' ASP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.0 t70 -81.1 114.42 19.93 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.642 -0.873 . . . . 0.57999999999999996 108.642 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.98 -18.69 64.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.11 -0.496 . . . . 0.51000000000000001 111.642 -173.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.48 -40.85 5.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.167 -0.47 . . . . 2.1800000000000002 111.228 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' ARG . . . . . 0.552 ' HA ' ' NE ' ' A' ' 530' ' ' ARG . 3.0 mmp_? -93.52 -40.47 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.247 0.832 . . . . 4.0999999999999996 113.247 -177.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.97 152.82 30.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.357 0.599 . . . . 0.60999999999999999 111.825 -174.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.484 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 83.4 t -125.79 133.71 25.17 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.303 -0.862 . . . . 0.28000000000000003 109.449 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 533' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 44.8 Cg_exo -56.99 -38.54 95.79 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.343 2.696 . . . . 0.23999999999999999 113.007 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -78.42 -24.04 46.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.134 -0.485 . . . . 2.3399999999999999 110.932 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.484 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 8.2 t70 -73.18 -44.77 59.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.423 0.63 . . . . 1.0900000000000001 109.58 178.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.17 -40.87 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.359 -0.837 . . . . 0.28000000000000003 110.903 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.644 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.94 -24.72 67.61 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.868 -0.333 . . . . 0.17000000000000001 110.895 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 70.3 mm-40 -66.45 -45.69 78.94 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.953 0.406 . . . . 1.0800000000000001 110.02 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -59.83 -41.53 91.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.713 -0.676 . . . . 2.0699999999999998 109.64 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.51 ' SD ' HD22 ' A' ' 504' ' ' LEU . 53.4 mtt -56.4 -43.18 79.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.177 -0.92 . . . . 0.25 110.968 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 537' ' ' ALA . 95.3 t -68.18 -50.54 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.855 -0.611 . . . . 0.23999999999999999 110.925 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.01 -36.01 82.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.782 0.325 . . . . 0.77000000000000002 111.385 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 19.3 t -72.49 -16.34 61.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.198 -0.456 . . . . 1.22 111.133 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 99.59 1.36 56.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.749 . . . . 0.54000000000000004 112.652 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.566 ' HB3' HD13 ' A' ' 522' ' ' ILE . 41.0 m-85 -73.12 -43.61 61.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.023 0.44 . . . . 0.56000000000000005 111.034 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 90.1 t -121.23 148.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.895 -0.593 . . . . 0.17000000000000001 110.764 -175.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 40.8 t -87.8 134.9 33.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.482 -0.932 . . . . 0.42999999999999999 108.482 173.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' GLU . . . . . 0.499 ' HB2' HG11 ' A' ' 541' ' ' VAL . 31.4 tt0 -60.62 -20.41 60.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.961 -0.563 . . . . 2.7200000000000002 111.316 -174.173 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -65.99 -19.91 68.25 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.051 -0.595 . . . . 0.32000000000000001 112.069 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.97 27.91 7.46 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.848 0.356 . . . . 1.23 111.39 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -55.15 -49.5 71.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.23999999999999999 109.98 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -62.71 -37.42 86.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 2.8999999999999999 111.041 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 19.1 m -60.59 -47.52 85.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.34999999999999998 110.845 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.598 ' O ' HG13 ' A' ' 558' ' ' ILE . 25.0 mmt -70.28 -45.48 66.26 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.917 -0.583 . . . . 0.14000000000000001 110.757 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.98 75.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.661 -0.7 . . . . 0.17000000000000001 110.541 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 556' ' ' LYS . . . . . 0.511 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 6.4 tmtm? -66.23 -44.9 82.47 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.907 -0.775 . . . . 1.8300000000000001 108.907 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -55.45 -45.74 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.263 0.554 . . . . 0.17999999999999999 110.296 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 554' ' ' MET . 51.9 mt -62.52 -50.04 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.238 -0.892 . . . . 0.17999999999999999 110.164 177.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -65.88 -34.7 78.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.635 -0.711 . . . . 2.2000000000000002 110.73 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -61.42 -48.41 81.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.903 -0.59 . . . . 1.03 110.774 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.66 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.8 tpt180 -67.06 -48.84 67.03 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.279 -0.419 . . . . 1.5700000000000001 110.326 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 558' ' ' ILE . 96.6 t -57.63 -35.04 48.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.049 -0.523 . . . . 0.23999999999999999 111.215 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 13.4 t -64.3 -48.13 76.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.758 -0.201 . . . . 0.83999999999999997 110.81 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -69.95 -32.9 71.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.298 0.57 . . . . 1.7 110.161 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.71 -58.07 8.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.353 -0.839 . . . . 0.57999999999999996 110.852 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.85 -33.0 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.88 111.255 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 567' ' ' ARG . . . . . 0.558 ' HD3' ' OE1' ' A' ' 570' ' ' GLU . 13.1 tpp180 -57.11 -35.22 69.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.05 0.452 . . . . 3.0 110.662 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -70.64 -31.03 67.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 3.4700000000000002 110.24 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.597 ' N ' ' HD2' ' A' ' 569' ' ' ARG . 0.4 OUTLIER -75.12 -18.74 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.947 -0.57 . . . . 3.0499999999999998 111.093 178.438 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.558 ' OE1' ' HD3' ' A' ' 567' ' ' ARG . 22.6 mt-10 -78.53 -24.36 45.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.342 0.591 . . . . 2.1600000000000001 109.504 174.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -80.96 80.38 7.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.325 -0.852 . . . . 5.2800000000000002 110.143 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 572' ' ' ARG . 14.2 mmm-85 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.48 -0.771 . . . . 8.0299999999999994 109.497 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.932 -0.467 . . . . 9.5 111.932 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -147.96 23.6 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.524 0.162 . . . . 7.3399999999999999 110.663 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 90.5 mtp 68.16 -66.28 0.23 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.153 0.581 . . . . 10.949999999999999 109.927 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -79.64 150.29 72.68 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.867 -0.606 . . . . 6.7800000000000002 109.573 174.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.93 74.02 1.86 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.624 2.216 . . . . 7.4500000000000002 111.587 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 40.41 64.87 0.85 Allowed 'General case' 0 C--O 1.237 0.396 0 C-N-CA 123.982 0.913 . . . . 7.3399999999999999 111.405 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -75.98 52.98 0.74 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.379 -0.828 . . . . 6.0300000000000002 110.574 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' GLU . . . . . 0.455 ' O ' ' HE3' ' A' ' 511' ' ' LYS . 10.4 pt-20 -139.22 17.63 2.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.137 -0.938 . . . . 5.9199999999999999 108.767 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.509 ' HA ' HG23 ' A' ' 553' ' ' THR . 5.3 p -115.03 -76.89 0.57 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.472 -0.786 . . . . 1.7 111.756 -175.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.507 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . 67.45 35.27 86.74 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.023 -1.084 . . . . 0.57999999999999996 110.472 -170.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.54 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -151.67 162.8 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 114.778 -0.711 . . . . 0.35999999999999999 110.092 178.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 505' ' ' ARG . 9.0 tpp180 -160.18 141.65 12.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.822 -0.626 . . . . 2.96 110.265 174.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 58.9 t -113.92 134.44 56.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 116.105 -0.498 . . . . 0.23000000000000001 110.22 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -130.12 161.98 29.85 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.691 -0.686 . . . . 2.0099999999999998 110.686 -178.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 489' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.01 128.58 34.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.065 -0.97 . . . . 0.37 110.732 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.553 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -75.05 -13.97 60.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.487 0.66 . . . . 0.42999999999999999 110.074 176.104 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -145.39 -178.25 5.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.032 -0.986 . . . . 2.02 110.013 -172.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -85.29 124.01 31.42 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.953 -0.388 . . . . 2.3599999999999999 109.953 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -81.8 88.87 6.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.428 0.632 . . . . 1.3700000000000001 111.361 -176.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 494' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' A' ' 497' ' ' LYS . 11.7 t70 -155.85 -154.5 0.49 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 106.365 -1.717 . . . . 3.3799999999999999 106.365 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 73.77 -3.29 36.13 Favored Glycine 0 C--N 1.312 -0.783 0 C-N-CA 121.194 -0.527 . . . . 2.4500000000000002 114.379 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 64.75 10.58 6.14 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.985 0.514 . . . . 3.3500000000000001 111.739 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 497' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 494' ' ' ASP . 38.6 pttt -65.78 121.56 15.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.903 -0.59 . . . . 1.75 110.131 175.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 498' ' ' ILE . . . . . 0.44 HD12 ' HG3' ' A' ' 529' ' ' GLU . 30.0 mm -76.82 -33.19 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.399 0.619 . . . . 0.68000000000000005 110.597 -175.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -102.71 118.35 36.64 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.636 -0.711 . . . . 0.45000000000000001 110.817 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 500' ' ' ILE . . . . . 0.422 ' CD1' HD13 ' A' ' 565' ' ' ILE . 12.0 pt -114.36 -177.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.28 -0.873 . . . . 0.31 110.871 -175.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -129.02 114.76 16.8 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.909 -0.587 . . . . 1.8100000000000001 110.035 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.442 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 37.9 mt -113.68 161.71 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 0.59999999999999998 110.406 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.713 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.3 m95 -123.61 126.51 46.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.797 0.332 . . . . 0.34000000000000002 110.628 172.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 49.5 tp -83.29 97.6 8.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.003 -0.544 . . . . 0.28999999999999998 110.397 176.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 505' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 486' ' ' ARG . 38.1 mtp180 -80.12 118.31 21.71 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.699 -0.682 . . . . 3.3300000000000001 110.748 178.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.409 HG21 HG22 ' A' ' 509' ' ' ILE . 24.1 mm -85.75 111.77 21.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.539 -0.541 . . . . 0.51000000000000001 109.539 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 507' ' ' GLU . . . . . 0.507 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 11.4 mm-40 -93.55 -43.34 8.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.953 -0.567 . . . . 1.52 112.429 -171.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -143.34 97.48 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.966 0.412 . . . . 0.70999999999999996 110.522 -176.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.409 HG22 HG21 ' A' ' 506' ' ' ILE . 2.2 pp -74.75 -1.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.4 0.518 . . . . 0.70999999999999996 112.4 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -77.36 -22.1 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.218 0.533 . . . . 3.1499999999999999 109.933 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 511' ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' A' ' 482' ' ' GLU . 14.0 tptp -79.43 -30.8 42.42 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.567 0.698 . . . . 3.1899999999999999 109.434 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 28.4 mt -85.95 144.47 27.62 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.94 -1.027 . . . . 0.57999999999999996 110.657 -173.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -101.27 50.4 0.86 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.637 0.732 . . . . 3.2999999999999998 109.666 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -149.99 176.09 28.8 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.239 -0.892 . . . . 0.95999999999999996 111.368 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -98.59 76.13 2.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.085 0.469 . . . . 3.5299999999999998 110.528 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -94.56 179.17 5.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.716 -0.675 . . . . 0.72999999999999998 110.001 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -109.73 127.78 54.84 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.069 -0.715 . . . . 1.98 109.069 172.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -80.36 37.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.624 0.726 . . . . 2.29 111.068 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -168.67 28.93 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.274 -0.876 . . . . 2.5600000000000001 110.019 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -123.74 148.57 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.52 111.147 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -128.36 132.58 48.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.42999999999999999 109.958 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.444 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 85.4 mt -104.42 106.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.64 -0.709 . . . . 0.39000000000000001 111.047 -175.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.713 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.3 tt0 -68.54 125.89 27.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.729 -0.669 . . . . 0.59999999999999998 110.951 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 524' ' ' PHE . . . . . 0.414 ' CD2' HG11 ' A' ' 536' ' ' VAL . 36.6 p90 -140.62 143.78 35.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.434 . . . . 0.23999999999999999 109.877 176.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.4 p -89.55 142.48 27.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.408 -0.36 . . . . 1.24 110.295 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 526' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 528' ' ' LEU . 22.9 t80 -129.53 115.99 18.26 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 120.472 -0.491 . . . . 0.27000000000000002 110.963 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -82.23 107.52 14.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.499 -0.926 . . . . 0.57999999999999996 108.499 171.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 526' ' ' PHE . 84.3 mt -65.03 -10.4 29.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.216 0.821 . . . . 0.51000000000000001 113.216 -171.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 529' ' ' GLU . . . . . 0.44 ' HG3' HD12 ' A' ' 498' ' ' ILE . 39.2 mt-10 -109.71 -34.73 6.39 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.767 -0.373 . . . . 2.1800000000000002 111.747 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 530' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 530' ' ' ARG . 1.8 mmp_? -96.46 -40.76 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.51 0.559 . . . . 4.0999999999999996 112.51 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.53 153.75 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.503 0.668 . . . . 0.60999999999999999 111.7 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 69.4 t -127.64 137.7 31.28 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 114.959 -1.018 . . . . 0.28000000000000003 108.738 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -50.1 -48.41 19.87 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.483 2.122 . . . . 0.23999999999999999 112.219 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.06 -33.05 73.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 2.3399999999999999 111.681 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 12.6 t70 -69.38 -43.33 73.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.07 0.462 . . . . 1.0900000000000001 110.019 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 524' ' ' PHE . 99.6 t -64.17 -39.95 87.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.681 -0.69 . . . . 0.28000000000000003 110.451 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.04 -27.22 68.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.375 . . . . 0.17000000000000001 110.614 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.581 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 13.5 mm-40 -68.01 -45.57 73.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 110.057 -0.349 . . . . 1.0800000000000001 110.057 173.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -55.68 -45.37 77.79 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.865 -0.607 . . . . 2.0699999999999998 109.524 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.525 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 55.5 mtt -54.68 -44.17 73.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.972 -1.013 . . . . 0.25 111.487 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.649 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.0 t -69.59 -44.01 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.322 -0.399 . . . . 0.23999999999999999 110.985 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.42 -40.79 73.64 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.673 0.249 . . . . 0.77000000000000002 111.673 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 39.0 m -74.7 -11.67 60.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.739 0.304 . . . . 1.22 111.465 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 94.97 29.18 9.27 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.581 -0.818 . . . . 0.54000000000000004 113.62 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.57 -43.51 6.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.259 0.552 . . . . 0.56000000000000005 110.379 176.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.649 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 92.3 t -120.42 147.97 23.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.56 -0.746 . . . . 0.17000000000000001 111.064 -173.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 38.1 t -83.03 144.0 30.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.531 -0.759 . . . . 0.42999999999999999 109.15 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.46 -23.69 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.698 -0.683 . . . . 2.7200000000000002 111.929 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.86 -20.7 77.68 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.851 -0.69 . . . . 0.32000000000000001 112.096 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -100.53 7.46 44.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.884 0.373 . . . . 1.23 110.451 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' HIS . . . . . 0.581 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 45.3 t-80 -53.32 -47.44 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.23999999999999999 110.637 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -64.81 -41.06 96.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.675 . . . . 2.8999999999999999 110.429 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' THR . . . . . 0.509 HG23 ' HA ' ' A' ' 483' ' ' THR . 25.1 m -61.96 -49.04 77.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.01 -0.996 . . . . 0.34999999999999998 111.485 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.578 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.8 mmt -66.91 -44.79 79.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.923 -0.58 . . . . 0.14000000000000001 111.164 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -59.54 -34.8 73.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.501 . . . . 0.17000000000000001 110.712 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -68.84 -35.79 77.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.868 -0.605 . . . . 1.8300000000000001 110.102 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.54 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -65.31 -43.06 92.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.203 0.525 . . . . 0.17999999999999999 109.936 174.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 554' ' ' MET . 62.3 mt -64.13 -50.57 76.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.071 -0.968 . . . . 0.17999999999999999 110.617 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -64.37 -33.5 76.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.02 -0.536 . . . . 2.2000000000000002 110.851 -176.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 560' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 18.2 t70 -55.96 -42.79 76.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.042 0.449 . . . . 1.03 110.272 178.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.417 ' HG3' HD11 ' A' ' 565' ' ' ILE . 16.2 tpp180 -76.25 -49.07 18.06 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.742 -0.663 . . . . 1.5700000000000001 111.087 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 558' ' ' ILE . 60.2 t -60.67 -35.79 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.714 -0.221 . . . . 0.23999999999999999 111.445 -175.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 20.6 t -61.12 -43.67 98.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.993 -0.373 . . . . 0.83999999999999997 109.993 176.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 83.9 mt -66.17 -45.02 82.37 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.893 -0.594 . . . . 1.7 110.42 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.422 HD13 ' CD1' ' A' ' 500' ' ' ILE . 89.0 mt -53.22 -57.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.452 -0.795 . . . . 0.57999999999999996 111.376 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 98.3 mttt -60.66 -38.43 84.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.951 -0.568 . . . . 0.88 110.669 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -62.86 -44.97 94.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 3.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -64.47 -29.99 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.364 . . . . 3.4700000000000002 110.763 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -75.62 -20.89 58.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.907 -0.588 . . . . 3.0499999999999998 111.301 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 9.1 mm-40 -79.41 52.18 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.18 0.514 . . . . 2.1600000000000001 111.063 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -137.69 131.7 31.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.476 -0.784 . . . . 5.2800000000000002 109.247 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.574 -0.727 . . . . 8.0299999999999994 109.986 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.769 -0.532 . . . . 9.5 111.769 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 476' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 477' ' ' MET . . . -140.06 7.12 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.679 0.239 . . . . 7.3399999999999999 111.179 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 477' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' A' ' 476' ' ' ALA . 13.8 tpt 71.65 -42.64 0.54 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.22 0.608 . . . . 10.949999999999999 110.871 -174.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 478' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 2.9 p30 -74.78 134.64 75.18 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 121.066 0.46 . . . . 6.7800000000000002 109.787 172.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 479' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 41.0 Cg_exo -60.1 -32.3 94.5 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.969 2.446 . . . . 7.4500000000000002 111.808 175.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' A' ' 481' ' ' GLU . 52.8 tt0 -174.39 85.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.283 -0.872 . . . . 7.3399999999999999 109.881 176.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 481' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 480' ' ' GLN . 39.0 tt0 77.31 129.45 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 124.026 0.829 . . . . 6.0300000000000002 111.549 178.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.63 87.32 0.33 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.609 -0.723 . . . . 5.9199999999999999 110.327 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 4.9 m -86.77 148.85 25.23 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.561 -0.903 . . . . 1.7 108.561 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -74.31 34.73 0.95 Allowed Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.132 -0.556 . . . . 0.57999999999999996 113.773 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.51 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.8 OUTLIER -150.38 155.87 7.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 123.089 0.555 . . . . 0.35999999999999999 110.273 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 486' ' ' ARG . . . . . 0.444 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 16.4 tpp180 -163.37 134.07 4.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.961 -0.563 . . . . 2.96 110.315 177.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 487' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 47.8 t -107.46 132.3 55.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.538 -0.756 . . . . 0.23000000000000001 111.173 -176.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -114.41 160.21 19.41 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.378 -0.828 . . . . 2.0099999999999998 110.602 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 489' ' ' LEU . . . . . 0.558 HD23 HD23 ' A' ' 502' ' ' LEU . 58.2 mt -91.56 133.84 35.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.685 -0.689 . . . . 0.37 110.022 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 490' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -83.28 -2.96 56.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.404 0.621 . . . . 0.42999999999999999 110.544 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -156.47 169.55 24.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.455 -0.793 . . . . 2.02 109.984 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.78 117.18 15.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.203 -0.453 . . . . 2.3599999999999999 110.178 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -82.9 95.58 8.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.097 0.475 . . . . 1.3700000000000001 111.349 -177.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -169.33 134.01 1.45 Allowed 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.078 -1.082 . . . . 3.3799999999999999 108.078 173.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 127.75 12.51 2.98 Favored Glycine 0 C--N 1.312 -0.798 0 C-N-CA 120.802 -0.713 . . . . 2.4500000000000002 112.042 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 61.57 41.81 11.94 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.997 0.903 . . . . 3.3500000000000001 109.853 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -70.56 113.97 8.2 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.176 -1.375 . . . . 1.75 109.862 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 31.6 mm -73.14 -33.92 43.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.656 0.741 . . . . 0.68000000000000005 109.624 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -122.21 123.55 41.76 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.734 -1.121 . . . . 0.45000000000000001 110.127 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.2 pt -117.99 176.7 2.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.726 -0.67 . . . . 0.31 111.014 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -122.69 115.61 22.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.681 -0.69 . . . . 1.8100000000000001 109.478 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 502' ' ' LEU . . . . . 0.558 HD23 HD23 ' A' ' 489' ' ' LEU . 44.2 mt -113.85 160.33 18.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.814 -0.63 . . . . 0.59999999999999998 110.833 -175.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 503' ' ' TRP . . . . . 0.657 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 41.3 m95 -124.56 124.69 42.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.852 -0.425 . . . . 0.34000000000000002 109.852 168.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 504' ' ' LEU . . . . . 0.578 HD21 ' SD ' ' A' ' 554' ' ' MET . 28.8 tp -85.77 109.83 18.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.372 -0.377 . . . . 0.28999999999999998 110.429 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -102.2 137.16 40.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.948 0.404 . . . . 3.3300000000000001 110.392 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' ILE . . . . . 0.539 HG21 HG22 ' A' ' 509' ' ' ILE . 28.4 mm -88.76 121.56 39.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.877 -0.601 . . . . 0.51000000000000001 109.634 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -86.75 -28.22 23.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.85 -0.614 . . . . 1.52 111.057 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -148.75 98.14 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.005 -0.543 . . . . 0.70999999999999996 109.628 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.539 HG22 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -74.74 -24.32 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.86 0.689 . . . . 0.70999999999999996 112.86 -172.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 510' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 511' ' ' LYS . 0.8 OUTLIER -88.5 -14.24 38.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.722 -0.391 . . . . 3.1499999999999999 111.77 -173.529 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 511' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 510' ' ' LYS . 26.4 mmmt -81.6 -14.48 56.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.918 0.39 . . . . 3.1899999999999999 110.586 174.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 512' ' ' LEU . . . . . 0.598 HD22 ' OD2' ' A' ' 550' ' ' ASP . 71.3 mt -94.14 160.68 14.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.324 0.583 . . . . 0.57999999999999996 111.828 -175.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 513' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 547' ' ' CYS . 69.4 mmtt -94.0 87.22 5.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.31 -0.859 . . . . 3.2999999999999998 109.786 173.088 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 159.69 166.66 19.04 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.066 -0.588 . . . . 0.95999999999999996 111.914 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -93.15 106.61 18.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.858 0.361 . . . . 3.5299999999999998 110.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -128.74 149.28 50.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.229 -0.441 . . . . 0.72999999999999998 109.934 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -87.9 144.42 26.58 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.437 -0.347 . . . . 1.98 110.225 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.66 32.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.052 0.76 . . . . 2.29 113.052 -167.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 30.5 p30 179.4 25.13 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.095 -0.502 . . . . 2.5600000000000001 111.792 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.38 154.52 17.22 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.139 0.495 . . . . 1.52 110.609 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -127.62 148.01 50.37 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.323 -0.853 . . . . 0.42999999999999999 110.297 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' ILE . . . . . 0.661 HD13 ' HB3' ' A' ' 545' ' ' TYR . 82.1 mt -120.81 103.53 13.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.334 -0.848 . . . . 0.39000000000000001 110.184 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 523' ' ' GLU . . . . . 0.657 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 12.8 tt0 -70.24 124.83 25.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.339 -0.392 . . . . 0.59999999999999998 110.697 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 524' ' ' PHE . . . . . 0.429 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 26.5 p90 -144.47 140.1 28.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.221 -0.445 . . . . 0.23999999999999999 109.821 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 49.5 m -90.47 144.43 25.8 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.764 -0.458 . . . . 1.24 109.764 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -131.38 118.22 19.96 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.31 -0.556 . . . . 0.27000000000000002 111.1 -175.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -83.27 105.8 14.53 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.87 -1.159 . . . . 0.57999999999999996 107.87 170.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' LEU . . . . . 0.413 HD22 HG13 ' A' ' 562' ' ' VAL . 57.0 mt -61.26 -18.79 60.13 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.679 -0.691 . . . . 0.51000000000000001 112.787 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -104.89 -40.48 5.92 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.914 -0.314 . . . . 2.1800000000000002 111.53 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -86.38 -49.35 7.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.172 0.434 . . . . 4.0999999999999996 112.172 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -73.11 144.44 46.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.611 0.72 . . . . 0.60999999999999999 111.692 -173.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 532' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 536' ' ' VAL . 99.3 t -112.43 134.14 21.64 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 114.949 -1.023 . . . . 0.28000000000000003 108.849 176.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.93 -39.02 49.56 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.09 2.527 . . . . 0.23999999999999999 113.097 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' GLU . . . . . 0.404 ' H ' HG12 ' A' ' 532' ' ' VAL . 41.8 mt-10 -72.89 -34.88 66.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 2.3399999999999999 110.94 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 535' ' ' ASP . . . . . 0.521 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 25.5 t70 -64.56 -44.73 89.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.638 0.733 . . . . 1.0900000000000001 110.319 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 536' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 532' ' ' VAL . 53.4 t -71.11 -36.56 63.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.075 -0.966 . . . . 0.28000000000000003 111.109 -178.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 537' ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.25 -26.5 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.17000000000000001 110.138 175.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 538' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 51.6 mm-40 -66.47 -47.79 71.95 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.907 -0.405 . . . . 1.0800000000000001 109.907 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.63 -40.4 68.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.137 0.494 . . . . 2.0699999999999998 110.027 175.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 540' ' ' MET . . . . . 0.501 ' HB3' HG23 ' A' ' 546' ' ' VAL . 53.4 mtt -57.19 -46.4 82.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.305 -0.861 . . . . 0.25 111.324 177.124 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 541' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 537' ' ' ALA . 58.7 t -69.68 -47.84 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.895 -0.593 . . . . 0.23999999999999999 110.862 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -60.21 -35.16 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.77000000000000002 111.864 -177.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.4 m -84.53 -4.8 59.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.647 0.26 . . . . 1.22 111.518 -176.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 89.15 17.63 55.38 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.63 -0.795 . . . . 0.54000000000000004 113.539 176.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' TYR . . . . . 0.661 ' HB3' HD13 ' A' ' 522' ' ' ILE . 49.4 m-85 -87.52 -53.82 4.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.09 0.471 . . . . 0.56000000000000005 110.102 177.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 546' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 87.2 t -106.59 146.57 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.17000000000000001 110.418 -178.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 547' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 513' ' ' LYS . 42.4 t -84.86 145.27 27.9 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.665 -0.865 . . . . 0.42999999999999999 108.665 173.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -3.53 3.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.699 0.629 . . . . 2.7200000000000002 112.699 -172.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -86.36 -11.73 71.53 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.626 -0.797 . . . . 0.32000000000000001 112.884 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' ASP . . . . . 0.598 ' OD2' HD22 ' A' ' 512' ' ' LEU . 4.6 t70 -123.25 26.87 7.79 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.076 0.465 . . . . 1.23 111.004 -178.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 551' ' ' HIS . . . . . 0.516 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 28.0 t-80 -57.99 -49.96 75.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.23999999999999999 111.305 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -67.91 -31.72 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.095 0.474 . . . . 2.8999999999999999 110.824 -176.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' THR . . . . . 0.439 ' HB ' ' CG ' ' A' ' 550' ' ' ASP . 80.5 m -66.67 -49.0 67.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.565 -0.743 . . . . 0.34999999999999998 111.027 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 554' ' ' MET . . . . . 0.578 ' SD ' HD21 ' A' ' 504' ' ' LEU . 25.5 mmt -63.51 -42.12 98.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.859 -0.609 . . . . 0.14000000000000001 110.436 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.87 -35.94 73.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.373 -0.831 . . . . 0.17000000000000001 110.699 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -69.53 -39.94 77.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.103 -0.499 . . . . 1.8300000000000001 110.452 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' ALA . . . . . 0.51 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -59.46 -47.16 86.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.303 0.573 . . . . 0.17999999999999999 110.096 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 558' ' ' ILE . . . . . 0.429 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 81.3 mt -59.83 -53.57 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 114.976 -1.011 . . . . 0.17999999999999999 110.702 176.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.0 -37.05 85.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 2.2000000000000002 111.499 -177.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.58 -48.57 80.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.071 0.462 . . . . 1.03 109.939 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 561' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 561' ' ' ARG . 8.3 tpt180 -66.89 -46.48 74.78 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.576 -0.738 . . . . 1.5700000000000001 110.463 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 558' ' ' ILE . 57.6 t -58.15 -38.61 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.429 -0.35 . . . . 0.23999999999999999 110.973 178.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 7.6 t -63.94 -43.54 95.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.232 -0.44 . . . . 0.83999999999999997 110.269 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.56 -40.4 92.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.326 0.584 . . . . 1.7 110.359 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 565' ' ' ILE . . . . . 0.448 ' O ' ' HG3' ' A' ' 569' ' ' ARG . 73.0 mt -58.07 -52.55 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.224 -0.898 . . . . 0.57999999999999996 111.097 176.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 566' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 96.2 mttt -69.14 -28.61 66.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.024 -0.534 . . . . 0.88 111.319 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -61.89 -43.43 98.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.384 . . . . 3.0 110.544 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -66.15 -30.31 70.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.405 0.621 . . . . 3.4700000000000002 110.345 176.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 569' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 565' ' ' ILE . 93.4 mtt180 -81.94 2.65 29.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.403 -0.817 . . . . 3.0499999999999998 111.964 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 570' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 23.5 mm-40 -88.17 10.73 18.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.75 0.785 . . . . 2.1600000000000001 109.114 172.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -135.8 54.03 1.93 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.475 -1.239 . . . . 5.2800000000000002 108.787 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 572' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 569' ' ' ARG . 74.8 mtt180 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.551 -0.749 . . . . 8.0299999999999994 110.139 -178.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.483 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.24 0 N-CA-C 112.834 -0.106 . . . . 0.57999999999999996 112.834 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.536 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.5 OUTLIER -150.57 154.08 9.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 122.832 0.453 . . . . 0.35999999999999999 110.26 178.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -159.01 135.19 9.03 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.542 -0.754 . . . . 2.96 109.804 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 63.6 t -112.31 131.02 64.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.3 0.571 . . . . 0.23000000000000001 111.004 -177.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.439 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 79.2 mm-40 -122.18 163.33 19.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.121 -0.945 . . . . 2.0099999999999998 110.059 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.581 HD23 HD23 ' A' ' 502' ' ' LEU . 81.1 mt -83.51 140.56 32.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.734 -0.666 . . . . 0.37 110.158 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -75.57 -17.96 59.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.715 0.769 . . . . 0.42999999999999999 109.923 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -163.95 1.43 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.603 -1.181 . . . . 2.02 108.976 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -115.22 92.84 4.06 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.652 -0.419 . . . . 2.3599999999999999 110.805 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . 0.5 ' H ' HD13 ' A' ' 489' ' ' LEU . 24.4 t70 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.763 -0.653 . . . . 1.3700000000000001 111.31 -179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 31.4 mm . . . . . 0 N--CA 1.449 -0.523 0 CA-C-O 121.374 0.607 . . . . 0.68000000000000005 109.769 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -115.47 123.86 49.65 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.646 -0.706 . . . . 0.45000000000000001 110.725 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.0 pt -117.56 -177.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.41 -0.813 . . . . 0.31 110.383 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 24.3 ttmm -130.84 117.66 19.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.026 0.441 . . . . 1.8100000000000001 110.102 176.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.581 HD23 HD23 ' A' ' 489' ' ' LEU . 40.3 mt -113.08 156.46 23.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.641 -0.709 . . . . 0.59999999999999998 110.769 -175.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.627 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.0 m95 -119.92 119.3 33.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.851 -0.426 . . . . 0.34000000000000002 109.851 169.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.514 HD21 ' SD ' ' A' ' 554' ' ' MET . 45.5 tp -76.18 100.18 4.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.005 -0.543 . . . . 0.28999999999999998 109.753 175.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -88.36 125.67 34.82 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.705 -0.68 . . . . 3.3300000000000001 110.341 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.644 HG21 HG22 ' A' ' 509' ' ' ILE . 26.2 mm -86.12 113.47 24.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.329 -0.396 . . . . 0.51000000000000001 110.01 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.483 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.8 mt-10 -79.05 -46.09 18.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.134 -0.485 . . . . 1.52 111.79 -176.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -144.31 105.97 4.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.936 0.398 . . . . 0.70999999999999996 110.224 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.644 HG22 HG21 ' A' ' 506' ' ' ILE . 2.4 pp -75.19 -11.41 14.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.067 -0.515 . . . . 0.70999999999999996 112.006 -176.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -79.58 -20.11 47.74 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.251 0.548 . . . . 3.1499999999999999 110.293 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 511' ' ' LYS . 13.5 mmmm -78.91 -14.16 59.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.741 -0.663 . . . . 3.1899999999999999 110.459 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 33.4 mt -99.52 173.18 6.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.514 -0.766 . . . . 0.57999999999999996 110.509 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -131.58 64.48 1.59 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.272 0.558 . . . . 3.2999999999999998 110.488 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -169.25 -154.79 9.34 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.675 -0.774 . . . . 0.95999999999999996 112.133 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 515' ' ' LYS . 3.8 mppt? -102.77 102.52 12.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.938 -0.393 . . . . 3.5299999999999998 109.938 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -132.6 176.39 8.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.019 -0.537 . . . . 0.72999999999999998 110.0 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -135.98 139.12 42.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.747 -0.464 . . . . 1.98 109.747 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.28 37.02 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.925 0.869 . . . . 2.29 110.582 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -163.95 36.01 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.101 -0.954 . . . . 2.5600000000000001 110.04 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -128.15 151.73 48.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.754 -0.657 . . . . 1.52 110.938 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -146.31 130.08 17.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.475 -0.784 . . . . 0.42999999999999999 109.518 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.648 HD13 ' HB3' ' A' ' 545' ' ' TYR . 78.1 mt -101.78 105.63 18.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.548 -0.751 . . . . 0.39000000000000001 110.987 -175.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.627 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 13.1 tt0 -71.4 130.01 40.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.953 -0.567 . . . . 0.59999999999999998 110.489 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -148.12 140.19 24.09 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.672 -0.492 . . . . 0.23999999999999999 109.672 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 36.1 m -87.52 140.91 29.05 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.684 -0.487 . . . . 1.24 109.684 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -127.85 114.7 17.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 120.617 -0.433 . . . . 0.27000000000000002 110.692 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -81.8 112.16 18.69 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.495 -0.928 . . . . 0.57999999999999996 108.495 171.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.84 -13.77 60.18 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.503 0.557 . . . . 0.51000000000000001 112.503 -172.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -108.45 -42.68 4.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.68 0.276 . . . . 2.1800000000000002 111.209 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -90.66 -38.74 12.9 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.569 0.581 . . . . 4.0999999999999996 112.569 -173.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.74 147.06 27.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.2 0.524 . . . . 0.60999999999999999 111.365 -176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 75.1 t -119.65 133.79 23.85 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.506 -0.77 . . . . 0.28000000000000003 110.36 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.09 -51.22 11.66 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.511 2.141 . . . . 0.23999999999999999 112.839 -175.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -69.7 -25.26 63.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 2.3399999999999999 111.694 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 14.8 t70 -67.19 -48.58 67.48 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.268 -0.641 . . . . 1.0900000000000001 109.268 175.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.57 -39.75 82.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.142 -0.935 . . . . 0.28000000000000003 111.084 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.11 -26.57 66.76 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.921 -0.312 . . . . 0.17000000000000001 111.309 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -68.33 -43.38 77.67 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.586 -0.524 . . . . 1.0800000000000001 109.586 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 3.2 mm-40 -58.77 -42.81 89.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.458 -0.792 . . . . 2.0699999999999998 109.026 176.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.455 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.0 mtt -54.89 -43.44 73.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.232 -0.894 . . . . 0.25 111.173 177.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 63.5 t -66.68 -50.21 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.987 -0.551 . . . . 0.23999999999999999 110.95 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.2 -38.33 81.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.265 -0.425 . . . . 0.77000000000000002 111.809 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.7 m -76.19 -1.82 28.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.666 0.269 . . . . 1.22 111.719 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 84.73 30.19 27.31 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.735 -0.745 . . . . 0.54000000000000004 113.555 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.648 ' HB3' HD13 ' A' ' 522' ' ' ILE . 72.6 m-85 -103.54 -42.89 5.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.072 0.463 . . . . 0.56000000000000005 110.546 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 86.8 t -121.96 151.91 25.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.715 -0.675 . . . . 0.17000000000000001 110.41 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 43.0 t -87.88 140.33 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.954 -0.758 . . . . 0.42999999999999999 108.954 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . 0.484 ' HB2' HG11 ' A' ' 541' ' ' VAL . 10.2 tp10 -59.38 -21.17 59.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.911 -0.586 . . . . 2.7200000000000002 111.281 -175.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -70.85 -18.14 75.84 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.96 -0.638 . . . . 0.32000000000000001 112.682 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 554' ' ' MET . 51.3 m-20 -112.65 16.15 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.846 0.323 . . . . 1.23 111.158 -178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -53.96 -51.15 64.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.26 -0.427 . . . . 0.23999999999999999 111.523 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -63.62 -40.95 98.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.528 -0.305 . . . . 2.8999999999999999 110.244 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 44.9 m -58.03 -48.37 80.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.723 -0.672 . . . . 0.34999999999999998 111.106 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.591 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.3 mmt -67.28 -47.15 71.5 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.017 -0.538 . . . . 0.14000000000000001 110.881 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.61 78.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.17000000000000001 110.903 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -66.6 -36.51 82.79 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.945 -0.57 . . . . 1.8300000000000001 110.135 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.536 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -62.64 -46.42 88.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.209 0.528 . . . . 0.17999999999999999 109.987 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 554' ' ' MET . 54.6 mt -61.43 -51.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.114 -0.948 . . . . 0.17999999999999999 110.362 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -65.15 -35.43 81.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.647 -0.706 . . . . 2.2000000000000002 110.593 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.72 -43.6 94.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 1.03 110.567 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.4 tpt180 -72.03 -48.98 40.58 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.209 -0.451 . . . . 1.5700000000000001 110.684 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 558' ' ' ILE . 95.2 t -57.71 -34.23 47.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.226 -0.443 . . . . 0.23999999999999999 110.59 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 14.5 t -61.87 -49.94 74.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.005 -0.543 . . . . 0.83999999999999997 110.685 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -70.26 -36.35 74.39 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 120.879 0.371 . . . . 1.7 110.351 -177.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.11 -55.32 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.57999999999999996 111.023 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.847 -0.615 . . . . 0.88 110.845 179.15 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.419 ' C ' ' HB3' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.518 0.258 0 N-CA-C 113.426 0.13 . . . . 0.57999999999999996 113.426 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -153.91 170.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 122.653 0.381 . . . . 0.35999999999999999 110.789 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -161.65 134.8 6.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.978 -0.556 . . . . 2.96 110.032 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 85.2 t -104.72 133.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.042 0.449 . . . . 0.23000000000000001 110.572 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.636 ' HG3' ' NH2' ' A' ' 505' ' ' ARG . 67.9 mm-40 -122.19 160.97 24.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.452 -0.794 . . . . 2.0099999999999998 110.174 -177.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.537 HD23 HD23 ' A' ' 502' ' ' LEU . 57.0 mt -80.65 145.03 31.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.141 -0.481 . . . . 0.37 109.894 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -79.69 -30.46 41.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.701 0.762 . . . . 0.42999999999999999 109.222 173.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.72 -164.72 1.39 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.754 -1.112 . . . . 2.02 110.066 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -94.01 136.23 34.52 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 116.023 -0.535 . . . . 2.3599999999999999 109.631 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 37.6 t70 . . . . . 0 C--N 1.321 -0.672 0 N-CA-C 112.378 0.51 . . . . 1.3700000000000001 112.378 -177.876 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 28.0 mm . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.09 0.471 . . . . 0.68000000000000005 110.732 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -120.56 122.9 41.58 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.354 0.597 . . . . 0.45000000000000001 111.059 -176.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 14.0 pt -120.99 -177.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.122 -0.945 . . . . 0.31 110.498 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 36.2 ttpt -127.5 120.08 27.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.155 0.502 . . . . 1.8100000000000001 110.195 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.537 HD23 HD23 ' A' ' 489' ' ' LEU . 45.9 mt -112.77 157.38 21.4 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.516 -0.766 . . . . 0.59999999999999998 110.958 -175.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.67 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.5 m95 -119.61 116.56 26.27 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 0.34000000000000002 109.734 169.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.483 ' HB3' ' HB ' ' A' ' 522' ' ' ILE . 51.6 tp -75.23 95.37 3.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.443 -0.577 . . . . 0.28999999999999998 109.443 174.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.636 ' NH2' ' HG3' ' A' ' 488' ' ' GLU . 6.5 ttm180 -87.38 120.15 28.38 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.893 -0.594 . . . . 3.3300000000000001 110.019 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.601 ' HA ' HG12 ' A' ' 485' ' ' VAL . 30.5 mm -77.1 109.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.81 -0.632 . . . . 0.51000000000000001 110.026 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.531 ' H ' ' HA ' ' A' ' 485' ' ' VAL . 6.7 tp10 -75.6 -55.33 5.77 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.194 -0.912 . . . . 1.52 110.6 -175.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.45 106.61 8.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.007 0.432 . . . . 0.70999999999999996 110.823 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.482 HG22 HG21 ' A' ' 506' ' ' ILE . 2.4 pp -75.26 -15.15 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.594 0.591 . . . . 0.70999999999999996 112.594 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.28 -11.55 56.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.269 0.557 . . . . 3.1499999999999999 110.345 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -81.32 -18.62 45.11 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 121.861 0.838 . . . . 3.1899999999999999 109.03 174.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 15.0 mt -102.98 173.44 6.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.036 -0.984 . . . . 0.57999999999999996 110.444 -175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -138.39 75.25 1.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.236 0.541 . . . . 3.2999999999999998 109.958 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -168.24 -154.04 8.55 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.6 -0.727 . . . . 0.95999999999999996 111.734 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -100.35 94.36 6.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.755 0.312 . . . . 3.5299999999999998 110.465 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -133.37 174.28 10.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.444 . . . . 0.72999999999999998 109.959 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 519' ' ' ASN . 57.0 mtmt -140.64 156.26 46.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.244 -0.28 . . . . 1.98 110.244 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -79.73 36.58 0.33 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 122.226 1.012 . . . . 2.29 110.66 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 517' ' ' LYS . 23.4 t-20 -171.18 46.42 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.519 -1.219 . . . . 2.5600000000000001 107.76 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -120.03 122.72 41.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.029 -0.987 . . . . 1.52 110.204 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -134.1 123.76 24.99 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 115.911 -0.586 . . . . 0.42999999999999999 109.764 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.547 HD13 ' HB3' ' A' ' 545' ' ' TYR . 73.7 mt -101.63 104.17 15.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 115.373 -0.83 . . . . 0.39000000000000001 110.642 -176.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.67 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.2 tt0 -71.93 128.91 37.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.719 -0.673 . . . . 0.59999999999999998 110.201 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -151.79 140.81 21.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.274 -0.421 . . . . 0.23999999999999999 109.949 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 53.7 m -85.33 144.12 28.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.09 -0.337 . . . . 1.24 110.09 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -131.43 122.39 26.18 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.401 -0.519 . . . . 0.27000000000000002 110.806 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.09 113.12 24.24 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.709 -0.848 . . . . 0.57999999999999996 108.709 172.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.97 -4.6 13.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.608 0.596 . . . . 0.51000000000000001 112.608 -172.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -111.05 -49.92 2.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.011 0.434 . . . . 2.1800000000000002 110.59 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -82.42 -44.66 15.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.794 -0.639 . . . . 4.0999999999999996 112.485 -173.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.1 142.94 43.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.304 0.573 . . . . 0.60999999999999999 111.833 -173.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 536' ' ' VAL . 97.8 t -118.11 125.12 28.15 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.949 . . . . 0.28000000000000003 108.961 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.71 -38.12 84.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 123.424 2.75 . . . . 0.23999999999999999 114.015 -173.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.83 -40.99 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.644 -0.422 . . . . 2.3399999999999999 110.695 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 18.6 t70 -59.53 -42.01 91.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.235 0.54 . . . . 1.0900000000000001 110.242 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 532' ' ' VAL . 41.9 t -66.64 -41.37 88.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.203 -0.908 . . . . 0.28000000000000003 110.996 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.39 -25.76 67.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.378 -0.374 . . . . 0.17000000000000001 110.547 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.7 mm100 -66.17 -42.75 88.51 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.984 -0.376 . . . . 1.0800000000000001 109.984 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -59.11 -41.87 89.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.16 -0.682 . . . . 2.0699999999999998 109.16 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.425 ' HB3' HG23 ' A' ' 546' ' ' VAL . 59.6 mtt -57.7 -43.42 85.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.918 -1.037 . . . . 0.25 110.968 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 537' ' ' ALA . 67.2 t -67.41 -50.75 59.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.558 . . . . 0.23999999999999999 110.724 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -60.03 -42.79 95.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 0.77000000000000002 111.565 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.4 t -71.96 -12.74 61.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.439 -0.346 . . . . 1.22 111.229 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.12 8.44 56.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.54000000000000004 113.489 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.547 ' HB3' HD13 ' A' ' 522' ' ' ILE . 69.8 m-85 -81.41 -48.32 12.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.284 0.564 . . . . 0.56000000000000005 110.526 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 68.9 t -112.23 147.05 16.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.666 -0.697 . . . . 0.17000000000000001 110.604 -176.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 50.3 t -84.34 138.41 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.002 -0.74 . . . . 0.42999999999999999 109.002 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . 0.417 ' HB2' HG11 ' A' ' 541' ' ' VAL . 9.3 tp10 -58.82 -24.66 62.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.905 -0.589 . . . . 2.7200000000000002 111.308 -174.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -69.22 -24.02 76.09 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.949 -0.643 . . . . 0.32000000000000001 112.58 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -106.59 17.64 23.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 1.23 110.609 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -55.13 -53.97 49.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.23999999999999999 111.765 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -70.26 -28.36 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.081 -0.248 . . . . 2.8999999999999999 110.651 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 59.9 m -63.17 -45.21 92.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.097 0.475 . . . . 0.34999999999999998 110.383 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.526 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.3 mmt -71.04 -43.03 68.7 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.14000000000000001 110.819 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.57 73.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.788 -0.642 . . . . 0.17000000000000001 110.761 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.49 -39.42 85.2 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.156 -0.475 . . . . 1.8300000000000001 109.964 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.5 -46.01 91.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.237 0.542 . . . . 0.17999999999999999 109.996 175.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 554' ' ' MET . 60.6 mt -61.91 -51.61 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.193 -0.912 . . . . 0.17999999999999999 110.418 178.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -65.92 -33.24 75.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.855 -0.612 . . . . 2.2000000000000002 110.824 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.5 -47.75 84.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.005 0.431 . . . . 1.03 110.034 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.673 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.2 tpt180 -67.22 -48.84 66.64 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.95 -0.568 . . . . 1.5700000000000001 110.594 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 558' ' ' ILE . 99.4 t -59.21 -33.46 50.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.274 -0.421 . . . . 0.23999999999999999 110.693 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 17.2 t -64.41 -49.1 72.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.206 -0.452 . . . . 0.83999999999999997 110.63 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -69.21 -36.4 77.21 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.877 0.37 . . . . 1.7 110.35 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 61.8 mt -55.69 -53.96 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.459 -0.791 . . . . 0.57999999999999996 110.805 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 62.7 mttm . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 115.734 -0.666 . . . . 0.88 110.986 179.165 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.481 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.517 0.209 0 N-CA-C 112.21 -0.356 . . . . 0.57999999999999996 112.21 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.53 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -155.14 158.81 3.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 123.931 0.892 . . . . 0.35999999999999999 108.977 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -160.63 133.34 6.34 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.133 0.492 . . . . 2.96 110.397 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.455 HG12 HD22 ' A' ' 502' ' ' LEU . 42.9 t -108.99 130.07 62.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.969 -0.56 . . . . 0.23000000000000001 110.97 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -125.6 157.66 36.6 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.964 -1.016 . . . . 2.0099999999999998 109.845 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.626 HD23 HD23 ' A' ' 502' ' ' LEU . 77.7 mt -79.12 133.78 36.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.874 -0.603 . . . . 0.37 110.149 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -70.42 -28.42 65.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.871 0.843 . . . . 0.42999999999999999 108.842 171.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -114.9 -157.01 0.62 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.165 -1.379 . . . . 2.02 109.113 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -117.23 157.49 25.94 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.198 -1.038 . . . . 2.3599999999999999 108.198 167.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--N 1.318 -0.772 0 C-N-CA 120.358 -0.537 . . . . 1.3700000000000001 112.154 -174.519 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 529' ' ' GLU . 6.2 mm . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 121.374 0.607 . . . . 0.68000000000000005 109.563 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -102.34 127.01 49.53 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.529 -0.759 . . . . 0.45000000000000001 110.458 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.443 ' CD1' HD13 ' A' ' 565' ' ' ILE . 15.9 pt -119.88 173.17 6.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.845 -0.616 . . . . 0.31 110.756 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 490' ' ' ALA . 16.4 tptm -115.66 113.44 23.53 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.824 -0.435 . . . . 1.8100000000000001 109.824 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.626 HD23 HD23 ' A' ' 489' ' ' LEU . 40.2 mt -114.08 156.72 23.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.59999999999999998 111.043 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.745 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 34.6 m95 -122.51 123.15 40.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.976 -0.379 . . . . 0.34000000000000002 109.976 169.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 55.2 tp -81.13 95.48 6.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.921 -0.582 . . . . 0.28999999999999998 110.237 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.422 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 96.3 mtt180 -80.24 120.16 23.96 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.058 -0.519 . . . . 3.3300000000000001 110.005 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.455 HG21 HG22 ' A' ' 509' ' ' ILE . 27.9 mm -82.6 107.6 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.69 -0.485 . . . . 0.51000000000000001 109.69 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.481 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 7.4 mm-40 -80.33 -48.28 13.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.963 -0.562 . . . . 1.52 111.77 -173.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -131.36 100.36 5.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.135 0.493 . . . . 0.70999999999999996 110.506 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.455 HG22 HG21 ' A' ' 506' ' ' ILE . 2.4 pp -76.05 -16.97 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.678 -0.692 . . . . 0.70999999999999996 112.377 -176.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -74.39 -32.11 62.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.07 0.462 . . . . 3.1499999999999999 110.338 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -68.99 -16.58 63.76 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.586 -0.734 . . . . 3.1899999999999999 111.034 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.13 171.29 7.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.769 -0.65 . . . . 0.57999999999999996 110.006 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -134.94 72.15 1.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.595 0.712 . . . . 3.2999999999999998 110.09 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -156.82 -135.84 2.01 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.493 -0.776 . . . . 0.95999999999999996 111.891 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -126.57 93.73 3.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.318 0.58 . . . . 3.5299999999999998 109.989 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -137.5 157.16 47.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.33 -0.85 . . . . 0.72999999999999998 109.632 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 27.9 mtpp -112.06 151.23 29.62 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.411 -0.218 . . . . 1.98 110.411 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.32 36.27 0.36 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.268 0.556 . . . . 2.29 112.282 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -177.42 40.09 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.16 -1.052 . . . . 2.5600000000000001 108.16 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . 0.413 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 29.1 tt0 -115.31 138.61 50.78 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.877 -1.056 . . . . 1.52 110.438 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -133.03 135.45 45.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.294 0.568 . . . . 0.42999999999999999 110.713 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.693 HD13 ' HB3' ' A' ' 545' ' ' TYR . 81.2 mt -103.57 106.77 20.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.103 -0.953 . . . . 0.39000000000000001 110.755 -177.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.745 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 24.6 tt0 -71.39 130.08 40.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.988 -0.551 . . . . 0.59999999999999998 110.984 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -149.42 144.29 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 0.23999999999999999 109.831 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 47.2 t -83.27 144.53 29.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.931 -0.766 . . . . 1.24 108.931 174.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 36.5 t80 -129.36 113.78 15.38 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.261 -0.575 . . . . 0.27000000000000002 110.288 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.1 t70 -79.86 99.91 7.76 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.115 -1.069 . . . . 0.57999999999999996 108.115 172.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.409 HD22 HG13 ' A' ' 562' ' ' VAL . 86.7 mt -54.96 -27.59 44.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.043 -0.526 . . . . 0.51000000000000001 112.16 -172.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.439 ' HB2' HD12 ' A' ' 498' ' ' ILE . 9.4 tp10 -93.03 -45.74 7.78 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 116.225 -0.443 . . . . 2.1800000000000002 111.814 -176.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.74 -44.52 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.49 0.552 . . . . 4.0999999999999996 112.49 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -76.4 158.66 31.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.63 0.729 . . . . 0.60999999999999999 112.579 -170.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 96.5 t -127.81 131.9 24.05 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 114.628 -1.169 . . . . 0.28000000000000003 109.246 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.417 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 50.7 Cg_exo -57.47 -38.99 92.41 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.482 2.788 . . . . 0.23999999999999999 112.782 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -68.31 -30.6 69.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.357 -0.383 . . . . 2.3399999999999999 110.732 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 12.9 t70 -73.82 -45.14 53.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.191 0.52 . . . . 1.0900000000000001 110.138 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 80.4 t -61.96 -38.7 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.532 -0.758 . . . . 0.28000000000000003 110.888 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.62 -21.7 65.38 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.976 -0.289 . . . . 0.17000000000000001 110.79 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.443 HE21 ' HA ' ' A' ' 538' ' ' GLN . 0.0 OUTLIER -74.41 -41.15 61.39 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.845 -0.428 . . . . 1.0800000000000001 109.845 173.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.87 -41.94 88.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.515 -0.766 . . . . 2.0699999999999998 109.231 173.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 58.1 mtt -56.25 -40.62 74.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.156 -0.929 . . . . 0.25 111.299 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.656 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 58.2 t -67.93 -48.08 76.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.23999999999999999 110.722 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.38 -33.97 75.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.115 -0.493 . . . . 0.77000000000000002 111.241 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 22.9 t -76.97 -13.23 59.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.074 -0.512 . . . . 1.22 111.043 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 89.07 27.77 22.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.54000000000000004 112.984 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.693 ' HB3' HD13 ' A' ' 522' ' ' ILE . 39.3 m-85 -102.79 -38.0 7.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.768 0.318 . . . . 0.56000000000000005 110.953 177.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 92.3 t -125.46 145.36 32.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.145 -0.48 . . . . 0.17000000000000001 110.674 -176.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 44.1 t -83.98 140.07 32.14 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.083 -0.71 . . . . 0.42999999999999999 109.083 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . 0.506 ' HB2' HG11 ' A' ' 541' ' ' VAL . 44.7 tt0 -61.79 -22.59 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.865 -0.607 . . . . 2.7200000000000002 111.69 -174.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -74.88 -13.2 82.65 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.817 -0.706 . . . . 0.32000000000000001 112.65 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 554' ' ' MET . 28.0 m-20 -117.2 20.13 13.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.455 0.645 . . . . 1.23 110.193 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -59.95 -43.4 95.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.098 -0.955 . . . . 0.23999999999999999 111.004 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.98 -41.37 99.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 2.8999999999999999 110.692 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 24.8 m -59.17 -46.29 88.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.901 -0.591 . . . . 0.34999999999999998 111.047 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.608 ' O ' HG13 ' A' ' 558' ' ' ILE . 21.5 mmt -70.9 -45.96 63.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.849 -0.614 . . . . 0.14000000000000001 110.956 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.5 76.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.17000000000000001 110.745 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -64.9 -43.71 91.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.007 -0.542 . . . . 1.8300000000000001 110.059 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.53 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.72 -45.91 88.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.09 0.471 . . . . 0.17999999999999999 110.267 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 554' ' ' MET . 57.6 mt -61.56 -51.83 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.267 -0.879 . . . . 0.17999999999999999 110.276 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -63.4 -37.2 86.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 2.2000000000000002 110.855 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.12 -41.69 94.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 1.03 111.113 -175.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.428 ' NH2' ' HG ' ' A' ' 489' ' ' LEU . 8.4 tpt180 -69.74 -43.98 71.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.787 -0.365 . . . . 1.5700000000000001 110.143 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 558' ' ' ILE . 79.2 t -60.7 -36.3 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.989 -0.55 . . . . 0.23999999999999999 110.508 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 23.5 t -58.65 -46.82 86.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.238 -0.437 . . . . 0.83999999999999997 110.147 176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.24 -44.27 92.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.168 0.508 . . . . 1.7 110.462 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.443 HD13 ' CD1' ' A' ' 500' ' ' ILE . 87.7 mt -59.39 -48.89 85.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.267 -0.879 . . . . 0.57999999999999996 111.651 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 115.82 -0.627 . . . . 0.88 111.418 -179.244 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.519 0.323 0 N-CA-C 113.684 0.234 . . . . 0.57999999999999996 113.684 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.576 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -151.76 154.69 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 123.099 0.56 . . . . 0.35999999999999999 110.371 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 486' ' ' ARG . 26.4 tpt180 -155.5 154.86 32.46 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.845 -0.616 . . . . 2.96 109.358 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 59.3 t -126.83 134.69 65.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.749 0.309 . . . . 0.23000000000000001 110.472 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -130.04 159.24 37.32 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.707 -0.679 . . . . 2.0099999999999998 110.71 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.533 HD23 HD23 ' A' ' 502' ' ' LEU . 71.6 mt -80.62 134.77 35.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.37 110.662 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.51 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -83.68 -18.64 37.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.606 . . . . 0.42999999999999999 110.0 174.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.8 168.26 18.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.165 -0.925 . . . . 2.02 109.747 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -81.1 96.66 7.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.15 -0.477 . . . . 2.3599999999999999 110.343 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . 0.405 ' HB3' HD13 ' A' ' 489' ' ' LEU . 24.2 t70 . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 121.48 0.657 . . . . 1.3700000000000001 110.849 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 23.1 mm . . . . . 0 N--CA 1.448 -0.546 0 CA-C-O 121.342 0.592 . . . . 0.68000000000000005 109.461 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -126.54 123.46 37.78 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.504 -0.771 . . . . 0.45000000000000001 110.531 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.43 ' CD1' HD13 ' A' ' 565' ' ' ILE . 10.8 pt -122.28 179.92 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.536 -0.756 . . . . 0.31 110.897 -174.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 41.1 ttmt -124.75 121.14 33.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.87 -0.605 . . . . 1.8100000000000001 109.393 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.533 HD23 HD23 ' A' ' 489' ' ' LEU . 29.7 mt -117.41 162.24 18.27 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.865 -0.607 . . . . 0.59999999999999998 110.623 -176.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.611 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.3 m95 -123.15 124.58 43.38 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.562 -0.533 . . . . 0.34000000000000002 109.562 168.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.641 HD21 ' SD ' ' A' ' 554' ' ' MET . 57.2 tp -78.26 96.86 5.36 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.133 -0.691 . . . . 0.28999999999999998 109.133 173.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.516 ' HG3' ' HB2' ' A' ' 521' ' ' ALA . 6.9 ttt180 -91.4 119.15 31.16 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.391 -0.822 . . . . 3.3300000000000001 109.933 -177.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.601 HG21 HG22 ' A' ' 509' ' ' ILE . 26.4 mm -75.16 115.86 17.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 116.238 -0.437 . . . . 0.51000000000000001 109.852 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.479 ' HG3' ' C ' ' A' ' 485' ' ' VAL . 5.8 mt-10 -75.81 -39.65 56.44 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.347 -0.388 . . . . 1.52 110.833 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 510' ' ' LYS . 11.5 t70 -151.45 112.78 4.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.284 -0.416 . . . . 0.70999999999999996 110.421 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.601 HG22 HG21 ' A' ' 506' ' ' ILE . 2.5 pp -76.31 -14.74 15.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.945 -0.571 . . . . 0.70999999999999996 112.441 -176.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . 0.422 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 34.9 mmtp -75.41 -35.26 61.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 3.1499999999999999 110.506 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -66.8 -21.58 66.04 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.747 -0.66 . . . . 3.1899999999999999 111.619 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.424 HD11 HG23 ' A' ' 506' ' ' ILE . 45.4 mt -91.18 178.48 5.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.371 -0.377 . . . . 0.57999999999999996 110.327 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -135.71 74.44 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.399 0.619 . . . . 3.2999999999999998 110.347 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -171.91 -164.04 26.83 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.653 -0.703 . . . . 0.95999999999999996 111.416 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -97.11 89.23 4.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.094 0.473 . . . . 3.5299999999999998 110.596 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -123.91 146.11 48.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.586 -0.734 . . . . 0.72999999999999998 109.262 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' A' ' 519' ' ' ASN . 36.2 mtmm -107.04 148.2 29.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.655 0.264 . . . . 1.98 110.612 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -79.46 37.19 0.33 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.25 1.024 . . . . 2.29 110.652 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 517' ' ' LYS . 4.4 p-10 -164.13 24.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.709 -1.132 . . . . 2.5600000000000001 108.896 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.45 135.12 54.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.393 -0.821 . . . . 1.52 111.214 -171.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.516 ' HB2' ' HG3' ' A' ' 505' ' ' ARG . . . -136.45 138.63 41.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.13 -0.941 . . . . 0.42999999999999999 109.395 177.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 67.6 mt -102.69 101.87 12.78 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 115.549 -0.75 . . . . 0.39000000000000001 110.869 -175.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.611 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 24.9 tt0 -68.3 127.3 32.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.37 -0.832 . . . . 0.59999999999999998 110.375 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -149.13 141.24 23.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.365 -0.38 . . . . 0.23999999999999999 110.252 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 15.6 m -86.66 146.6 26.24 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.774 -0.454 . . . . 1.24 109.774 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -136.38 120.45 17.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.104 -0.638 . . . . 0.27000000000000002 111.079 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -88.35 116.1 26.33 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.694 -0.854 . . . . 0.57999999999999996 108.694 171.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.24 -6.71 30.89 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.134 -0.485 . . . . 0.51000000000000001 112.077 -172.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -112.65 -45.99 3.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.764 0.316 . . . . 2.1800000000000002 110.813 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 530' ' ' ARG . 53.1 mtp180 -82.38 -50.17 9.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.302 -0.408 . . . . 4.0999999999999996 111.984 -177.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.71 153.81 42.45 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.634 0.731 . . . . 0.60999999999999999 112.613 -171.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 77.5 t -126.87 127.6 24.39 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 114.53 -1.214 . . . . 0.28000000000000003 109.163 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 48.0 Cg_exo -57.51 -40.2 82.66 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.221 2.614 . . . . 0.23999999999999999 112.779 -175.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.65 -37.3 82.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.968 0.413 . . . . 2.3399999999999999 110.868 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.585 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 7.7 m-20 -70.39 -42.24 71.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.967 -0.56 . . . . 1.0900000000000001 110.761 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 532' ' ' VAL . 98.3 t -62.27 -38.49 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.28000000000000003 110.822 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.9 -20.31 65.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.401 -0.363 . . . . 0.17000000000000001 111.162 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -76.03 -39.1 56.36 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.938 -0.393 . . . . 1.0800000000000001 109.938 174.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -58.46 -41.49 85.3 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.835 -0.802 . . . . 2.0699999999999998 108.835 173.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 56.8 mtt -55.54 -43.13 75.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.594 -1.184 . . . . 0.25 111.451 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 537' ' ' ALA . 46.6 t -70.32 -43.86 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.23999999999999999 110.884 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.84 -31.34 72.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.445 -0.343 . . . . 0.77000000000000002 111.283 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.7 t -85.63 -3.12 58.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.225 -0.443 . . . . 1.22 111.083 -177.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 83.63 18.67 63.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.633 -0.794 . . . . 0.54000000000000004 113.293 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.557 ' HB3' HD13 ' A' ' 522' ' ' ILE . 54.5 m-85 -89.84 -42.53 11.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.115 0.483 . . . . 0.56000000000000005 110.44 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.553 HG11 ' HG3' ' A' ' 554' ' ' MET . 98.0 t -121.08 146.53 25.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.893 -0.594 . . . . 0.17000000000000001 110.631 -176.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 52.7 t -84.84 138.76 32.37 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.443 -0.947 . . . . 0.42999999999999999 108.443 172.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . 0.488 ' HB2' HG11 ' A' ' 541' ' ' VAL . 33.2 tt0 -58.0 -20.93 42.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.612 -0.722 . . . . 2.7200000000000002 112.165 -171.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -76.54 -20.75 76.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.897 -0.668 . . . . 0.32000000000000001 112.856 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 554' ' ' MET . 50.7 m-20 -103.48 15.98 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.181 0.515 . . . . 1.23 109.959 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -57.75 -47.0 83.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.768 . . . . 0.23999999999999999 111.476 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.45 -39.7 94.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.87 0.367 . . . . 2.8999999999999999 110.272 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 58.9 m -60.7 -46.07 91.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.881 -0.6 . . . . 0.34999999999999998 111.105 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.641 ' SD ' HD21 ' A' ' 504' ' ' LEU . 23.1 mmt -67.09 -47.34 71.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.14000000000000001 110.814 -178.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.32 75.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 0.17000000000000001 110.942 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -66.51 -41.08 89.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.015 -0.539 . . . . 1.8300000000000001 110.162 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.576 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.2 -45.12 94.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.267 0.556 . . . . 0.17999999999999999 110.242 175.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 554' ' ' MET . 57.0 mt -61.58 -52.15 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 115.21 -0.904 . . . . 0.17999999999999999 109.932 177.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -60.68 -39.95 90.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.64 -0.709 . . . . 2.2000000000000002 111.112 -176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.72 -41.25 96.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 1.03 110.445 -177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.662 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.0 tpt180 -70.82 -46.06 63.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.223 -0.444 . . . . 1.5700000000000001 110.433 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 558' ' ' ILE . 90.8 t -60.46 -32.35 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 116.257 -0.429 . . . . 0.23999999999999999 110.351 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 40.7 t -58.59 -51.36 70.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.83999999999999997 110.867 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -71.13 -34.27 70.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.168 0.509 . . . . 1.7 110.694 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.43 HD13 ' CD1' ' A' ' 500' ' ' ILE . 85.5 mt -60.62 -48.22 89.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.66 -0.7 . . . . 0.57999999999999996 110.733 172.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.88 111.101 177.479 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.444 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.517 0.212 0 N-CA-C 113.703 0.241 . . . . 0.57999999999999996 113.703 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.598 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -153.0 157.89 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 123.056 0.543 . . . . 0.35999999999999999 109.896 177.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -157.23 133.96 10.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.752 -0.658 . . . . 2.96 110.029 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 77.4 t -112.19 135.48 51.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.934 -0.576 . . . . 0.23000000000000001 111.107 -176.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.456 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 42.7 mt-10 -132.78 163.07 29.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.389 -0.823 . . . . 2.0099999999999998 110.535 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.58 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 77.8 mt -81.42 135.6 35.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 0.37 110.746 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -77.77 -24.49 48.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.713 0.768 . . . . 0.42999999999999999 109.277 171.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 12.6 pt-20 -138.05 155.52 48.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.674 -1.148 . . . . 2.02 108.945 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.15 126.1 30.32 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.052 -0.522 . . . . 2.3599999999999999 110.502 -175.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--N 1.321 -0.673 0 CA-C-N 116.115 -0.493 . . . . 1.3700000000000001 110.717 179.708 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 N--CA 1.45 -0.451 0 CA-C-O 121.434 0.635 . . . . 0.68000000000000005 109.68 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -133.82 120.2 20.16 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.44 -0.8 . . . . 0.45000000000000001 110.67 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 12.6 pt -115.8 -178.61 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.328 -0.851 . . . . 0.31 110.648 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -127.32 118.63 24.54 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.992 -0.549 . . . . 1.8100000000000001 109.888 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 489' ' ' LEU . 30.1 mt -118.56 155.42 30.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.715 -0.675 . . . . 0.59999999999999998 110.555 -177.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.708 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 32.1 m95 -118.83 121.6 40.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.924 -0.398 . . . . 0.34000000000000002 109.924 171.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.638 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 60.3 tp -79.25 94.32 5.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.937 -0.574 . . . . 0.28999999999999998 110.167 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.535 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 87.1 mtt180 -87.49 119.08 27.42 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.501 -0.772 . . . . 3.3300000000000001 110.53 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.444 HG23 HD11 ' A' ' 512' ' ' LEU . 39.1 mm -74.3 120.55 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.736 -0.665 . . . . 0.51000000000000001 110.214 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.444 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 17.0 mm-40 -87.5 -43.86 11.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.112 -0.494 . . . . 1.52 111.535 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -149.5 107.2 3.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.968 0.413 . . . . 0.70999999999999996 110.662 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.507 HG22 ' HB2' ' A' ' 516' ' ' TYR . 29.9 pt -75.9 -10.59 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 112.862 0.69 . . . . 0.70999999999999996 112.862 -177.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -73.29 -25.02 60.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.263 0.554 . . . . 3.1499999999999999 109.796 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -76.69 -27.73 55.63 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.229 -0.896 . . . . 3.1899999999999999 109.977 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.444 HD11 HG23 ' A' ' 506' ' ' ILE . 48.3 mt -90.87 155.11 19.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.383 -0.826 . . . . 0.57999999999999996 111.099 -174.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -96.81 -34.87 11.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.49 -0.777 . . . . 3.2999999999999998 109.802 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -70.5 179.67 29.15 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.529 -0.76 . . . . 0.95999999999999996 112.602 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . 0.504 ' HD3' ' N ' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -101.03 115.45 30.52 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.225 -0.287 . . . . 3.5299999999999998 110.225 -177.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . 0.507 ' HB2' HG22 ' A' ' 509' ' ' ILE . 60.7 m-85 -139.57 162.57 34.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.019 0.437 . . . . 0.72999999999999998 110.821 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' A' ' 519' ' ' ASN . 27.1 mtpp -86.82 149.39 24.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.468 -0.787 . . . . 1.98 109.442 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.9 28.32 0.36 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.844 0.831 . . . . 2.29 110.77 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 517' ' ' LYS . 34.1 t-20 -167.49 41.08 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.348 -1.296 . . . . 2.5600000000000001 107.824 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 8.3 tp10 -91.6 148.26 22.41 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.92 -1.036 . . . . 1.52 109.607 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.638 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -148.77 113.64 5.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.548 0.689 . . . . 0.42999999999999999 110.498 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.545 HD13 ' HB3' ' A' ' 545' ' ' TYR . 98.3 mt -96.61 105.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.917 -1.038 . . . . 0.39000000000000001 110.41 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.708 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 14.3 tt0 -71.02 125.55 27.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.595 . . . . 0.59999999999999998 110.529 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . 0.431 ' CD2' HG11 ' A' ' 536' ' ' VAL . 39.4 p90 -142.61 148.39 37.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.269 -0.423 . . . . 0.23999999999999999 110.015 178.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 50.6 m -89.86 138.25 31.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.27 -0.641 . . . . 1.24 109.27 176.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . 0.454 ' CD2' HD23 ' A' ' 528' ' ' LEU . 32.2 t80 -122.6 110.82 16.02 Favored 'General case' 0 CA--C 1.508 -0.644 0 C-N-CA 120.34 -0.544 . . . . 0.27000000000000002 110.431 -176.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . 0.447 ' CG ' ' HB3' ' A' ' 530' ' ' ARG . 9.0 t70 -83.83 117.05 23.04 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.741 -0.837 . . . . 0.57999999999999996 108.741 172.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' ' 526' ' ' PHE . 68.2 mt -72.84 -8.47 55.7 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.875 -0.602 . . . . 0.51000000000000001 111.756 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -112.85 -45.31 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.219 -0.446 . . . . 2.1800000000000002 110.665 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . 0.447 ' HB3' ' CG ' ' A' ' 527' ' ' ASP . 15.2 ttt180 -82.83 -50.23 8.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 4.0999999999999996 111.858 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . 0.428 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 38.4 m-20 -85.34 143.06 28.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.348 0.594 . . . . 0.60999999999999999 111.468 -171.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.492 HG13 ' HD2' ' A' ' 533' ' ' PRO . 55.3 t -113.4 138.57 22.53 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.106 -0.952 . . . . 0.28000000000000003 109.328 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.57 ' HG2' ' HG2' ' A' ' 559' ' ' LYS . 50.8 Cg_exo -47.12 -50.68 10.63 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.379 2.053 . . . . 0.23999999999999999 112.713 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 538' ' ' GLN . 43.6 mt-10 -67.06 -28.25 68.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.454 -0.339 . . . . 2.3399999999999999 111.588 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 26.5 t70 -70.38 -42.63 71.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.183 0.516 . . . . 1.0900000000000001 110.082 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.431 HG11 ' CD2' ' A' ' 524' ' ' PHE . 92.9 t -62.1 -42.13 93.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.56 -0.745 . . . . 0.28000000000000003 110.356 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.56 -29.15 70.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.176 -0.466 . . . . 0.17000000000000001 110.575 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 13.8 mm100 -64.95 -45.99 83.41 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 110.009 -0.367 . . . . 1.0800000000000001 110.009 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 5.0 mm-40 -57.37 -45.08 84.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.191 -0.67 . . . . 2.0699999999999998 109.191 175.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.464 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.7 mtt -54.95 -45.68 74.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.156 -0.929 . . . . 0.25 111.194 177.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 537' ' ' ALA . 86.0 t -64.67 -50.26 76.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.585 . . . . 0.23999999999999999 110.88 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.35 -36.99 84.29 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.921 0.341 . . . . 0.77000000000000002 111.921 -174.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 49.0 m -74.25 -12.2 60.49 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.929 0.344 . . . . 1.22 111.929 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.4 16.4 34.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.375 -0.917 . . . . 0.54000000000000004 113.366 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.5 m-85 -91.37 -53.07 4.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.058 0.456 . . . . 0.56000000000000005 110.52 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 61.8 t -107.92 152.01 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.595 -0.73 . . . . 0.17000000000000001 110.888 -174.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 45.5 t -91.24 143.3 26.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.004 -0.739 . . . . 0.42999999999999999 109.004 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -16.0 51.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 2.7200000000000002 112.313 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -82.13 -14.6 76.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.804 -0.713 . . . . 0.32000000000000001 112.661 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 554' ' ' MET . 47.9 m-20 -113.56 15.36 18.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.801 0.334 . . . . 1.23 110.66 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -55.79 -48.71 74.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.021 -0.536 . . . . 0.23999999999999999 111.373 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -64.27 -39.54 94.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 2.8999999999999999 110.636 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 83.0 m -61.12 -49.7 76.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 0.34999999999999998 111.201 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.617 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.6 mmt -64.1 -46.68 83.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.526 . . . . 0.14000000000000001 110.667 -178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.1 87.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.643 -0.708 . . . . 0.17000000000000001 111.233 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 556' ' ' LYS . 0.3 OUTLIER -64.31 -40.68 96.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.137 -0.69 . . . . 1.8300000000000001 109.137 179.259 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.598 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.41 -46.47 86.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.17999999999999999 110.114 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 554' ' ' MET . 60.2 mt -60.2 -51.35 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.144 -0.935 . . . . 0.17999999999999999 110.231 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.57 ' HG2' ' HG2' ' A' ' 533' ' ' PRO . 2.6 tmtp? -61.16 -46.72 89.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.06 -0.973 . . . . 2.2000000000000002 110.582 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.49 -40.31 65.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.134 -0.485 . . . . 1.03 111.392 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.698 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.5 tpt180 -72.7 -48.7 36.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 1.5700000000000001 110.408 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 558' ' ' ILE . 94.1 t -59.32 -35.18 56.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.091 -0.504 . . . . 0.23999999999999999 111.055 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.0 t -60.33 -47.61 85.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.001 -0.545 . . . . 0.83999999999999997 110.591 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -73.38 -36.23 66.03 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.955 0.407 . . . . 1.7 110.49 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.52 -54.38 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.689 -0.687 . . . . 0.57999999999999996 111.098 173.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . 0.445 ' HE3' HD22 ' A' ' 528' ' ' LEU . 97.9 mttt . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 0.88 111.023 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.347 0 N-CA-C 111.219 -0.753 . . . . 0.57999999999999996 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.588 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.6 OUTLIER -150.15 156.18 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 114.76 -0.72 . . . . 0.35999999999999999 109.62 -178.117 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -164.11 132.75 3.66 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.51 0.671 . . . . 2.96 110.631 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.585 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 57.9 t -104.63 138.63 28.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 115.237 -0.892 . . . . 0.23000000000000001 109.978 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.8 157.8 41.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.189 -0.46 . . . . 2.0099999999999998 110.744 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.488 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 85.9 mt -79.91 129.87 34.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.542 -0.754 . . . . 0.37 110.416 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -71.45 -21.55 61.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.212 0.53 . . . . 0.42999999999999999 110.046 176.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 9.8 pt-20 -143.79 171.01 14.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.183 -0.917 . . . . 2.02 109.524 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.1 112.15 17.13 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.312 -0.404 . . . . 2.3599999999999999 110.565 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 115.858 -0.61 . . . . 1.3700000000000001 111.784 -175.378 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . 0.412 HD12 ' CD ' ' A' ' 529' ' ' GLU . 18.5 mm . . . . . 0 CA--C 1.503 -0.839 0 N-CA-C 107.865 -1.161 . . . . 0.68000000000000005 107.865 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -105.52 119.51 39.29 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.322 -1.308 . . . . 0.45000000000000001 110.044 176.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.4 pt -110.88 -177.66 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 115.279 -0.873 . . . . 0.31 110.835 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.4 ' HE2' ' OE2' ' A' ' 523' ' ' GLU . 74.3 tttt -130.02 112.86 13.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.344 -0.613 . . . . 1.8100000000000001 109.344 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.585 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 54.3 mt -116.44 153.24 32.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.549 . . . . 0.59999999999999998 111.469 -174.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.673 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.2 m95 -119.26 118.87 32.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.473 -0.566 . . . . 0.34000000000000002 109.473 169.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.508 HD21 ' SD ' ' A' ' 554' ' ' MET . 39.4 tp -78.11 107.0 10.37 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.093 -0.503 . . . . 0.28999999999999998 110.073 175.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -99.88 145.14 28.13 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.004 -0.544 . . . . 3.3300000000000001 110.285 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.568 HG21 HG22 ' A' ' 509' ' ' ILE . 23.7 mm -101.72 105.88 18.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.168 -0.469 . . . . 0.51000000000000001 111.031 -177.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -67.59 -41.74 83.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.861 -0.609 . . . . 1.52 111.324 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -142.52 102.16 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.081 0.467 . . . . 0.70999999999999996 110.407 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.568 HG22 HG21 ' A' ' 506' ' ' ILE . 2.8 pp -74.06 -17.1 17.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.771 -0.649 . . . . 0.70999999999999996 112.187 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -71.42 -27.93 63.64 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.733 0.301 . . . . 3.1499999999999999 111.263 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -82.72 -4.43 57.86 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 120.784 0.326 . . . . 3.1899999999999999 111.607 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 26.6 mt -101.6 160.09 14.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.503 -0.317 . . . . 0.57999999999999996 110.464 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -120.32 67.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.067 0.46 . . . . 3.2999999999999998 110.758 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -158.75 -145.5 4.26 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.754 -0.736 . . . . 0.95999999999999996 111.939 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -117.39 83.36 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 3.5299999999999998 110.296 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -123.81 156.33 36.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 0.72999999999999998 109.865 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 519' ' ' ASN . 36.4 mtmm -122.36 157.67 31.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.646 -0.252 . . . . 1.98 110.442 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -77.87 37.22 0.23 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.974 0.893 . . . . 2.29 110.729 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 517' ' ' LYS . 6.5 p30 -166.63 33.58 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.46 -1.245 . . . . 2.5600000000000001 108.325 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.44 136.26 45.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.265 -0.879 . . . . 1.52 110.797 -171.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -144.87 138.52 27.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.477 -0.783 . . . . 0.42999999999999999 110.251 176.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.655 HD13 ' HB3' ' A' ' 545' ' ' TYR . 65.1 mt -121.73 105.24 16.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.418 -0.81 . . . . 0.39000000000000001 110.194 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.673 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 17.8 tt0 -76.41 122.8 25.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.754 -0.657 . . . . 0.59999999999999998 110.836 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -141.88 142.34 33.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.231 -0.44 . . . . 0.23999999999999999 110.218 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.2 m -88.22 129.78 35.26 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.497 -0.557 . . . . 1.24 109.497 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -120.88 115.12 22.62 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.597 -0.441 . . . . 0.27000000000000002 110.92 -173.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 9.8 t70 -81.3 113.01 19.13 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.841 -0.8 . . . . 0.57999999999999996 108.841 173.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.68 -14.08 60.52 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.26 0.467 . . . . 0.51000000000000001 112.26 -173.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.412 ' CD ' HD12 ' A' ' 498' ' ' ILE . 72.1 mt-10 -106.37 -39.4 5.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.588 0.232 . . . . 2.1800000000000002 111.113 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.57 -51.61 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.233 0.457 . . . . 4.0999999999999996 112.233 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 6.8 m-20 -69.15 150.06 47.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.391 0.615 . . . . 0.60999999999999999 111.872 -172.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 77.7 t -128.09 129.6 23.66 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 114.974 -1.012 . . . . 0.28000000000000003 109.892 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 86.6 Cg_exo -48.67 -52.05 9.26 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.85 2.366 . . . . 0.23999999999999999 113.065 -174.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.94 -28.95 69.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 2.3399999999999999 111.576 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.52 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 23.0 t70 -68.57 -46.83 68.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.163 0.506 . . . . 1.0900000000000001 109.685 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.2 t -62.37 -40.56 88.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.457 -0.792 . . . . 0.28000000000000003 111.036 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.88 -27.02 67.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.402 -0.363 . . . . 0.17000000000000001 111.078 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -70.78 -41.93 71.05 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.954 -0.387 . . . . 1.0800000000000001 109.954 173.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 36.4 mm-40 -58.01 -41.19 82.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.71 -0.677 . . . . 2.0699999999999998 109.492 174.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 55.8 mtt -58.93 -36.8 75.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.23 -0.895 . . . . 0.25 111.797 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.661 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 59.6 t -69.82 -38.84 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.039 -0.528 . . . . 0.23999999999999999 110.318 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.4 -34.0 61.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.865 -0.607 . . . . 0.77000000000000002 111.152 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 35.6 p -74.75 -21.08 59.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.115 -0.493 . . . . 1.22 111.391 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 98.08 17.49 29.66 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.762 -0.732 . . . . 0.54000000000000004 112.449 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.655 ' HB3' HD13 ' A' ' 522' ' ' ILE . 42.5 m-85 -90.94 -44.1 9.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.087 0.47 . . . . 0.56000000000000005 110.643 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 85.1 t -120.48 147.29 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.665 -0.698 . . . . 0.17000000000000001 110.399 -175.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 40.1 t -91.12 142.19 28.02 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.85 -0.796 . . . . 0.42999999999999999 108.85 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -55.02 -25.01 27.32 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.295 0.85 . . . . 2.7200000000000002 113.295 -170.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.04 -21.19 78.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.577 -0.821 . . . . 0.32000000000000001 112.748 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 554' ' ' MET . 45.2 m-20 -102.75 15.17 30.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.867 0.365 . . . . 1.23 110.677 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -56.27 -47.3 78.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.23999999999999999 111.593 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -64.75 -40.64 95.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.377 . . . . 2.8999999999999999 110.424 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . 0.424 ' O ' HG21 ' A' ' 485' ' ' VAL . 56.1 m -61.12 -47.5 85.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.617 -0.72 . . . . 0.34999999999999998 111.211 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.508 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.9 mmt -66.11 -46.99 75.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.132 0.492 . . . . 0.14000000000000001 110.86 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.45 -33.84 74.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.502 -0.772 . . . . 0.17000000000000001 111.238 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -66.2 -40.18 90.18 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.386 -0.37 . . . . 1.8300000000000001 110.186 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.588 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.89 -45.23 95.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.38 0.61 . . . . 0.17999999999999999 110.25 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.508 ' O ' HG23 ' A' ' 562' ' ' VAL . 55.6 mt -60.47 -51.46 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 114.86 -1.064 . . . . 0.17999999999999999 109.963 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.29 -40.42 93.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.765 . . . . 2.2000000000000002 111.318 -176.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.68 -42.34 98.05 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.138 0.494 . . . . 1.03 110.051 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.667 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 0.4 OUTLIER -65.47 -53.03 48.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.598 . . . . 1.5700000000000001 110.674 177.003 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 558' ' ' ILE . 92.6 t -55.65 -37.18 45.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.232 -0.44 . . . . 0.23999999999999999 110.677 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 47.6 t -55.47 -56.89 15.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.83999999999999997 110.668 176.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -66.73 -36.22 81.94 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.868 0.366 . . . . 1.7 110.785 -176.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 63.3 mt -53.77 -52.17 37.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.815 -0.629 . . . . 0.57999999999999996 110.619 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 115.631 -0.713 . . . . 0.88 111.492 -179.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.4 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 C--O 1.228 -0.224 0 CA-C-O 120.685 0.047 . . . . 0.57999999999999996 113.034 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.608 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -148.68 161.78 5.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 122.861 0.464 . . . . 0.35999999999999999 110.774 177.092 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -163.2 137.05 5.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.865 -0.607 . . . . 2.96 110.254 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 50.5 t -112.98 137.62 45.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.903 -0.59 . . . . 0.23000000000000001 111.191 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.445 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 58.3 mt-10 -134.45 160.58 37.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.291 -0.868 . . . . 2.0099999999999998 110.719 -176.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.522 HD23 HD23 ' A' ' 502' ' ' LEU . 74.4 mt -80.26 140.29 36.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.875 -0.602 . . . . 0.37 110.288 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -86.45 -0.34 55.8 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.75 0.786 . . . . 0.42999999999999999 109.313 172.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.38 179.49 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.646 -1.161 . . . . 2.02 110.086 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -102.32 76.41 1.56 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.193 -0.458 . . . . 2.3599999999999999 109.985 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.431 -0.35 . . . . 1.3700000000000001 110.806 -177.363 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 30.4 mm . . . . . 0 N--CA 1.446 -0.663 0 CA-C-O 121.046 0.45 . . . . 0.68000000000000005 110.211 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -128.78 134.02 48.25 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.101 -0.5 . . . . 0.45000000000000001 110.814 -176.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.438 ' CD1' HD13 ' A' ' 565' ' ' ILE . 11.8 pt -131.24 -177.4 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 115.552 -0.749 . . . . 0.31 110.769 -175.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 23.1 ttmm -130.75 121.33 25.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.809 -0.632 . . . . 1.8100000000000001 109.398 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.522 HD23 HD23 ' A' ' 489' ' ' LEU . 42.6 mt -116.65 157.6 25.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.144 -0.48 . . . . 0.59999999999999998 111.484 -175.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.724 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 38.7 m95 -121.2 120.07 34.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.34000000000000002 109.971 170.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.592 HD21 ' SD ' ' A' ' 554' ' ' MET . 51.1 tp -81.84 96.14 7.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.717 -0.674 . . . . 0.28999999999999998 109.802 175.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.561 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 35.5 mtm105 -85.3 135.75 33.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.085 -0.507 . . . . 3.3300000000000001 110.249 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.53 HG21 HG22 ' A' ' 509' ' ' ILE . 30.8 mm -91.41 118.03 35.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.033 -0.53 . . . . 0.51000000000000001 110.387 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.4 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.2 mm-40 -82.51 -41.99 18.98 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.074 -0.512 . . . . 1.52 111.692 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.593 ' CG ' ' HD3' ' A' ' 511' ' ' LYS . 11.5 t0 -143.63 102.0 3.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.071 0.463 . . . . 0.70999999999999996 111.078 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.53 HG22 HG21 ' A' ' 506' ' ' ILE . 2.9 pp -77.52 -6.51 9.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.267 0.84 . . . . 0.70999999999999996 113.267 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -75.46 -38.54 59.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.478 0.656 . . . . 3.1499999999999999 109.489 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . 0.593 ' HD3' ' CG ' ' A' ' 508' ' ' ASP . 14.1 mptt -64.82 -35.73 82.05 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.009 -0.996 . . . . 3.1899999999999999 111.402 177.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.07 144.21 30.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.884 -0.598 . . . . 0.57999999999999996 110.979 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -112.54 75.93 0.95 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.922 -0.581 . . . . 3.2999999999999998 110.119 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -167.32 -148.99 5.84 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.492 -0.643 . . . . 0.95999999999999996 111.492 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.14 101.52 10.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.041 0.448 . . . . 3.5299999999999998 110.095 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -142.21 169.28 17.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.723 -0.672 . . . . 0.72999999999999998 110.354 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' A' ' 519' ' ' ASN . 10.1 mtmp? -133.79 154.29 51.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.811 -0.631 . . . . 1.98 109.47 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -76.74 37.11 0.17 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.833 0.825 . . . . 2.29 110.629 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 517' ' ' LYS . 27.9 p30 -166.66 28.09 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.876 -1.056 . . . . 2.5600000000000001 109.084 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -97.68 139.77 33.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.306 -0.861 . . . . 1.52 110.817 -172.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.571 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -148.42 125.49 11.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.658 -0.701 . . . . 0.42999999999999999 110.486 176.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.538 HD13 ' HB3' ' A' ' 545' ' ' TYR . 95.7 mt -105.0 109.06 26.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.283 -0.871 . . . . 0.39000000000000001 110.568 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.724 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 20.2 tt0 -75.51 127.88 34.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.888 -0.597 . . . . 0.59999999999999998 110.351 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -146.74 140.97 26.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.933 -0.395 . . . . 0.23999999999999999 109.933 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 28.9 m -87.74 139.62 30.35 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.729 -0.471 . . . . 1.24 109.729 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 528' ' ' LEU . 27.6 t80 -130.14 115.66 17.35 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.236 -0.585 . . . . 0.27000000000000002 111.147 -171.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 531' ' ' ASP . 12.4 t70 -85.46 111.06 19.62 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.239 -1.023 . . . . 0.57999999999999996 108.239 171.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 526' ' ' PHE . 71.1 mt -62.99 -15.55 56.63 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.173 -0.467 . . . . 0.51000000000000001 112.184 -172.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -101.66 -43.87 5.74 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.978 -0.289 . . . . 2.1800000000000002 111.289 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -88.66 -42.48 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.39 0.515 . . . . 4.0999999999999996 112.39 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 527' ' ' ASP . 2.4 m-20 -74.67 139.29 43.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.562 0.696 . . . . 0.60999999999999999 111.906 -173.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 96.8 t -114.57 127.25 27.01 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 114.727 -1.124 . . . . 0.28000000000000003 108.259 174.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.447 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 34.2 Cg_exo -60.07 -37.24 85.67 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.878 2.386 . . . . 0.23999999999999999 112.526 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -63.53 -36.53 84.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.125 -0.489 . . . . 2.3399999999999999 110.619 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 539' ' ' GLU . 22.9 t70 -70.73 -42.14 70.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.843 -0.429 . . . . 1.0900000000000001 109.843 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.429 ' HA ' ' OE1' ' A' ' 539' ' ' GLU . 99.3 t -57.91 -48.99 82.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.28000000000000003 110.248 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.32 -18.81 64.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.17000000000000001 111.029 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.679 HE21 ' HA ' ' A' ' 538' ' ' GLN . 0.0 OUTLIER -81.65 -41.52 21.3 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.28 -0.637 . . . . 1.0800000000000001 109.28 176.414 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 535' ' ' ASP . 21.1 mt-10 -57.88 -41.17 81.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.743 -0.836 . . . . 2.0699999999999998 108.743 173.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 54.7 mtt -54.59 -42.47 71.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.409 -1.269 . . . . 0.25 111.145 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.638 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.0 t -68.99 -47.79 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.162 -0.472 . . . . 0.23999999999999999 110.794 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 44.1 mt-10 -63.7 -34.54 78.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.942 -0.572 . . . . 0.77000000000000002 111.718 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 45.6 m -89.53 7.2 37.44 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.895 0.332 . . . . 1.22 111.895 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 85.78 9.71 77.43 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.882 -0.675 . . . . 0.54000000000000004 114.079 172.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.538 ' HB3' HD13 ' A' ' 522' ' ' ILE . 86.2 m-85 -82.08 -55.59 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.263 0.554 . . . . 0.56000000000000005 110.672 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 79.4 t -111.54 149.08 14.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.514 -0.767 . . . . 0.17000000000000001 110.954 -173.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 51.8 t -85.94 141.75 29.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.007 -0.542 . . . . 0.42999999999999999 109.642 175.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . 0.405 ' HB3' HG11 ' A' ' 541' ' ' VAL . 9.9 pt-20 -61.98 -20.43 63.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.64 -0.709 . . . . 2.7200000000000002 112.329 -173.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -77.78 -17.36 78.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.583 -0.818 . . . . 0.32000000000000001 112.361 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 554' ' ' MET . 7.3 m-20 -116.76 25.53 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.452 0.644 . . . . 1.23 110.509 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -58.01 -44.27 87.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.944 -1.026 . . . . 0.23999999999999999 110.479 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -66.54 -41.79 88.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 2.8999999999999999 110.865 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 20.8 m -56.72 -46.15 81.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.844 -0.616 . . . . 0.34999999999999998 110.882 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.592 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.6 mmt -68.62 -48.69 63.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.703 -0.68 . . . . 0.14000000000000001 110.917 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.38 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.89 -0.595 . . . . 0.17000000000000001 111.143 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 10.7 tmtt? -66.98 -44.4 80.52 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.415 -0.587 . . . . 1.8300000000000001 109.415 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.608 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.17 -45.69 87.05 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.28 0.562 . . . . 0.17999999999999999 110.141 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 554' ' ' MET . 40.0 mt -62.04 -48.0 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.112 -0.949 . . . . 0.17999999999999999 109.978 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -63.16 -38.66 92.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.654 -0.703 . . . . 2.2000000000000002 110.972 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.54 -40.81 97.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.03 110.462 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.7 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.2 tpt180 -73.36 -45.48 54.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.825 -0.625 . . . . 1.5700000000000001 110.51 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 558' ' ' ILE . 71.0 t -59.91 -36.28 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.652 -0.249 . . . . 0.23999999999999999 110.961 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 28.6 t -56.36 -49.9 73.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.114 -0.494 . . . . 0.83999999999999997 110.56 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -72.29 -38.3 68.8 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.533 -0.303 . . . . 1.7 110.313 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.438 HD13 ' CD1' ' A' ' 500' ' ' ILE . 70.6 mt -55.11 -54.36 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 0.57999999999999996 111.387 175.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 51.9 mttp . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.889 -0.596 . . . . 0.88 110.88 178.684 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.361 0 CA-C-O 120.858 0.144 . . . . 0.57999999999999996 112.932 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.568 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -155.53 153.9 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 C-N-CA 124.143 0.977 . . . . 0.35999999999999999 108.926 177.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -164.91 143.18 6.48 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.707 -0.479 . . . . 2.96 109.707 177.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.648 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 65.3 t -109.26 136.82 43.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.046 0.451 . . . . 0.23000000000000001 111.474 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.585 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 73.3 mm-40 -121.4 159.66 25.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.29 -0.868 . . . . 2.0099999999999998 109.839 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 502' ' ' LEU . 68.9 mt -81.67 139.01 35.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.189 -0.46 . . . . 0.37 109.971 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -82.35 -20.73 36.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.527 0.679 . . . . 0.42999999999999999 109.796 175.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.65 -169.27 2.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.076 -0.966 . . . . 2.02 109.132 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -105.94 89.25 3.02 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.858 -0.337 . . . . 2.3599999999999999 110.485 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . 0.464 ' H ' HD13 ' A' ' 489' ' ' LEU . 18.1 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 1.3700000000000001 111.016 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . 0.465 HG23 ' CB ' ' A' ' 529' ' ' GLU . 16.0 mm . . . . . 0 CA--C 1.515 -0.397 0 CA-C-O 121.383 0.611 . . . . 0.68000000000000005 109.642 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -137.31 127.64 26.41 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.47 -0.786 . . . . 0.45000000000000001 110.469 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 14.0 pt -126.82 -178.1 2.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.017 -0.538 . . . . 0.31 111.335 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -123.83 115.78 21.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 1.8100000000000001 109.422 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.648 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 57.6 mt -115.32 159.77 20.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.0 -0.546 . . . . 0.59999999999999998 111.239 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.683 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 38.3 m95 -122.61 125.31 45.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.731 0.301 . . . . 0.34000000000000002 110.5 169.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.639 HD21 ' SD ' ' A' ' 554' ' ' MET . 23.8 tp -81.46 98.71 8.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.22 -0.446 . . . . 0.28999999999999998 110.263 176.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -84.31 137.04 33.66 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 120.837 -0.345 . . . . 3.3300000000000001 110.449 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.696 HG21 HG22 ' A' ' 509' ' ' ILE . 27.8 mm -90.41 108.87 20.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.904 -0.589 . . . . 0.51000000000000001 109.441 173.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -79.76 -38.2 33.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.273 -0.421 . . . . 1.52 110.842 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -151.47 111.3 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.095 -0.502 . . . . 0.70999999999999996 110.125 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.696 HG22 HG21 ' A' ' 506' ' ' ILE . 2.1 pp -74.66 -11.6 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.48 0.548 . . . . 0.70999999999999996 112.48 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -76.48 -22.04 55.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.366 0.603 . . . . 3.1499999999999999 110.247 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -73.95 -18.37 60.89 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.516 -0.765 . . . . 3.1899999999999999 110.754 174.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.557 HD11 HG23 ' A' ' 506' ' ' ILE . 27.8 mt -102.05 151.91 21.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.772 -0.649 . . . . 0.57999999999999996 111.6 -172.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -89.97 -26.48 20.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.256 -0.884 . . . . 3.2999999999999998 110.464 -176.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -84.18 -166.31 40.58 Favored Glycine 0 C--N 1.317 -0.515 0 CA-C-N 115.404 -0.816 . . . . 0.95999999999999996 112.578 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -111.58 110.85 21.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 3.5299999999999998 110.373 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -132.49 169.1 17.04 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.115 -0.698 . . . . 0.72999999999999998 109.115 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 35.0 mtmm -98.95 139.82 34.04 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.632 -0.507 . . . . 1.98 109.632 175.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.64 37.52 0.53 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.826 0.822 . . . . 2.29 110.64 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 517' ' ' LYS . 31.7 p30 -167.03 26.04 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.379 -1.282 . . . . 2.5600000000000001 108.947 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . 0.445 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 13.0 tt0 -111.34 143.81 41.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.113 -0.949 . . . . 1.52 111.102 -171.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.46 140.01 44.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.849 -0.614 . . . . 0.42999999999999999 110.631 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.644 HD13 ' HB3' ' A' ' 545' ' ' TYR . 96.8 mt -108.75 107.83 23.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.22 -0.9 . . . . 0.39000000000000001 110.601 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.683 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.1 tt0 -68.3 129.03 38.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 0.59999999999999998 110.877 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . 0.497 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 40.1 p90 -146.21 142.76 28.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.405 -0.362 . . . . 0.23999999999999999 110.072 176.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.4 m -84.57 143.2 29.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.17 -0.678 . . . . 1.24 109.17 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -131.93 115.76 16.28 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 119.722 -0.791 . . . . 0.27000000000000002 110.918 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.67 102.28 12.83 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.227 -1.027 . . . . 0.57999999999999996 108.227 171.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 23.3 mt -61.93 -18.37 60.05 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.417 0.627 . . . . 0.51000000000000001 111.363 -174.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.465 ' CB ' HG23 ' A' ' 498' ' ' ILE . 33.8 tt0 -93.24 -43.32 8.88 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.125 -0.943 . . . . 2.1800000000000002 111.058 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -97.44 -46.65 5.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.898 0.703 . . . . 4.0999999999999996 112.898 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.6 146.77 46.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.747 0.784 . . . . 0.60999999999999999 112.431 -171.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 89.4 t -117.08 135.04 22.97 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.535 -1.211 . . . . 0.28000000000000003 108.681 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.36 -36.84 70.41 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.466 2.777 . . . . 0.23999999999999999 112.971 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -71.28 -33.07 69.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.452 -0.34 . . . . 2.3399999999999999 111.235 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 27.1 t70 -69.69 -43.92 71.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.048 0.451 . . . . 1.0900000000000001 110.081 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.42 HG11 ' CD2' ' A' ' 524' ' ' PHE . 88.8 t -63.88 -42.07 94.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.714 -0.676 . . . . 0.28000000000000003 110.629 177.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.73 -26.76 68.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.511 -0.313 . . . . 0.17000000000000001 110.582 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.524 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 9.1 mm100 -66.79 -45.81 77.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.43 -0.35 . . . . 1.0800000000000001 110.236 173.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 29.0 mm-40 -59.15 -40.58 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 2.0699999999999998 109.676 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.476 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 55.8 mtt -55.3 -46.09 76.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.001 -1.0 . . . . 0.25 110.954 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.675 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 64.7 t -65.6 -49.93 74.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.23999999999999999 111.069 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.19 -36.5 84.25 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.131 0.419 . . . . 0.77000000000000002 112.131 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 54.0 m -81.94 -8.76 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.657 -0.417 . . . . 1.22 111.7 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 94.79 9.43 58.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.592 -0.813 . . . . 0.54000000000000004 113.773 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.644 ' HB3' HD13 ' A' ' 522' ' ' ILE . 82.5 m-85 -77.75 -43.5 30.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.294 0.568 . . . . 0.56000000000000005 110.102 177.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.675 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 81.9 t -122.84 147.85 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.102 -0.954 . . . . 0.17000000000000001 110.308 -175.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.4 ' O ' HG12 ' A' ' 546' ' ' VAL . 41.4 t -83.69 145.12 28.94 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.314 -0.625 . . . . 0.42999999999999999 109.314 174.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.17 -26.23 60.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 2.7200000000000002 111.1 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -71.2 -15.75 74.8 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.985 -0.626 . . . . 0.32000000000000001 112.462 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 554' ' ' MET . 68.4 m-20 -109.56 11.79 24.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.604 0.24 . . . . 1.23 111.056 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . 0.524 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 45.6 t-80 -56.98 -50.91 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.38 . . . . 0.23999999999999999 111.57 -177.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.18 -33.14 75.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.207 0.527 . . . . 2.8999999999999999 110.489 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 33.0 m -67.63 -47.23 70.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.227 -0.897 . . . . 0.34999999999999998 111.001 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.639 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.3 mmt -67.92 -42.1 81.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.14000000000000001 110.786 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.71 -33.73 70.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.625 -0.716 . . . . 0.17000000000000001 110.561 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -69.02 -44.96 71.7 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.924 -0.58 . . . . 1.8300000000000001 110.582 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -57.9 -46.02 85.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.435 . . . . 0.17999999999999999 110.35 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.497 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 80.2 mt -61.65 -50.76 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.284 -0.871 . . . . 0.17999999999999999 110.259 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -57.98 -44.11 86.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.981 -0.554 . . . . 2.2000000000000002 111.287 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -56.7 -47.81 79.08 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.826 0.346 . . . . 1.03 111.167 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.1 tpt180 -68.09 -44.44 76.24 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.82 -0.352 . . . . 1.5700000000000001 110.101 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 558' ' ' ILE . 75.4 t -60.47 -34.62 58.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.141 -0.481 . . . . 0.23999999999999999 111.089 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 71.1 m -62.03 -44.76 96.01 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 111.639 0.237 . . . . 0.83999999999999997 111.639 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -74.91 -31.8 61.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.347 0.594 . . . . 1.7 110.472 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 561' ' ' ARG . 78.1 mt -63.07 -51.94 65.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.323 -0.853 . . . . 0.57999999999999996 111.136 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 562' ' ' VAL . 97.3 mttt . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 115.894 -0.593 . . . . 0.88 111.338 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.083 0 CA-C-O 120.715 0.064 . . . . 0.57999999999999996 113.234 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.551 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.7 OUTLIER -148.65 155.75 8.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 122.712 0.405 . . . . 0.35999999999999999 110.144 177.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.635 ' C ' ' HD2' ' A' ' 486' ' ' ARG . 2.0 tmm_? -164.8 136.21 4.24 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.327 -0.852 . . . . 2.96 109.05 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.545 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 65.0 t -109.24 136.54 44.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.659 -0.7 . . . . 0.23000000000000001 111.169 -176.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -120.71 163.61 17.83 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.142 -0.936 . . . . 2.0099999999999998 110.012 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 502' ' ' LEU . 66.7 mt -83.69 149.5 26.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.953 -0.567 . . . . 0.37 110.687 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.609 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -92.73 -2.0 56.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.42999999999999999 110.074 174.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -152.37 -177.87 6.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.925 -1.034 . . . . 2.02 109.629 -172.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -94.02 81.28 4.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.145 0.498 . . . . 2.3599999999999999 110.6 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . 0.529 ' HB3' HD13 ' A' ' 489' ' ' LEU . 22.3 t70 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.796 -0.638 . . . . 1.3700000000000001 110.518 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 121.329 0.585 . . . . 0.68000000000000005 109.747 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -112.4 122.75 48.6 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.448 -0.796 . . . . 0.45000000000000001 110.278 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.461 ' CD1' HD13 ' A' ' 565' ' ' ILE . 12.5 pt -116.94 175.61 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.524 -0.762 . . . . 0.31 111.264 -173.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.494 ' HD2' ' CG ' ' A' ' 523' ' ' GLU . 4.5 tppp? -119.89 118.66 31.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.654 -0.703 . . . . 1.8100000000000001 109.888 176.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 489' ' ' LEU . 48.5 mt -117.18 158.2 24.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.879 -0.6 . . . . 0.59999999999999998 110.94 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.712 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.3 m95 -125.4 117.36 23.53 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.651 -0.5 . . . . 0.34000000000000002 109.651 170.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.59 HD21 ' SD ' ' A' ' 554' ' ' MET . 38.0 tp -73.4 107.33 5.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.28999999999999998 110.49 178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 520' ' ' GLU . 60.8 mtt180 -98.19 129.01 44.96 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.192 -0.458 . . . . 3.3300000000000001 110.59 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.541 HG21 HG22 ' A' ' 509' ' ' ILE . 21.0 mm -82.75 114.47 23.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.065 -0.717 . . . . 0.51000000000000001 109.065 174.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.36 -37.39 57.34 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.846 -0.616 . . . . 1.52 110.569 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.459 ' OD1' ' HB2' ' A' ' 510' ' ' LYS . 16.0 t70 -150.26 109.69 3.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.515 -0.766 . . . . 0.70999999999999996 109.237 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.541 HG22 HG21 ' A' ' 506' ' ' ILE . 2.3 pp -73.89 -17.16 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.959 0.409 . . . . 0.70999999999999996 111.028 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . 0.459 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 33.2 mmtp -70.99 -28.67 64.61 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.227 0.536 . . . . 3.1499999999999999 110.078 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -66.97 -18.04 65.2 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.41 -0.814 . . . . 3.1899999999999999 111.178 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.491 HD11 HG23 ' A' ' 506' ' ' ILE . 19.4 mt -103.89 163.29 12.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.087 -0.506 . . . . 0.57999999999999996 110.724 -175.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -105.57 7.62 32.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.011 -0.541 . . . . 3.2999999999999998 110.093 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -102.79 -175.14 26.87 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.616 -0.72 . . . . 0.95999999999999996 111.673 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -110.87 109.92 20.3 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.728 -0.471 . . . . 3.5299999999999998 109.728 -178.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . 0.432 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 78.6 m-85 -137.05 152.27 49.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.885 0.374 . . . . 0.72999999999999998 110.824 -175.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 519' ' ' ASN . 55.1 mtpt -74.44 144.9 44.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.728 -0.669 . . . . 1.98 109.765 174.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -78.9 36.54 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.171 0.986 . . . . 2.29 110.179 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' A' ' 517' ' ' LYS . 3.2 t-20 -168.9 27.52 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.36 -1.291 . . . . 2.5600000000000001 108.238 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 5.4 tp10 -84.04 132.37 34.73 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.365 -0.834 . . . . 1.52 110.57 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.578 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.64 111.95 9.8 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.441 -0.8 . . . . 0.42999999999999999 110.189 176.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.63 HD13 ' HB3' ' A' ' 545' ' ' TYR . 63.1 mt -97.13 106.69 18.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 114.601 -1.181 . . . . 0.39000000000000001 110.688 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.712 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.2 tt0 -68.81 132.86 47.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.307 -0.406 . . . . 0.59999999999999998 111.022 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . 0.531 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 37.2 p90 -151.21 145.78 25.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.065 -0.516 . . . . 0.23999999999999999 110.189 175.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 52.1 m -90.81 142.01 28.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.965 -0.383 . . . . 1.24 109.965 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -131.2 115.37 16.26 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.51 -0.476 . . . . 0.27000000000000002 110.681 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 11.3 t70 -84.34 113.46 21.17 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.544 -0.91 . . . . 0.57999999999999996 108.544 171.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.33 -22.85 66.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.946 -0.57 . . . . 0.51000000000000001 112.188 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -103.03 -29.14 11.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.74 0.305 . . . . 2.1800000000000002 111.575 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -106.98 -44.04 4.5 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.785 0.661 . . . . 4.0999999999999996 112.785 -174.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.12 150.24 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.174 0.511 . . . . 0.60999999999999999 111.549 -175.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 71.7 t -120.4 133.07 23.96 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.406 -0.815 . . . . 0.28000000000000003 109.914 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.582 ' HG2' ' HG2' ' A' ' 559' ' ' LYS . 36.3 Cg_exo -55.27 -41.15 81.23 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.507 2.804 . . . . 0.23999999999999999 112.78 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -71.53 -32.88 68.66 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.236 -0.438 . . . . 2.3399999999999999 110.908 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 20.1 t70 -69.13 -47.52 64.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.301 -0.408 . . . . 1.0900000000000001 110.112 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.492 HG11 ' CD2' ' A' ' 524' ' ' PHE . 100.0 t -59.46 -41.7 85.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.28000000000000003 110.851 178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -66.36 -25.73 66.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.17000000000000001 110.958 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -75.46 -40.34 57.57 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.716 0.293 . . . . 1.0800000000000001 110.268 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 49.4 mm-40 -57.31 -40.84 78.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.343 -0.614 . . . . 2.0699999999999998 109.343 172.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 537' ' ' ALA . 56.1 mtt -55.58 -45.38 77.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.022 -0.99 . . . . 0.25 110.975 175.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 537' ' ' ALA . 93.6 t -65.23 -51.17 68.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.839 -0.619 . . . . 0.23999999999999999 111.217 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.54 -33.01 74.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.77000000000000002 111.822 -175.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.7 m -83.39 -2.08 54.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.708 0.29 . . . . 1.22 111.435 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 84.97 28.79 30.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.797 -0.716 . . . . 0.54000000000000004 113.13 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.63 ' HB3' HD13 ' A' ' 522' ' ' ILE . 64.0 m-85 -98.45 -51.02 4.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.152 0.501 . . . . 0.56000000000000005 110.601 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.547 HG11 ' HG3' ' A' ' 554' ' ' MET . 71.6 t -115.93 150.15 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.315 -0.857 . . . . 0.17000000000000001 110.83 -172.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.1 t -83.92 141.08 31.53 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.205 -0.665 . . . . 0.42999999999999999 109.205 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -14.06 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.783 0.66 . . . . 2.7200000000000002 112.783 -173.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -90.86 -13.95 58.59 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.504 -0.855 . . . . 0.32000000000000001 112.499 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 554' ' ' MET . 15.9 m-20 -108.45 19.56 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.422 0.629 . . . . 1.23 110.128 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -60.28 -47.15 87.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.199 -0.909 . . . . 0.23999999999999999 110.983 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -56.28 -41.5 75.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 2.8999999999999999 110.959 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . 0.414 HG21 ' CD2' ' A' ' 512' ' ' LEU . 35.4 m -65.69 -44.68 85.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.34999999999999998 111.166 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.59 ' SD ' HD21 ' A' ' 504' ' ' LEU . 23.6 mmt -69.59 -45.5 68.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.14000000000000001 111.18 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.92 74.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.17000000000000001 110.48 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -65.4 -42.27 92.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.402 -0.817 . . . . 1.8300000000000001 110.519 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.551 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -62.1 -45.53 93.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.218 0.532 . . . . 0.17999999999999999 110.488 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.531 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 86.1 mt -61.77 -49.41 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 115.294 -0.866 . . . . 0.17999999999999999 110.424 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.582 ' HG2' ' HG2' ' A' ' 533' ' ' PRO . 1.8 tmtt? -64.53 -44.26 91.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.706 -0.679 . . . . 2.2000000000000002 110.467 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.3 -50.5 64.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.126 -0.488 . . . . 1.03 111.238 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.657 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 6.7 tpt180 -64.17 -47.84 78.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.08 -0.509 . . . . 1.5700000000000001 110.657 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 558' ' ' ILE . 77.8 t -56.5 -32.97 37.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.764 -0.653 . . . . 0.23999999999999999 111.294 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 53.5 m -64.48 -43.87 92.79 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 111.959 0.355 . . . . 0.83999999999999997 111.959 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.1 pp -74.5 -32.3 62.48 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.618 0.723 . . . . 1.7 109.952 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.461 HD13 ' CD1' ' A' ' 500' ' ' ILE . 72.9 mt -61.43 -47.28 94.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 114.92 -1.036 . . . . 0.57999999999999996 111.069 173.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 94.6 mttt . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 0.88 111.001 177.427 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.441 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.516 0.133 0 N-CA-C 113.653 0.221 . . . . 0.57999999999999996 113.653 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -153.41 159.37 3.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 123.1 0.56 . . . . 0.35999999999999999 109.607 177.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.424 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 15.5 tpp180 -159.09 131.7 6.84 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.366 0.603 . . . . 2.96 110.289 177.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.594 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 46.4 t -104.13 137.1 34.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.411 -0.813 . . . . 0.23000000000000001 110.714 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.549 ' OE2' ' HD2' ' A' ' 505' ' ' ARG . 44.5 mt-10 -129.46 158.1 40.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.625 -0.716 . . . . 2.0099999999999998 110.517 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.535 HD23 HD23 ' A' ' 502' ' ' LEU . 76.3 mt -77.3 137.58 38.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.835 -0.621 . . . . 0.37 110.664 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.452 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -81.03 -18.32 47.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.41 0.624 . . . . 0.42999999999999999 110.221 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -141.5 168.65 19.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.277 -0.874 . . . . 2.02 109.776 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.43 115.21 14.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.215 -0.448 . . . . 2.3599999999999999 110.254 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . 0.436 ' HB3' HD13 ' A' ' 489' ' ' LEU . 28.5 t70 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.187 0.518 . . . . 1.3700000000000001 111.405 -177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 121.628 0.728 . . . . 0.68000000000000005 109.475 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -126.02 121.99 34.57 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.033 -0.985 . . . . 0.45000000000000001 110.524 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.476 ' CD1' HD13 ' A' ' 565' ' ' ILE . 10.5 pt -118.25 -174.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.572 -0.74 . . . . 0.31 110.805 -174.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 30.2 ttpt -136.84 122.26 19.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.826 -0.625 . . . . 1.8100000000000001 109.952 177.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.594 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 28.1 mt -119.83 159.13 25.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.502 -0.772 . . . . 0.59999999999999998 110.967 -172.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.7 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.1 m95 -121.95 121.35 36.87 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.764 -0.458 . . . . 0.34000000000000002 109.764 169.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.615 HD21 ' SD ' ' A' ' 554' ' ' MET . 60.7 tp -78.88 96.19 5.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.123 -0.489 . . . . 0.28999999999999998 109.992 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.711 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 43.7 mtt180 -90.85 123.62 34.53 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.788 -0.642 . . . . 3.3300000000000001 110.43 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.584 HG21 HG22 ' A' ' 509' ' ' ILE . 18.8 mm -79.13 122.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.51000000000000001 110.175 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.441 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 6.9 mm-40 -86.12 -47.24 9.69 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.025 -0.534 . . . . 1.52 110.765 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.465 ' OD1' ' HG2' ' A' ' 511' ' ' LYS . 12.8 t70 -134.45 105.63 6.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.315 -0.402 . . . . 0.70999999999999996 110.188 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.584 HG22 HG21 ' A' ' 506' ' ' ILE . 2.0 pp -75.39 -9.23 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.70999999999999996 111.888 -177.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . 0.404 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 35.5 mmtp -81.86 -29.92 32.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 3.1499999999999999 110.375 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . 0.465 ' HG2' ' OD1' ' A' ' 508' ' ' ASP . 74.2 mmtt -68.8 -10.8 58.79 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.865 -0.607 . . . . 3.1899999999999999 110.954 176.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.406 HD11 HG23 ' A' ' 506' ' ' ILE . 15.8 mt -111.34 156.21 21.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.57999999999999996 110.649 -175.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -102.06 -16.13 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 3.2999999999999998 111.157 -175.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -78.23 -154.73 7.48 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.752 -0.737 . . . . 0.95999999999999996 113.147 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 105.17 12.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.714 -0.476 . . . . 3.5299999999999998 109.714 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -136.73 149.09 47.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.987 0.422 . . . . 0.72999999999999998 110.53 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 49.3 mtmt -101.15 157.17 16.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.978 -0.555 . . . . 1.98 109.949 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -80.52 17.77 1.04 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.494 0.664 . . . . 2.29 111.73 -173.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -149.04 22.25 0.97 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.873 -1.058 . . . . 2.5600000000000001 109.073 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 16.0 tt0 -97.04 139.64 32.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 1.52 110.966 -173.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.711 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -143.55 132.13 22.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.199 -0.91 . . . . 0.42999999999999999 110.529 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.511 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 89.4 mt -103.99 104.31 16.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-N 115.418 -0.81 . . . . 0.39000000000000001 110.654 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.7 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 25.2 tt0 -71.25 128.49 36.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.59999999999999998 110.399 178.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . 0.41 ' CD2' HG11 ' A' ' 536' ' ' VAL . 39.9 p90 -149.41 140.95 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.174 -0.466 . . . . 0.23999999999999999 109.982 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 8.9 p -83.44 150.13 26.23 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.678 -0.49 . . . . 1.24 109.678 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -137.02 114.86 11.34 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.052 -0.659 . . . . 0.27000000000000002 110.955 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.18 110.13 18.28 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.581 -0.896 . . . . 0.57999999999999996 108.581 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.48 ' CD2' HG13 ' A' ' 562' ' ' VAL . 86.4 mt -63.57 -20.03 65.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.154 -0.475 . . . . 0.51000000000000001 112.113 -172.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -96.47 -46.97 6.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.433 -0.349 . . . . 2.1800000000000002 111.586 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -90.04 -38.24 13.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.053 0.761 . . . . 4.0999999999999996 113.053 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -83.59 152.93 24.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.493 0.663 . . . . 0.60999999999999999 112.041 -172.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 76.0 t -126.93 131.89 24.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.086 -0.961 . . . . 0.28000000000000003 109.718 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -54.2 -39.5 86.07 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.574 2.849 . . . . 0.23999999999999999 113.648 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.03 -25.26 59.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.667 0.27 . . . . 2.3399999999999999 111.198 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -72.51 -48.04 43.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.412 0.625 . . . . 1.0900000000000001 109.703 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 524' ' ' PHE . 97.8 t -62.48 -40.67 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.164 -0.925 . . . . 0.28000000000000003 111.169 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.28 -17.3 64.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.367 . . . . 0.17000000000000001 111.216 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -78.05 -40.7 37.91 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 110.129 -0.323 . . . . 1.0800000000000001 110.129 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -57.19 -41.7 79.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.997 -0.742 . . . . 2.0699999999999998 108.997 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.445 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 56.2 mtt -55.14 -42.09 72.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.844 -1.071 . . . . 0.25 111.335 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.6 t -70.2 -46.76 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 0.23999999999999999 111.039 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.09 -34.62 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.77000000000000002 111.636 -175.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 23.4 m -75.6 -9.6 58.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.66 0.267 . . . . 1.22 111.431 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 92.25 16.01 51.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.54000000000000004 113.041 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.46 ' HB3' HD13 ' A' ' 522' ' ' ILE . 44.2 m-85 -90.97 -52.44 4.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.344 0.592 . . . . 0.56000000000000005 110.889 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 73.2 t -111.64 148.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.463 -0.79 . . . . 0.17000000000000001 110.484 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.0 t -82.16 140.49 33.72 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.244 -0.65 . . . . 0.42999999999999999 109.244 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . 0.459 ' HB2' HG11 ' A' ' 541' ' ' VAL . 13.3 tm-20 -56.32 -32.33 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 2.7200000000000002 110.694 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.92 -32.65 84.91 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.7 -0.762 . . . . 0.32000000000000001 112.216 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -89.16 7.88 32.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.367 . . . . 1.23 111.026 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -54.99 -39.4 68.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.04 -0.527 . . . . 0.23999999999999999 111.376 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . 0.538 ' HD3' ' H ' ' A' ' 552' ' ' LYS . 0.1 OUTLIER -66.72 -43.61 83.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.04 0.447 . . . . 2.8999999999999999 110.483 -177.251 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 59.3 m -65.1 -44.98 87.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.312 -0.858 . . . . 0.34999999999999998 111.051 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.615 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.4 mmt -67.41 -47.03 71.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.963 -0.562 . . . . 0.14000000000000001 110.938 -177.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.79 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.17000000000000001 110.753 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . 0.44 ' O ' ' HD2' ' A' ' 556' ' ' LYS . 0.0 OUTLIER -72.78 -37.6 67.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.379 -0.6 . . . . 1.8300000000000001 109.379 177.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.61 -46.93 88.4 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.17 0.509 . . . . 0.17999999999999999 109.844 174.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 554' ' ' MET . 59.1 mt -59.89 -53.62 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 114.997 -1.001 . . . . 0.17999999999999999 110.026 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -61.03 -40.35 93.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.849 -0.614 . . . . 2.2000000000000002 111.032 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 9.2 t0 -54.96 -52.83 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 1.03 110.296 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -67.16 -47.78 69.98 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.407 -0.815 . . . . 1.5700000000000001 110.813 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 558' ' ' ILE . 79.2 t -58.15 -39.34 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.969 -0.559 . . . . 0.23999999999999999 111.394 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.0 t -62.06 -40.93 97.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.263 -0.426 . . . . 0.83999999999999997 110.217 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 76.2 mt -68.79 -38.97 80.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.387 0.613 . . . . 1.7 110.319 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.476 HD13 ' CD1' ' A' ' 500' ' ' ILE . 81.3 mt -60.09 -44.16 94.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.121 -0.945 . . . . 0.57999999999999996 110.967 176.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 39.2 mttm . . . . . 0 C--N 1.321 -0.654 0 CA-C-N 115.584 -0.735 . . . . 0.88 110.984 175.636 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.601 0 N-CA-C 110.233 -1.147 . . . . 0.57999999999999996 110.233 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.63 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -149.04 154.62 9.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.465 -0.868 . . . . 0.35999999999999999 109.85 -179.442 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -156.97 135.63 11.55 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.344 0.593 . . . . 2.96 110.646 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 47.2 t -109.69 136.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.375 -0.829 . . . . 0.23000000000000001 110.555 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.442 ' OE2' ' HD2' ' A' ' 505' ' ' ARG . 39.5 mt-10 -132.83 162.16 32.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.395 -0.821 . . . . 2.0099999999999998 110.161 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 84.8 mt -84.11 141.49 31.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.976 -0.556 . . . . 0.37 111.675 -174.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -88.83 -11.31 45.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.576 -0.738 . . . . 0.42999999999999999 109.478 171.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.562 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 13.2 pt-20 -154.43 167.48 29.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.113 -0.949 . . . . 2.02 109.457 -176.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.79 122.59 23.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.463 -0.335 . . . . 2.3599999999999999 110.568 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 . . . . . 0 N--CA 1.443 -0.804 0 CA-C-O 121.735 0.779 . . . . 1.3700000000000001 111.246 -178.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 36.6 mm . . . . . 0 N--CA 1.445 -0.711 0 N-CA-C 109.317 -0.623 . . . . 0.68000000000000005 109.317 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -120.31 121.43 38.62 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.44 -0.8 . . . . 0.45000000000000001 110.992 -177.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.54 ' CD1' HD13 ' A' ' 565' ' ' ILE . 14.9 pt -114.6 -177.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.404 -0.816 . . . . 0.31 110.488 -177.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.517 ' HD2' ' CG ' ' A' ' 523' ' ' GLU . 4.0 tppp? -123.29 121.84 36.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.254 -0.43 . . . . 1.8100000000000001 110.421 177.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.54 HD23 HD23 ' A' ' 489' ' ' LEU . 25.9 mt -119.66 157.84 27.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.712 -0.676 . . . . 0.59999999999999998 110.483 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.629 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.3 m95 -121.76 128.88 52.24 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.765 -0.458 . . . . 0.34000000000000002 109.765 170.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.591 HD21 ' SD ' ' A' ' 554' ' ' MET . 57.1 tp -89.9 109.06 20.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.28999999999999998 110.672 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.527 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 58.3 mtt85 -102.76 140.53 36.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.237 -0.438 . . . . 3.3300000000000001 110.567 177.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.456 HG21 HG22 ' A' ' 509' ' ' ILE . 20.2 mm -93.66 126.78 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.366 -0.379 . . . . 0.51000000000000001 110.607 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -87.0 -29.45 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.928 -0.578 . . . . 1.52 111.007 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.443 ' CG ' ' HG2' ' A' ' 511' ' ' LYS . 23.3 t0 -147.06 90.59 1.91 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.98 -0.554 . . . . 0.70999999999999996 110.029 -177.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.456 HG22 HG21 ' A' ' 506' ' ' ILE . 2.5 pp -73.53 -10.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.299 -0.409 . . . . 0.70999999999999996 111.136 -177.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.16 -25.94 36.45 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.992 -0.549 . . . . 3.1499999999999999 111.144 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . 0.443 ' HG2' ' CG ' ' A' ' 508' ' ' ASP . 46.0 mmtm -83.46 -24.2 31.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.894 0.378 . . . . 3.1899999999999999 111.255 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 36.1 mt -81.71 159.19 23.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.942 -0.572 . . . . 0.57999999999999996 110.394 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -112.12 66.32 0.64 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.688 0.756 . . . . 3.2999999999999998 109.492 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.21 -170.62 25.04 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.033 -0.985 . . . . 0.95999999999999996 110.731 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -106.48 101.66 11.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.165 0.483 . . . . 3.5299999999999998 110.784 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -136.03 145.66 46.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.628 -0.714 . . . . 0.72999999999999998 109.733 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.473 ' C ' ' H ' ' A' ' 519' ' ' ASN . 9.1 mptt -90.98 156.58 17.85 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.234 -0.654 . . . . 1.98 109.234 176.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.93 35.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.85 0.833 . . . . 2.29 110.709 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 517' ' ' LYS . 27.3 t-20 -174.95 37.21 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.543 -1.208 . . . . 2.5600000000000001 108.09 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -105.22 135.12 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.343 -0.844 . . . . 1.52 109.986 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.96 118.93 16.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.72 -0.673 . . . . 0.42999999999999999 110.58 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.579 HD13 ' HB3' ' A' ' 545' ' ' TYR . 95.0 mt -95.14 105.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 114.922 -1.035 . . . . 0.39000000000000001 110.484 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.629 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 19.6 tt0 -72.27 126.74 30.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.141 -0.481 . . . . 0.59999999999999998 110.267 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . 0.466 ' CD2' HG11 ' A' ' 536' ' ' VAL . 36.3 p90 -146.28 145.1 30.24 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.948 -0.39 . . . . 0.23999999999999999 109.948 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 32.5 p -88.94 149.53 23.27 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.699 -0.482 . . . . 1.24 109.699 176.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 29.4 t80 -130.29 116.61 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.412 -0.515 . . . . 0.27000000000000002 110.707 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . 0.461 ' HB3' ' H ' ' A' ' 531' ' ' ASP . 10.7 t70 -84.58 109.42 17.94 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.807 -0.812 . . . . 0.57999999999999996 108.807 173.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.449 HD23 ' CD1' ' A' ' 526' ' ' PHE . 59.7 mt -68.16 -9.03 43.67 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.863 -0.608 . . . . 0.51000000000000001 112.209 -172.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -105.78 -50.44 3.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.347 . . . . 2.1800000000000002 110.944 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -86.37 -50.38 6.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.537 0.569 . . . . 4.0999999999999996 112.537 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . 0.461 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 51.3 m-20 -72.32 147.82 45.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.325 0.583 . . . . 0.60999999999999999 111.388 -173.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.407 HG13 ' HD2' ' A' ' 533' ' ' PRO . 70.3 t -120.41 140.27 29.99 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.289 -0.869 . . . . 0.28000000000000003 109.098 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.407 ' HD2' HG13 ' A' ' 532' ' ' VAL . 72.9 Cg_exo -51.94 -49.1 18.43 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.063 1.842 . . . . 0.23999999999999999 112.249 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.71 -30.21 70.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.412 -0.358 . . . . 2.3399999999999999 111.453 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.14 -46.01 62.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.117 0.484 . . . . 1.0900000000000001 110.143 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.71 ' O ' ' HG3' ' A' ' 539' ' ' GLU . 89.2 t -64.43 -37.37 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.28000000000000003 110.42 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.0 -14.52 62.97 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.601 -0.44 . . . . 0.17000000000000001 110.938 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.41 ' HG2' ' NE2' ' A' ' 551' ' ' HIS . 9.8 mm100 -84.81 -42.41 15.16 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.827 -0.169 . . . . 1.0800000000000001 110.692 174.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . 0.71 ' HG3' ' O ' ' A' ' 536' ' ' VAL . 0.0 OUTLIER -67.0 -28.92 68.65 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.527 -0.545 . . . . 2.0699999999999998 109.527 176.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 52.5 mtt -58.67 -45.75 88.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.431 -0.804 . . . . 0.25 110.469 170.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 537' ' ' ALA . 86.1 t -65.2 -50.26 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.473 -0.785 . . . . 0.23999999999999999 110.936 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.31 -36.05 74.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.31 -0.404 . . . . 0.77000000000000002 111.449 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 20.2 m -80.87 -1.51 43.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.4 -0.364 . . . . 1.22 111.535 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 88.54 0.7 81.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.952 -0.642 . . . . 0.54000000000000004 113.537 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.579 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.8 m-85 -70.54 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.169 0.509 . . . . 0.56000000000000005 110.568 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.616 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 95.8 t -101.05 148.28 7.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.615 -0.721 . . . . 0.17000000000000001 110.294 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 37.9 t -90.27 139.01 31.07 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.335 -0.987 . . . . 0.42999999999999999 108.335 173.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . 0.589 ' HB2' HG11 ' A' ' 541' ' ' VAL . 34.3 tt0 -66.55 -11.72 54.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.277 0.473 . . . . 2.7200000000000002 112.277 -168.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -79.13 -17.63 76.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.781 -0.723 . . . . 0.32000000000000001 112.038 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -113.28 24.31 12.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.531 0.681 . . . . 1.23 109.549 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . 0.41 ' NE2' ' HG2' ' A' ' 538' ' ' GLN . 18.4 t-80 -61.92 -44.87 95.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.87 -1.059 . . . . 0.23999999999999999 111.631 -176.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -67.72 -39.7 84.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.292 . . . . 2.8999999999999999 110.87 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 69.5 m -56.74 -45.67 81.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.817 -0.629 . . . . 0.34999999999999998 110.917 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.591 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.8 mmt -67.58 -47.45 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.514 . . . . 0.14000000000000001 110.833 -178.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -59.46 -37.52 78.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.606 -0.724 . . . . 0.17000000000000001 111.368 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.54 -40.06 92.48 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.128 -0.487 . . . . 1.8300000000000001 110.108 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.63 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -59.67 -46.46 88.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.327 0.584 . . . . 0.17999999999999999 110.185 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 554' ' ' MET . 59.0 mt -59.83 -52.33 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.905 -1.043 . . . . 0.17999999999999999 110.33 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.08 -39.18 88.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.851 -0.613 . . . . 2.2000000000000002 111.081 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.04 -35.58 81.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 1.03 110.89 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 561' ' ' ARG . 8.4 tpt180 -76.31 -45.6 31.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.904 0.383 . . . . 1.5700000000000001 110.403 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 558' ' ' ILE . 95.9 t -59.38 -27.75 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.748 -0.66 . . . . 0.23999999999999999 110.511 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.8 t -56.76 -51.11 70.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.497 . . . . 0.83999999999999997 110.444 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.23 -38.7 90.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.547 0.689 . . . . 1.7 110.762 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.54 HD13 ' CD1' ' A' ' 500' ' ' ILE . 57.4 mt -68.77 -45.85 80.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.124 -0.944 . . . . 0.57999999999999996 111.411 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 94.5 mttt . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 116.139 -0.482 . . . . 0.88 111.594 179.392 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.434 ' CA ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.443 -0.889 0 N-CA-C 111.104 -0.799 . . . . 0.57999999999999996 111.104 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.566 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 1.2 m -142.86 154.24 17.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.321 -0.439 . . . . 0.35999999999999999 111.229 178.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.428 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 13.8 tpp180 -158.87 133.93 8.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.637 0.732 . . . . 2.96 111.464 177.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 43.5 t -109.74 134.98 50.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.176 -0.92 . . . . 0.23000000000000001 110.217 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.418 ' OE1' ' HD2' ' A' ' 505' ' ' ARG . 44.6 mt-10 -130.78 156.78 44.4 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.734 -0.666 . . . . 2.0099999999999998 110.706 -176.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 43.3 mt -79.8 133.48 36.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.765 -0.652 . . . . 0.37 110.635 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.579 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -81.0 -18.51 46.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.547 0.689 . . . . 0.42999999999999999 109.679 174.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 11.2 pt-20 -137.66 156.67 47.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.577 -1.192 . . . . 2.02 109.055 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . 0.404 ' H ' ' HG2' ' A' ' 492' ' ' GLU . 7.4 pt-20 -69.36 115.71 8.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.931 -0.577 . . . . 2.3599999999999999 110.378 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.137 0.494 . . . . 1.3700000000000001 110.729 179.929 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 40.8 mm . . . . . 0 N--CA 1.448 -0.572 0 CA-C-O 121.201 0.524 . . . . 0.68000000000000005 109.922 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -133.23 120.87 21.68 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.743 . . . . 0.45000000000000001 110.549 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.518 ' CD1' HD13 ' A' ' 565' ' ' ILE . 10.5 pt -115.34 -178.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.413 -0.812 . . . . 0.31 110.884 -174.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -125.29 113.32 17.45 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.08 -0.509 . . . . 1.8100000000000001 109.753 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 29.9 mt -114.21 158.18 21.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.714 -0.676 . . . . 0.59999999999999998 110.49 -176.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.679 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.5 m95 -120.68 118.98 31.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.717 -0.475 . . . . 0.34000000000000002 109.717 169.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.553 HD21 ' SD ' ' A' ' 554' ' ' MET . 49.9 tp -75.69 107.41 7.84 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.593 -0.521 . . . . 0.28999999999999998 109.593 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.569 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 61.9 mtt180 -110.7 151.97 27.09 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 116.11 -0.496 . . . . 3.3300000000000001 110.672 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.503 HG21 HG22 ' A' ' 509' ' ' ILE . 13.3 mm -103.41 125.65 57.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.005 -0.543 . . . . 0.51000000000000001 110.878 -175.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.434 ' HB2' ' CA ' ' A' ' 484' ' ' GLY . 6.2 mm-40 -79.27 -40.61 30.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.224 0.535 . . . . 1.52 110.246 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.434 ' CG ' ' HG2' ' A' ' 511' ' ' LYS . 8.7 t0 -143.15 97.52 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.432 -0.804 . . . . 0.70999999999999996 109.777 -175.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.503 HG22 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -73.78 -6.0 7.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.995 -0.548 . . . . 0.70999999999999996 112.157 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -91.56 -17.42 25.65 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.845 0.355 . . . . 3.1499999999999999 111.17 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . 0.434 ' HG2' ' CG ' ' A' ' 508' ' ' ASP . 26.4 mmtp -86.14 -10.34 54.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.284 0.564 . . . . 3.1899999999999999 110.468 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.423 HD11 HG23 ' A' ' 506' ' ' ILE . 47.1 mt -95.68 164.28 12.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.501 -0.772 . . . . 0.57999999999999996 109.953 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -98.0 -32.3 11.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.317 0.58 . . . . 3.2999999999999998 109.974 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -67.62 170.21 36.17 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.521 -0.763 . . . . 0.95999999999999996 113.26 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -90.93 118.69 30.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.838 0.351 . . . . 3.5299999999999998 110.294 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -139.43 176.67 8.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.796 0.331 . . . . 0.72999999999999998 110.305 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 519' ' ' ASN . 52.4 mtpt -118.7 154.43 32.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.787 -0.642 . . . . 1.98 110.103 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -78.94 37.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.982 0.896 . . . . 2.29 110.371 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.47 ' H ' ' C ' ' A' ' 517' ' ' LYS . 66.2 t30 179.42 42.32 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.249 -1.341 . . . . 2.5600000000000001 107.417 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . 0.412 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 8.9 tp10 -103.14 137.68 40.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.843 -1.071 . . . . 1.52 110.209 -172.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.569 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -145.6 137.74 25.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.441 0.638 . . . . 0.42999999999999999 111.158 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 545' ' ' TYR . 67.7 mt -119.5 102.89 13.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.937 -1.029 . . . . 0.39000000000000001 110.024 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.679 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.7 tt0 -71.52 130.65 41.8 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.957 -0.565 . . . . 0.59999999999999998 110.274 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -151.47 142.06 22.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.422 -0.354 . . . . 0.23999999999999999 110.308 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 11.8 t -83.18 145.63 29.08 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.342 -0.614 . . . . 1.24 109.342 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 30.0 t80 -130.19 118.34 21.27 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.476 -0.49 . . . . 0.27000000000000002 110.7 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -86.58 108.63 18.67 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.726 -0.842 . . . . 0.57999999999999996 108.726 172.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.04 -20.04 65.64 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.876 -0.602 . . . . 0.51000000000000001 112.041 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -97.26 -36.88 10.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.504 -0.316 . . . . 2.1800000000000002 111.425 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -99.58 -47.46 5.1 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.762 0.653 . . . . 4.0999999999999996 112.762 -175.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -73.69 146.79 44.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.493 0.663 . . . . 0.60999999999999999 112.567 -169.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 75.5 t -117.3 126.56 27.32 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 114.792 -1.095 . . . . 0.28000000000000003 109.189 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.446 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 48.8 Cg_exo -55.77 -38.79 93.96 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.404 2.736 . . . . 0.23999999999999999 113.033 -174.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.71 -36.81 81.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.03 0.443 . . . . 2.3399999999999999 110.584 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.615 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 0.1 OUTLIER -72.64 -35.07 67.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.752 -0.658 . . . . 1.0900000000000001 110.567 -179.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 93.4 t -68.19 -43.37 84.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.772 -0.649 . . . . 0.28000000000000003 110.335 176.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -63.29 -24.43 67.86 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.677 -0.409 . . . . 0.17000000000000001 110.386 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.2 mm100 -68.46 -49.67 58.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.438 -0.347 . . . . 1.0800000000000001 110.691 174.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 536' ' ' VAL . 12.8 pt-20 -66.2 -27.41 67.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.792 -0.447 . . . . 2.0699999999999998 109.792 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 52.9 mtt -59.59 -47.94 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.25 110.569 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 537' ' ' ALA . 66.0 t -64.43 -48.34 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.866 -0.606 . . . . 0.23999999999999999 110.718 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.42 -32.02 71.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.944 -0.571 . . . . 0.77000000000000002 111.878 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.3 m -87.22 2.74 49.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.816 0.341 . . . . 1.22 111.505 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 81.73 15.25 76.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.856 -0.688 . . . . 0.54000000000000004 113.19 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.541 ' HB3' HD13 ' A' ' 522' ' ' ILE . 52.7 m-85 -85.49 -52.52 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.091 0.472 . . . . 0.56000000000000005 110.41 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 69.2 t -112.32 151.47 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.519 -0.764 . . . . 0.17000000000000001 110.649 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 43.5 t -86.02 139.14 31.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.285 -0.635 . . . . 0.42999999999999999 109.285 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . 0.444 ' HB2' HG11 ' A' ' 541' ' ' VAL . 11.2 tp10 -60.45 -26.75 66.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.748 -0.66 . . . . 2.7200000000000002 111.396 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.26 -16.15 80.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.764 -0.732 . . . . 0.32000000000000001 112.616 177.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -113.15 15.35 19.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.164 0.507 . . . . 1.23 110.122 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -58.5 -46.16 87.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.456 -0.793 . . . . 0.23999999999999999 110.995 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -57.68 -46.33 84.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 2.8999999999999999 110.924 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 37.4 m -58.59 -43.01 89.37 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.348 -0.842 . . . . 0.34999999999999998 111.317 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.587 ' O ' HG13 ' A' ' 558' ' ' ILE . 23.0 mmt -70.73 -46.88 62.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.344 -0.389 . . . . 0.14000000000000001 110.923 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.0 80.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.17000000000000001 110.89 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 6.9 tmtm? -64.87 -43.39 93.11 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.196 -0.668 . . . . 1.8300000000000001 109.196 176.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.566 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -57.58 -46.04 84.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.17999999999999999 110.381 176.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 554' ' ' MET . 62.2 mt -60.91 -49.03 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.203 -0.908 . . . . 0.17999999999999999 109.991 177.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -62.97 -39.72 95.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.818 -0.628 . . . . 2.2000000000000002 111.009 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -59.7 -44.81 93.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.849 0.357 . . . . 1.03 110.221 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 561' ' ' ARG . 8.3 tpt180 -69.62 -46.74 65.53 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.087 -0.506 . . . . 1.5700000000000001 110.473 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 558' ' ' ILE . 99.5 t -62.07 -36.53 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.23999999999999999 111.291 -177.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 14.3 t -62.33 -40.71 97.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.148 0.499 . . . . 0.83999999999999997 110.094 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 90.9 mt -67.86 -41.38 82.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.719 . . . . 1.7 110.513 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.518 HD13 ' CD1' ' A' ' 500' ' ' ILE . 94.9 mt -63.72 -45.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.197 -0.911 . . . . 0.57999999999999996 111.144 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 88.1 mttt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.88 111.664 -179.698 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 111.368 -0.693 . . . . 0.57999999999999996 111.368 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.545 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -151.74 155.26 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 C-N-CA 123.353 0.661 . . . . 0.35999999999999999 110.083 -175.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.405 ' HD2' ' H ' ' A' ' 487' ' ' VAL . 26.1 tpt180 -155.37 138.39 15.48 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.286 0.565 . . . . 2.96 110.968 176.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 59.9 t -114.6 126.92 72.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.264 -0.88 . . . . 0.23000000000000001 110.573 -175.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -128.7 152.04 48.85 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.428 -0.805 . . . . 2.0099999999999998 111.226 -174.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.57 HD23 ' CD1' ' A' ' 502' ' ' LEU . 46.2 mt -72.89 139.89 47.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.669 -0.696 . . . . 0.37 110.123 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.453 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -82.04 -23.87 35.64 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.379 0.609 . . . . 0.42999999999999999 109.661 174.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 -169.93 2.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.286 -0.87 . . . . 2.02 110.535 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.98 108.95 20.03 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.912 -0.586 . . . . 2.3599999999999999 110.594 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . 0.496 ' HB3' HD13 ' A' ' 489' ' ' LEU . 22.4 t70 . . . . . 0 C--N 1.321 -0.65 0 C-N-CA 120.57 -0.452 . . . . 1.3700000000000001 111.364 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 32.7 mm . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 121.213 0.53 . . . . 0.68000000000000005 109.816 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -131.86 118.05 19.33 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.346 0.593 . . . . 0.45000000000000001 110.826 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.578 ' CD1' HD13 ' A' ' 565' ' ' ILE . 11.1 pt -117.82 -171.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.109 -0.95 . . . . 0.31 110.277 -175.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 7.8 ttpm? -141.74 108.37 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.885 0.374 . . . . 1.8100000000000001 111.087 179.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.57 ' CD1' HD23 ' A' ' 489' ' ' LEU . 1.9 mm? -95.63 167.21 11.43 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.321 0.582 . . . . 0.59999999999999998 111.661 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.727 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.4 m95 -123.19 120.68 33.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.028 -0.987 . . . . 0.34000000000000002 109.286 165.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.566 ' HB3' ' HB ' ' A' ' 522' ' ' ILE . 50.9 tp -83.09 104.31 13.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.444 -0.344 . . . . 0.28999999999999998 110.49 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.445 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 41.3 mtm105 -90.17 132.36 35.51 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.26 -0.427 . . . . 3.3300000000000001 110.469 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.605 HG21 HG22 ' A' ' 509' ' ' ILE . 16.6 mm -87.73 113.64 25.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.428 -0.582 . . . . 0.51000000000000001 109.428 175.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.11 -54.1 5.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.13 -0.486 . . . . 1.52 111.047 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -129.25 99.74 5.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.947 -0.569 . . . . 0.70999999999999996 110.27 -175.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.605 HG22 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -75.26 -10.34 13.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.519 -0.764 . . . . 0.70999999999999996 111.838 -176.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -81.87 -14.57 56.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.185 -0.461 . . . . 3.1499999999999999 110.817 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -27.57 27.15 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.437 0.637 . . . . 3.1899999999999999 109.399 177.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 41.7 mt -87.35 156.88 19.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.357 -0.838 . . . . 0.57999999999999996 110.105 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -99.09 -11.45 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.313 -0.403 . . . . 3.2999999999999998 110.854 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -80.52 -162.68 27.55 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.044 -0.598 . . . . 0.95999999999999996 112.449 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 515' ' ' LYS . 0.2 OUTLIER -116.9 102.7 9.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.553 -0.536 . . . . 3.5299999999999998 109.553 178.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -130.91 173.59 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 0.72999999999999998 111.366 -174.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 519' ' ' ASN . 81.5 mttt -115.24 137.62 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.314 -0.857 . . . . 1.98 108.954 176.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -79.12 35.96 0.27 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.746 0.784 . . . . 2.29 111.246 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 517' ' ' LYS . 8.5 p30 -161.68 25.5 0.12 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.897 -1.047 . . . . 2.5600000000000001 109.646 178.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -102.69 141.85 34.81 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.956 -0.566 . . . . 1.52 110.286 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -132.4 124.03 27.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.605 -0.725 . . . . 0.42999999999999999 110.531 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.601 HD13 ' HB3' ' A' ' 545' ' ' TYR . 97.4 mt -102.63 105.29 17.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.102 -0.954 . . . . 0.39000000000000001 110.738 -177.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.727 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 20.6 tt0 -74.78 126.1 30.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.957 -0.565 . . . . 0.59999999999999998 110.876 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . 0.456 ' CD2' HG11 ' A' ' 536' ' ' VAL . 43.7 p90 -145.97 141.95 28.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.764 0.316 . . . . 0.23999999999999999 110.412 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 62.8 p -84.81 143.54 29.03 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.736 -0.468 . . . . 1.24 109.736 177.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . 0.485 ' CD1' HD23 ' A' ' 528' ' ' LEU . 19.6 t80 -126.82 112.7 15.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.172 -0.611 . . . . 0.27000000000000002 110.571 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 531' ' ' ASP . 9.4 t70 -84.94 108.2 17.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.502 -0.925 . . . . 0.57999999999999996 108.502 172.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.485 HD23 ' CD1' ' A' ' 526' ' ' PHE . 63.8 mt -67.67 -9.74 46.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.161 -0.472 . . . . 0.51000000000000001 112.137 -172.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -106.96 -42.4 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.794 0.331 . . . . 2.1800000000000002 110.965 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -89.63 -51.86 5.3 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.0 0.371 . . . . 4.0999999999999996 112.0 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 4.1 m-20 -70.01 156.21 39.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.738 0.78 . . . . 0.60999999999999999 112.0 -173.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 76.4 t -131.11 137.79 31.47 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 114.671 -1.149 . . . . 0.28000000000000003 108.88 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -53.03 -49.46 17.51 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.213 1.942 . . . . 0.23999999999999999 112.161 -176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.33 -30.62 71.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.853 -0.612 . . . . 2.3399999999999999 111.363 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 26.8 t70 -70.12 -46.53 64.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.149 0.5 . . . . 1.0900000000000001 110.04 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 524' ' ' PHE . 93.8 t -60.34 -42.32 90.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.28000000000000003 110.238 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.35 -27.77 69.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.17000000000000001 110.823 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.493 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 7.8 mm100 -69.46 -45.78 68.26 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 110.067 -0.346 . . . . 1.0800000000000001 110.067 174.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 50.7 mm-40 -57.88 -40.59 80.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.257 0.551 . . . . 2.0699999999999998 109.734 175.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.441 ' HB3' HG23 ' A' ' 546' ' ' VAL . 54.0 mtt -55.4 -41.59 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.268 -0.878 . . . . 0.25 110.925 177.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.648 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 65.1 t -67.08 -50.97 58.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.897 -0.592 . . . . 0.23999999999999999 110.849 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.77 -28.25 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.77000000000000002 111.673 -177.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . 0.449 ' HB2' ' CD2' ' A' ' 545' ' ' TYR . 17.6 m -84.59 -14.45 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.809 0.338 . . . . 1.22 111.239 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.53 7.74 56.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.54000000000000004 113.078 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.601 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.7 m-85 -78.8 -52.0 8.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.124 0.488 . . . . 0.56000000000000005 110.376 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 95.4 t -116.61 151.75 18.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.438 -0.801 . . . . 0.17000000000000001 110.642 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.85 143.09 26.61 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.685 -0.857 . . . . 0.42999999999999999 108.685 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . 0.435 ' HB3' HG11 ' A' ' 541' ' ' VAL . 12.3 pt-20 -64.0 -14.4 53.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 2.7200000000000002 112.184 -173.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -81.05 -18.42 69.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.32000000000000001 112.286 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -113.93 22.32 14.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.55 0.69 . . . . 1.23 109.778 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . 0.493 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 16.6 t-80 -61.31 -50.78 71.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.128 -0.942 . . . . 0.23999999999999999 111.895 -175.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -68.6 -30.62 69.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.61 0.243 . . . . 2.8999999999999999 111.143 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 84.3 m -59.41 -48.61 80.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.965 -0.561 . . . . 0.34999999999999998 110.772 177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.568 ' O ' HG13 ' A' ' 558' ' ' ILE . 25.3 mmt -66.0 -44.2 85.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.665 -0.698 . . . . 0.14000000000000001 110.59 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.58 73.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.596 -0.729 . . . . 0.17000000000000001 111.278 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -65.64 -41.95 92.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.942 0.401 . . . . 1.8300000000000001 109.954 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.545 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.97 -44.81 96.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.776 -0.647 . . . . 0.17999999999999999 110.297 176.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 554' ' ' MET . 57.0 mt -63.03 -49.38 83.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.314 -0.857 . . . . 0.17999999999999999 110.314 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -64.51 -33.33 75.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.915 -0.584 . . . . 2.2000000000000002 111.022 -175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.5 -44.84 93.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 1.03 110.846 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' A' ' 565' ' ' ILE . 13.0 tpt180 -68.58 -45.16 72.79 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.172 -0.467 . . . . 1.5700000000000001 109.87 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 558' ' ' ILE . 76.0 t -61.92 -33.66 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.508 -0.769 . . . . 0.23999999999999999 111.373 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 13.3 t -61.95 -43.81 98.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.961 0.41 . . . . 0.83999999999999997 110.516 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.33 -43.49 85.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.331 0.586 . . . . 1.7 110.006 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.578 HD13 ' CD1' ' A' ' 500' ' ' ILE . 84.7 mt -60.36 -47.92 90.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.04 -0.982 . . . . 0.57999999999999996 111.701 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.944 -0.571 . . . . 0.88 111.526 -179.846 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.566 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.388 0 CA-C-O 120.244 -0.198 . . . . 0.57999999999999996 113.489 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.603 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -156.91 158.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 122.501 0.32 . . . . 0.35999999999999999 110.583 178.698 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -164.37 139.1 5.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.798 -0.637 . . . . 2.96 110.016 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.588 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 49.2 t -111.92 144.97 18.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.188 -0.46 . . . . 0.23000000000000001 110.863 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -133.74 165.13 25.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.963 -0.562 . . . . 2.0099999999999998 110.876 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.56 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 93.8 mt -85.5 129.04 34.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.466 -0.788 . . . . 0.37 110.855 -178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -76.67 -13.57 60.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.743 0.782 . . . . 0.42999999999999999 109.961 174.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.56 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 11.1 pt-20 -139.29 163.33 32.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.456 -1.247 . . . . 2.02 108.569 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -81.57 115.41 20.85 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.542 -0.54 . . . . 2.3599999999999999 109.542 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.181 -0.463 . . . . 1.3700000000000001 110.992 -176.867 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 33.0 mm . . . . . 0 CA--C 1.514 -0.419 0 CA-C-O 121.347 0.594 . . . . 0.68000000000000005 110.413 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -107.77 123.76 49.03 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.451 -0.795 . . . . 0.45000000000000001 110.644 -178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 16.5 pt -120.48 -176.41 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.31 111.038 -175.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 490' ' ' ALA . 11.3 tptm -125.37 114.93 19.53 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.084 -0.507 . . . . 1.8100000000000001 109.665 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.588 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 48.0 mt -115.45 156.72 25.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.985 -0.552 . . . . 0.59999999999999998 111.089 -176.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.684 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.4 m95 -121.94 124.03 43.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.894 -0.409 . . . . 0.34000000000000002 109.894 170.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 56.7 tp -83.51 96.24 8.54 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.074 0.464 . . . . 0.28999999999999998 110.328 176.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -87.65 119.73 28.26 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.537 -0.756 . . . . 3.3300000000000001 110.55 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.492 HG21 HG22 ' A' ' 509' ' ' ILE . 12.7 mm -79.96 124.69 38.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.752 -0.658 . . . . 0.51000000000000001 110.087 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.566 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 18.5 mm-40 -92.73 -45.3 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.071 -0.513 . . . . 1.52 111.836 -175.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -137.29 96.45 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.283 0.563 . . . . 0.70999999999999996 110.557 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.492 HG22 HG21 ' A' ' 506' ' ' ILE . 2.7 pp -75.98 -13.11 14.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.664 -0.698 . . . . 0.70999999999999996 112.022 -177.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -75.35 -17.63 60.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.874 0.369 . . . . 3.1499999999999999 110.837 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 4.8 mmmp? -85.07 -18.84 33.08 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.113 0.482 . . . . 3.1899999999999999 111.116 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 19.1 mt -91.49 149.79 21.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.738 -0.664 . . . . 0.57999999999999996 110.917 -173.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -107.54 54.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.272 0.558 . . . . 3.2999999999999998 110.558 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.21 -171.85 26.66 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.706 -0.679 . . . . 0.95999999999999996 111.516 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -92.4 103.77 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.09 0.471 . . . . 3.5299999999999998 110.762 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -135.76 170.19 16.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.72999999999999998 110.055 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 519' ' ' ASN . 49.5 mtmt -125.69 151.47 46.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.001 -0.545 . . . . 1.98 109.804 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -80.73 31.5 0.3 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.536 0.684 . . . . 2.29 111.218 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 517' ' ' LYS . 26.9 p-10 -159.97 23.78 0.17 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.031 -0.986 . . . . 2.5600000000000001 109.746 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.0 140.13 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.665 . . . . 1.52 110.534 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.634 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -143.14 113.3 7.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.578 -0.737 . . . . 0.42999999999999999 110.285 177.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.536 HD13 ' HB3' ' A' ' 545' ' ' TYR . 68.3 mt -92.79 105.17 16.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 114.748 -1.114 . . . . 0.39000000000000001 110.858 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.1 tt0 -73.43 126.43 30.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.948 -0.569 . . . . 0.59999999999999998 110.428 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . 0.474 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 47.6 p90 -144.43 143.97 31.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.839 0.352 . . . . 0.23999999999999999 110.437 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.5 p -86.67 136.46 33.02 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.823 -0.436 . . . . 1.24 109.823 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . 0.445 ' CD2' HD23 ' A' ' 528' ' ' LEU . 31.9 t80 -125.81 116.43 21.57 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.529 -0.469 . . . . 0.27000000000000002 111.156 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.31 106.08 13.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.077 -1.083 . . . . 0.57999999999999996 108.077 170.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.445 HD23 ' CD2' ' A' ' 526' ' ' PHE . 78.7 mt -62.32 -15.44 48.05 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.035 0.754 . . . . 0.51000000000000001 113.035 -170.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -106.84 -43.83 4.58 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.964 -0.294 . . . . 2.1800000000000002 111.429 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -81.57 -52.0 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.831 0.308 . . . . 4.0999999999999996 111.831 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -75.28 146.51 40.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.448 0.642 . . . . 0.60999999999999999 111.61 -171.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 73.3 t -116.82 137.83 24.1 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.018 -0.992 . . . . 0.28000000000000003 109.316 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -51.03 -46.61 29.94 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.801 2.334 . . . . 0.23999999999999999 112.077 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -61.42 -36.77 81.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.911 -0.586 . . . . 2.3399999999999999 111.202 176.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.84 -46.37 75.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.285 0.564 . . . . 1.0900000000000001 110.127 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.11 -40.14 87.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.253 -0.885 . . . . 0.28000000000000003 111.071 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.87 -28.27 69.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.539 -0.301 . . . . 0.17000000000000001 110.782 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -68.85 -41.02 79.04 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.211 -0.292 . . . . 1.0800000000000001 110.211 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -58.91 -43.47 91.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.197 -0.668 . . . . 2.0699999999999998 109.197 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.448 ' HB3' HG23 ' A' ' 546' ' ' VAL . 56.1 mtt -55.45 -45.35 76.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.097 -0.956 . . . . 0.25 111.089 176.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 537' ' ' ALA . 98.7 t -63.16 -50.87 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.483 -0.78 . . . . 0.23999999999999999 111.007 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.5 -36.35 83.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.77000000000000002 111.548 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 32.2 m -72.94 -16.92 61.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.428 -0.351 . . . . 1.22 111.527 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 99.22 14.4 36.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.548 -0.834 . . . . 0.54000000000000004 112.971 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.536 ' HB3' HD13 ' A' ' 522' ' ' ILE . 63.9 m-85 -86.88 -46.94 9.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.302 0.572 . . . . 0.56000000000000005 110.481 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 94.1 t -118.58 146.64 22.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.186 -0.915 . . . . 0.17000000000000001 110.56 -173.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.433 ' O ' HG12 ' A' ' 546' ' ' VAL . 42.4 t -82.78 140.46 32.98 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.253 -1.017 . . . . 0.42999999999999999 108.253 172.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . 0.462 ' HB2' HG11 ' A' ' 541' ' ' VAL . 40.4 tt0 -63.27 -17.53 62.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.379 . . . . 2.7200000000000002 111.502 -172.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.17 -13.26 82.22 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.725 -0.75 . . . . 0.32000000000000001 112.381 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -106.06 12.58 30.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.718 -0.475 . . . . 1.23 109.718 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -53.82 -49.75 67.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.242 -0.89 . . . . 0.23999999999999999 111.637 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -63.93 -39.74 94.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.687 -0.233 . . . . 2.8999999999999999 111.156 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 26.5 m -60.61 -45.25 94.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.037 0.446 . . . . 0.34999999999999998 110.944 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.568 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.8 mmt -69.93 -44.94 68.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.863 -0.608 . . . . 0.14000000000000001 110.664 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.61 78.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.589 -0.732 . . . . 0.17000000000000001 110.375 177.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -67.45 -36.99 82.27 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.677 -0.692 . . . . 1.8300000000000001 110.605 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.603 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -63.24 -46.44 86.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.44 0.638 . . . . 0.17999999999999999 110.321 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 562' ' ' VAL . 76.9 mt -61.01 -50.09 82.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.082 -0.963 . . . . 0.17999999999999999 110.371 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -64.86 -29.61 70.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.544 . . . . 2.2000000000000002 110.381 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 557' ' ' ALA . 21.1 t70 -59.63 -59.0 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 1.03 110.486 176.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 561' ' ' ARG . 18.3 tpt180 -64.34 -43.74 93.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.666 -0.243 . . . . 1.5700000000000001 111.343 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 558' ' ' ILE . 84.8 t -60.48 -33.45 54.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.334 -0.394 . . . . 0.23999999999999999 111.352 -177.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 27.2 t -57.33 -55.49 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.125 -0.324 . . . . 0.83999999999999997 110.125 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.403 ' H ' HD12 ' A' ' 564' ' ' LEU . 8.0 mp -53.47 -45.09 69.42 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 121.059 0.457 . . . . 1.7 111.564 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.16 -51.21 75.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.626 -0.716 . . . . 0.57999999999999996 111.174 -178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.154 -0.475 . . . . 0.88 110.992 178.797 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 -0.086 0 N-CA-C 112.745 -0.142 . . . . 0.57999999999999996 112.745 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.511 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -154.8 165.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 122.947 0.499 . . . . 0.35999999999999999 110.475 -178.673 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.515 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 16.2 tpp180 -169.47 138.02 1.9 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.608 -0.723 . . . . 2.96 109.544 176.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 44.4 t -107.77 139.96 27.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-O 121.07 0.462 . . . . 0.23000000000000001 111.47 -176.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -124.67 155.04 39.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.539 -0.755 . . . . 2.0099999999999998 110.39 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.592 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 76.5 mt -79.14 127.41 31.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.69 . . . . 0.37 110.03 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.565 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -72.42 -22.98 61.02 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.838 -0.801 . . . . 0.42999999999999999 108.838 172.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 15.3 pt-20 -140.66 139.53 34.82 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.164 -1.38 . . . . 2.02 108.064 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -72.71 130.5 40.66 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.221 0.534 . . . . 2.3599999999999999 111.46 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . 0.411 ' H ' HD13 ' A' ' 489' ' ' LEU . 6.1 t0 . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.608 -0.724 . . . . 1.3700000000000001 111.071 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 27.5 mm . . . . . 0 CA--C 1.505 -0.768 0 CA-C-O 121.635 0.731 . . . . 0.68000000000000005 109.157 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -108.98 120.15 41.69 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.902 -1.044 . . . . 0.45000000000000001 110.146 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.0 pt -120.27 176.79 3.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.441 -0.8 . . . . 0.31 111.675 -171.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 490' ' ' ALA . 14.1 tppt? -119.36 116.72 26.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.121 -0.945 . . . . 1.8100000000000001 109.455 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.561 HD23 HD23 ' A' ' 489' ' ' LEU . 36.2 mt -117.12 153.17 33.25 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.459 -0.337 . . . . 0.59999999999999998 110.823 -178.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.674 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.4 m95 -119.18 123.34 44.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.676 -0.49 . . . . 0.34000000000000002 109.676 169.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.576 HD21 ' SD ' ' A' ' 554' ' ' MET . 53.3 tp -77.97 102.64 7.47 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.03 -0.532 . . . . 0.28999999999999998 109.923 175.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -87.84 126.32 34.96 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.955 -0.566 . . . . 3.3300000000000001 110.237 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.483 HG21 HG22 ' A' ' 509' ' ' ILE . 25.5 mm -90.49 115.51 29.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.083 -0.508 . . . . 0.51000000000000001 109.808 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -88.84 -50.59 6.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.823 -0.626 . . . . 1.52 111.608 -173.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -135.03 101.15 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.111 -0.495 . . . . 0.70999999999999996 109.823 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.483 HG22 HG21 ' A' ' 506' ' ' ILE . 2.1 pp -75.29 -11.26 14.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 0.70999999999999996 111.919 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -80.56 -9.32 59.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.465 0.65 . . . . 3.1499999999999999 110.109 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -89.96 -15.33 32.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.408 -0.815 . . . . 3.1899999999999999 109.2 175.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 32.1 mt -100.26 166.03 11.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.391 -0.822 . . . . 0.57999999999999996 111.103 -174.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -114.93 48.91 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.968 0.413 . . . . 3.2999999999999998 110.796 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.71 -169.37 23.89 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.828 -0.701 . . . . 0.95999999999999996 111.855 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -97.9 110.16 22.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.07 0.462 . . . . 3.5299999999999998 110.294 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . 0.474 ' HB2' ' CG2' ' A' ' 509' ' ' ILE . 34.1 m-85 -138.54 167.28 22.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.685 -0.689 . . . . 0.72999999999999998 109.566 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 519' ' ' ASN . 53.0 mtmt -111.91 143.79 42.3 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.369 -0.604 . . . . 1.98 109.369 173.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -78.68 36.6 0.27 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.244 0.545 . . . . 2.29 111.656 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 517' ' ' LYS . 67.0 t30 -167.18 28.25 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.199 -0.91 . . . . 2.5600000000000001 108.653 176.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.61 146.83 25.56 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.222 -0.899 . . . . 1.52 109.576 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -141.87 121.8 13.63 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.341 0.591 . . . . 0.42999999999999999 110.336 177.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.55 HD13 ' HB3' ' A' ' 545' ' ' TYR . 87.0 mt -103.19 106.24 19.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 114.989 -1.005 . . . . 0.39000000000000001 110.376 -177.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.674 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 19.3 tt0 -72.39 129.28 38.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.881 -0.599 . . . . 0.59999999999999998 110.539 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . 0.439 ' CD2' HG11 ' A' ' 536' ' ' VAL . 45.4 p90 -147.41 151.24 36.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 0.23999999999999999 110.082 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 7.1 m -92.29 144.26 25.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.42 -0.585 . . . . 1.24 109.42 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -135.38 115.22 12.98 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.029 -0.668 . . . . 0.27000000000000002 111.067 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.25 110.68 18.74 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.582 -0.896 . . . . 0.57999999999999996 108.582 171.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.94 -1.46 7.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.896 -0.593 . . . . 0.51000000000000001 112.372 -173.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -113.11 -23.73 9.84 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.277 -0.169 . . . . 2.1800000000000002 111.288 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -114.44 -49.92 2.81 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.752 0.649 . . . . 4.0999999999999996 112.752 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.72 151.9 46.53 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.529 0.68 . . . . 0.60999999999999999 112.546 -170.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 97.8 t -121.78 126.84 26.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 114.832 -1.076 . . . . 0.28000000000000003 109.181 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.434 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 64.2 Cg_exo -53.87 -41.21 76.61 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.544 2.829 . . . . 0.23999999999999999 113.855 -176.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.84 -26.16 61.37 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.779 -0.368 . . . . 2.3399999999999999 111.297 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.92 -42.12 67.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.322 0.582 . . . . 1.0900000000000001 109.585 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.439 HG11 ' CD2' ' A' ' 524' ' ' PHE . 89.6 t -64.49 -41.71 93.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.568 -0.742 . . . . 0.28000000000000003 110.532 176.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.48 -19.69 66.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.714 -0.395 . . . . 0.17000000000000001 110.612 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 0.0 OUTLIER -73.61 -47.73 38.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.37 -0.377 . . . . 1.0800000000000001 110.494 175.383 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 536' ' ' VAL . 11.3 pt-20 -66.37 -27.19 67.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.065 0.46 . . . . 2.0699999999999998 109.884 178.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.433 ' HB3' HG23 ' A' ' 546' ' ' VAL . 53.1 mtt -58.16 -44.52 87.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.422 -0.808 . . . . 0.25 110.422 171.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 537' ' ' ALA . 69.6 t -70.04 -45.66 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.772 -0.649 . . . . 0.23999999999999999 110.699 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 56.9 mt-10 -59.79 -36.51 76.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.77000000000000002 111.298 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.8 m -85.18 1.09 49.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.388 -0.369 . . . . 1.22 111.499 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 87.4 -5.61 84.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.764 . . . . 0.54000000000000004 113.407 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.55 ' HB3' HD13 ' A' ' 522' ' ' ILE . 52.2 m-85 -63.36 -56.1 19.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.035 0.445 . . . . 0.56000000000000005 110.8 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 93.4 t -107.06 144.42 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.556 -0.747 . . . . 0.17000000000000001 110.789 -176.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.403 ' O ' HG12 ' A' ' 546' ' ' VAL . 35.5 t -76.57 143.85 40.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.495 -0.775 . . . . 0.42999999999999999 109.287 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -6.81 8.22 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.542 0.571 . . . . 2.7200000000000002 112.542 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -91.07 -11.41 61.44 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.013 -0.613 . . . . 0.32000000000000001 112.702 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 554' ' ' MET . 53.1 m-20 -115.52 19.18 15.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.883 0.373 . . . . 1.23 110.818 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -54.63 -54.08 46.3 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.834 -0.621 . . . . 0.23999999999999999 111.915 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -73.19 -29.75 63.05 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.093 -0.243 . . . . 2.8999999999999999 111.281 -175.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 99.2 m -61.71 -45.08 95.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.377 -0.374 . . . . 0.34999999999999998 110.658 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.576 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.5 mmt -68.14 -43.34 78.52 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.181 0.515 . . . . 0.14000000000000001 110.477 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.03 -35.2 77.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.381 -0.827 . . . . 0.17000000000000001 111.182 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . 0.552 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 2.6 tmtp? -65.39 -41.49 93.63 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.998 -0.741 . . . . 1.8300000000000001 108.998 178.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.511 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.7 -43.19 89.97 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.243 0.544 . . . . 0.17999999999999999 110.251 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 562' ' ' VAL . 62.9 mt -63.77 -50.72 76.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.219 -0.901 . . . . 0.17999999999999999 109.988 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -61.07 -40.01 92.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.724 . . . . 2.2000000000000002 110.843 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.57 -43.95 95.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 1.03 110.301 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -66.41 -48.5 69.86 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.131 -0.486 . . . . 1.5700000000000001 110.484 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 558' ' ' ILE . 91.8 t -59.78 -37.65 72.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.23999999999999999 111.248 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 23.0 t -59.67 -50.26 74.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.022 -0.362 . . . . 0.83999999999999997 110.022 177.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.05 -43.08 99.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 1.7 110.599 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.47 -54.48 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.574 -0.739 . . . . 0.57999999999999996 111.096 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.88 111.579 -178.023 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.407 ' C ' ' HB3' ' A' ' 507' ' ' GLU . . . . . . . . 0 CA--C 1.517 0.213 0 N-CA-C 113.564 0.185 . . . . 0.57999999999999996 113.564 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.638 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -154.18 163.48 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.633 0.254 . . . . 0.35999999999999999 110.67 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 487' ' ' VAL . 16.6 tpp85 -166.51 125.38 1.48 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 2.96 110.676 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.511 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 57.6 t -87.64 143.21 11.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.285 -0.87 . . . . 0.23000000000000001 110.567 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -120.28 160.49 22.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.991 0.424 . . . . 2.0099999999999998 110.7 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 502' ' ' LEU . 74.9 mt -83.77 131.1 34.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.437 -0.801 . . . . 0.37 110.082 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.6 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -74.66 -22.86 58.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.952 0.882 . . . . 0.42999999999999999 109.087 172.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -122.44 -171.23 2.23 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.06 -1.427 . . . . 2.02 108.629 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -110.13 133.37 53.28 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.926 -0.398 . . . . 2.3599999999999999 109.926 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 16.8 t70 . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 116.37 -0.377 . . . . 1.3700000000000001 110.544 178.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 22.2 mm . . . . . 0 N--CA 1.444 -0.762 0 CA-C-O 120.798 0.332 . . . . 0.68000000000000005 110.437 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -131.07 123.14 28.02 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.215 0.531 . . . . 0.45000000000000001 110.808 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.413 ' CD1' HD13 ' A' ' 565' ' ' ILE . 15.6 pt -125.01 179.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.725 -0.671 . . . . 0.31 111.559 -172.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -120.78 116.31 24.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.615 -0.72 . . . . 1.8100000000000001 109.793 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 489' ' ' LEU . 58.7 mt -112.88 159.47 19.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.887 -0.597 . . . . 0.59999999999999998 111.285 -176.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.732 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.2 m95 -126.45 120.06 28.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.79 -0.448 . . . . 0.34000000000000002 109.79 169.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 46.0 tp -75.3 99.74 4.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.271 -0.422 . . . . 0.28999999999999998 110.357 177.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.499 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 48.7 mtp180 -93.51 126.92 38.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.841 -0.618 . . . . 3.3300000000000001 110.852 177.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.525 ' HA ' HG12 ' A' ' 485' ' ' VAL . 20.2 mm -79.65 119.17 28.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.662 -0.496 . . . . 0.51000000000000001 109.662 177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.52 ' H ' ' HA ' ' A' ' 485' ' ' VAL . 18.2 tp10 -81.59 -48.69 11.44 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.542 -0.754 . . . . 1.52 110.238 -176.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . 0.486 ' OD1' ' HG3' ' A' ' 510' ' ' LYS . 11.8 t70 -130.96 108.49 9.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.21 -0.45 . . . . 0.70999999999999996 110.057 175.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.462 HG22 HG21 ' A' ' 506' ' ' ILE . 2.8 pp -75.6 -20.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.048 0.758 . . . . 0.70999999999999996 113.048 -174.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . 0.486 ' HG3' ' OD1' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -91.76 -15.45 28.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 3.1499999999999999 111.368 -174.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -70.76 -21.9 62.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.293 0.568 . . . . 3.1899999999999999 110.094 170.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.522 HD11 HG23 ' A' ' 506' ' ' ILE . 22.4 mt -85.43 160.62 19.7 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.249 -0.887 . . . . 0.57999999999999996 109.761 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -92.8 -15.33 26.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.365 0.602 . . . . 3.2999999999999998 109.466 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -87.54 -179.57 47.94 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 114.882 -1.053 . . . . 0.95999999999999996 112.055 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -108.94 109.75 20.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.833 0.349 . . . . 3.5299999999999998 110.245 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . 0.591 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 87.9 m-85 -132.48 156.71 46.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.894 0.378 . . . . 0.72999999999999998 110.54 -177.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -91.76 149.73 21.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.54 -0.754 . . . . 1.98 109.803 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -81.83 34.0 0.39 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.457 0.646 . . . . 2.29 111.975 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -161.07 24.29 0.13 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.05 -0.977 . . . . 2.5600000000000001 108.775 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . 0.468 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 7.1 tp10 -82.46 130.29 35.08 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.121 -0.945 . . . . 1.52 110.017 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -136.52 118.43 15.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.769 -0.65 . . . . 0.42999999999999999 110.711 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 545' ' ' TYR . 86.4 mt -101.1 107.21 20.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.247 -0.888 . . . . 0.39000000000000001 110.807 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.732 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 29.6 tt0 -71.3 132.31 44.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.004 0.431 . . . . 0.59999999999999998 111.055 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . 0.403 ' CD2' HG11 ' A' ' 536' ' ' VAL . 44.9 p90 -151.69 139.92 20.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.734 -0.666 . . . . 0.23999999999999999 109.651 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 10.0 p -83.48 143.62 30.11 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.57 -0.53 . . . . 1.24 109.57 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . 0.415 ' HD1' HD23 ' A' ' 528' ' ' LEU . 25.2 t80 -134.22 117.61 16.68 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.007 -0.677 . . . . 0.27000000000000002 111.314 -175.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.58 113.51 21.87 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.378 -0.971 . . . . 0.57999999999999996 108.378 170.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.415 HD23 ' HD1' ' A' ' 526' ' ' PHE . 58.4 mt -67.92 -10.66 55.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.932 -0.576 . . . . 0.51000000000000001 111.879 -172.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -103.42 -46.73 4.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.9 0.381 . . . . 2.1800000000000002 110.6 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -86.26 -54.08 4.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.581 0.586 . . . . 4.0999999999999996 112.581 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -67.19 147.32 53.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.446 0.641 . . . . 0.60999999999999999 112.052 -171.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 99.1 t -122.72 131.63 24.35 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.032 -0.985 . . . . 0.28000000000000003 109.196 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.403 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 84.7 Cg_exo -51.35 -37.47 60.76 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.855 3.037 . . . . 0.23999999999999999 113.685 -176.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.14 -33.54 61.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.583 0.23 . . . . 2.3399999999999999 111.286 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -66.09 -45.09 82.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.053 0.454 . . . . 1.0900000000000001 110.058 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.403 HG11 ' CD2' ' A' ' 524' ' ' PHE . 93.3 t -61.39 -42.06 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.56 -0.746 . . . . 0.28000000000000003 110.937 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.66 -24.33 67.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.17000000000000001 110.989 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.452 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 8.2 mm100 -70.14 -43.88 70.03 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.844 0.354 . . . . 1.0800000000000001 110.192 174.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -59.47 -39.74 84.66 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.497 0.665 . . . . 2.0699999999999998 109.491 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.452 ' HB3' HG23 ' A' ' 546' ' ' VAL . 55.1 mtt -58.26 -41.93 85.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.851 -1.068 . . . . 0.25 111.393 177.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 537' ' ' ALA . 92.9 t -67.91 -42.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.891 -0.595 . . . . 0.23999999999999999 111.064 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.78 -45.24 93.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.77000000000000002 111.538 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 41.4 t -67.75 -22.23 65.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 1.22 111.112 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 106.9 -3.5 35.89 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.629 -0.796 . . . . 0.54000000000000004 112.464 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.574 ' HB3' HD13 ' A' ' 522' ' ' ILE . 53.2 m-85 -64.63 -61.85 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.458 . . . . 0.56000000000000005 110.957 178.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 94.3 t -103.0 142.38 17.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.937 -0.574 . . . . 0.17000000000000001 111.369 -174.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.66 138.87 37.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.16 -0.927 . . . . 0.42999999999999999 108.855 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . 0.57 ' CD ' ' H ' ' A' ' 548' ' ' GLU . 0.3 OUTLIER -67.65 -7.1 23.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.098 -0.501 . . . . 2.7200000000000002 111.342 -177.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.92 -12.45 82.65 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.939 -0.648 . . . . 0.32000000000000001 111.84 174.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -129.38 28.71 5.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.004 0.43 . . . . 1.23 110.889 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . 0.452 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 21.1 t-80 -58.39 -47.28 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.23999999999999999 109.935 176.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -65.57 -35.05 79.71 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.528 -0.76 . . . . 2.8999999999999999 110.939 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 512' ' ' LEU . 8.8 m -61.77 -49.22 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.34999999999999998 110.854 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.577 ' O ' HG13 ' A' ' 558' ' ' ILE . 23.1 mmt -67.92 -42.4 81.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.858 -0.61 . . . . 0.14000000000000001 110.756 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.4 74.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.844 -0.616 . . . . 0.17000000000000001 110.307 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -66.96 -35.8 80.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.887 -0.597 . . . . 1.8300000000000001 110.339 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.638 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -66.76 -43.96 82.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.309 0.576 . . . . 0.17999999999999999 110.221 175.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 554' ' ' MET . 58.2 mt -63.0 -53.01 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.921 -1.036 . . . . 0.17999999999999999 109.897 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 5.4 tmtt? -57.96 -44.93 87.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.484 -0.78 . . . . 2.2000000000000002 109.856 -178.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -51.82 -58.1 7.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.609 -0.723 . . . . 1.03 111.157 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 561' ' ' ARG . 10.5 tpp180 -60.94 -47.39 86.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.574 -0.285 . . . . 1.5700000000000001 111.292 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 558' ' ' ILE . 92.0 t -56.78 -32.29 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.23999999999999999 111.254 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 60.6 m -60.24 -52.96 63.08 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 122.062 0.145 . . . . 0.83999999999999997 110.632 175.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 7.9 mp -53.19 -48.43 68.06 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 120.841 0.353 . . . . 1.7 111.083 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.413 HD13 ' CD1' ' A' ' 500' ' ' ILE . 97.9 mt -57.49 -53.03 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.568 -0.742 . . . . 0.57999999999999996 111.628 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.479 -0.328 . . . . 0.88 111.04 179.833 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.403 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.203 0 N-CA-C 113.693 0.237 . . . . 0.57999999999999996 113.693 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.534 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -154.75 161.21 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.204 0.526 . . . . 0.35999999999999999 111.04 178.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.456 ' HD2' ' H ' ' A' ' 487' ' ' VAL . 12.1 tpt180 -161.56 133.86 5.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.023 -0.99 . . . . 2.96 109.856 175.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.456 ' H ' ' HD2' ' A' ' 486' ' ' ARG . 61.6 t -105.55 125.19 60.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.048 -0.524 . . . . 0.23000000000000001 110.927 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.419 ' HG3' ' NH1' ' A' ' 505' ' ' ARG . 11.7 mm-40 -115.58 160.93 19.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.237 -0.892 . . . . 2.0099999999999998 110.774 -176.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.419 HD23 HD23 ' A' ' 502' ' ' LEU . 22.8 mt -87.75 131.29 34.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.046 -0.524 . . . . 0.37 111.213 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -88.04 -4.53 58.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.306 0.574 . . . . 0.42999999999999999 110.324 177.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -146.24 -176.31 5.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.455 -0.793 . . . . 2.02 109.56 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.88 121.38 27.64 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.85 0.357 . . . . 2.3599999999999999 110.617 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 C--N 1.322 -0.593 0 CA-C-O 121.499 0.666 . . . . 1.3700000000000001 110.401 177.575 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 CA--C 1.513 -0.444 0 CA-C-O 121.465 0.65 . . . . 0.68000000000000005 110.244 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -105.75 127.38 53.05 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.389 -0.823 . . . . 0.45000000000000001 110.703 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.439 ' CD1' HD13 ' A' ' 565' ' ' ILE . 7.9 pt -123.71 179.02 2.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.479 -0.782 . . . . 0.31 110.991 -175.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . 0.457 ' HE2' ' HG2' ' A' ' 523' ' ' GLU . 18.7 tptm -127.01 123.4 36.98 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.853 -0.795 . . . . 1.8100000000000001 108.853 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.456 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 26.8 mt -122.94 167.67 13.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.472 -0.331 . . . . 0.59999999999999998 111.428 -174.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.676 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.6 m95 -128.97 124.62 35.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.492 . . . . 0.34000000000000002 109.813 169.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.603 HD21 ' SD ' ' A' ' 554' ' ' MET . 38.3 tp -82.64 98.0 8.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.893 -0.41 . . . . 0.28999999999999998 109.893 176.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.52 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 92.7 mtt180 -89.97 128.13 36.18 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.874 -0.603 . . . . 3.3300000000000001 110.164 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 512' ' ' LEU . 24.8 mm -85.69 114.41 25.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.968 -0.382 . . . . 0.51000000000000001 109.968 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.403 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.7 mm-40 -80.78 -30.48 36.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.19 -0.459 . . . . 1.52 110.941 -178.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -147.25 103.66 3.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.958 0.409 . . . . 0.70999999999999996 110.098 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.491 HG22 HG21 ' A' ' 506' ' ' ILE . 2.3 pp -74.8 -15.0 15.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.70999999999999996 111.3 -177.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -79.54 -27.81 41.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 3.1499999999999999 110.694 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -66.91 -25.56 66.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 3.1899999999999999 111.154 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.514 HD13 ' HE1' ' A' ' 554' ' ' MET . 23.0 mt -92.57 154.2 18.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.699 -0.682 . . . . 0.57999999999999996 111.477 -171.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -101.16 47.53 0.91 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 3.2999999999999998 110.199 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -145.56 -161.11 8.96 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.846 -0.692 . . . . 0.95999999999999996 112.184 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -114.07 97.32 6.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.695 0.283 . . . . 3.5299999999999998 110.516 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . 0.418 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 41.5 m-85 -133.14 142.32 48.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.851 0.358 . . . . 0.72999999999999998 110.168 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' A' ' 519' ' ' ASN . 1.6 ttpm? -89.26 148.75 23.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.476 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.22 37.71 0.07 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.188 0.518 . . . . 2.29 111.753 -178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 517' ' ' LYS . 25.0 t-20 177.15 60.65 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.615 -1.254 . . . . 2.5600000000000001 107.615 -178.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . 0.448 ' OE1' ' HB3' ' A' ' 517' ' ' LYS . 40.9 tt0 -139.71 132.12 28.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.624 -0.716 . . . . 1.52 110.732 -172.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -137.33 136.34 37.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.703 -0.681 . . . . 0.42999999999999999 110.215 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.532 HD13 ' HB3' ' A' ' 545' ' ' TYR . 94.5 mt -105.48 104.0 16.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.448 -0.796 . . . . 0.39000000000000001 111.033 -175.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.676 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.9 tt0 -69.53 125.47 26.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.203 -0.908 . . . . 0.59999999999999998 110.963 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -149.5 142.33 24.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.23999999999999999 110.067 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 13.4 p -84.57 150.12 25.42 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.077 -0.342 . . . . 1.24 110.077 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -137.77 122.58 18.8 Favored 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 120.292 -0.563 . . . . 0.27000000000000002 110.437 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 12.3 t70 -94.13 116.89 29.36 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.73 -0.841 . . . . 0.57999999999999996 108.73 174.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.12 -14.25 62.83 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 112.809 0.67 . . . . 0.51000000000000001 112.809 -170.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -112.67 -31.64 6.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.293 -0.563 . . . . 2.1800000000000002 111.825 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -86.57 -47.98 8.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.824 0.345 . . . . 4.0999999999999996 111.765 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -86.26 151.92 23.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.41 0.624 . . . . 0.60999999999999999 112.187 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 536' ' ' VAL . 76.6 t -124.98 130.72 24.11 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.054 -0.975 . . . . 0.28000000000000003 109.842 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 86.9 Cg_exo -48.21 -50.88 11.09 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.712 2.274 . . . . 0.23999999999999999 113.332 -172.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -65.66 -37.27 86.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.32 . . . . 2.3399999999999999 111.551 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 14.9 t70 -63.18 -39.74 95.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.504 0.668 . . . . 1.0900000000000001 109.873 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 532' ' ' VAL . 94.3 t -71.77 -37.53 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.068 -0.969 . . . . 0.28000000000000003 111.289 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.72 -22.97 66.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.815 -0.354 . . . . 0.17000000000000001 110.262 176.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 11.5 mm100 -70.76 -44.35 66.93 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.671 -0.492 . . . . 1.0800000000000001 109.671 172.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . 0.466 ' HG3' ' HA ' ' A' ' 536' ' ' VAL . 20.2 mt-10 -57.45 -41.67 80.98 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.028 -0.73 . . . . 2.0699999999999998 109.028 175.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.454 ' HB3' HG23 ' A' ' 546' ' ' VAL . 50.4 mtt -55.49 -44.54 76.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.155 -0.929 . . . . 0.25 111.196 177.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 537' ' ' ALA . 52.1 t -66.76 -46.02 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.317 -0.402 . . . . 0.23999999999999999 110.479 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 45.5 mt-10 -65.22 -36.2 83.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.529 . . . . 0.77000000000000002 111.762 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.8 m -74.98 -12.1 60.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 1.22 111.412 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 91.26 23.93 28.06 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.69 -0.766 . . . . 0.54000000000000004 112.506 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.532 ' HB3' HD13 ' A' ' 522' ' ' ILE . 39.0 m-85 -93.12 -55.18 3.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.178 0.513 . . . . 0.56000000000000005 110.815 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 98.5 t -112.53 146.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.554 -0.748 . . . . 0.17000000000000001 111.219 -172.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 44.4 t -78.6 136.99 37.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.035 -0.728 . . . . 0.42999999999999999 109.035 173.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.6 -22.09 55.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.941 -0.572 . . . . 2.7200000000000002 111.703 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -68.84 -25.86 74.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.065 -0.588 . . . . 0.32000000000000001 112.495 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -114.43 30.04 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.118 0.485 . . . . 1.23 111.107 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -56.82 -46.35 81.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.62 -0.718 . . . . 0.23999999999999999 110.453 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -67.28 -35.43 79.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 2.8999999999999999 110.813 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 11.3 m -59.44 -50.36 74.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.634 -0.712 . . . . 0.34999999999999998 110.769 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.603 ' SD ' HD21 ' A' ' 504' ' ' LEU . 23.4 mmt -68.82 -45.21 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.864 -0.607 . . . . 0.14000000000000001 110.675 -177.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.44 -31.6 71.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.533 -0.758 . . . . 0.17000000000000001 111.024 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 5.1 tmtm? -64.52 -45.65 86.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.023 -0.732 . . . . 1.8300000000000001 109.023 177.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.534 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.6 -43.66 97.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.735 -0.666 . . . . 0.17999999999999999 110.489 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 562' ' ' VAL . 54.8 mt -62.85 -50.68 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.416 -0.811 . . . . 0.17999999999999999 109.659 178.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 2.9 tmtp? -61.5 -48.03 82.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.535 -0.757 . . . . 2.2000000000000002 110.403 -176.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 29.7 t70 -55.09 -45.6 75.45 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.364 -0.38 . . . . 1.03 111.1 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' A' ' 561' ' ' ARG . 0.4 OUTLIER -70.21 -44.7 68.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.083 -0.508 . . . . 1.5700000000000001 110.948 179.372 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 558' ' ' ILE . 76.2 t -60.81 -36.32 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.23999999999999999 111.073 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.0 t -59.81 -43.1 94.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.42 . . . . 0.83999999999999997 110.159 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 71.6 mt -66.74 -44.13 82.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.542 0.687 . . . . 1.7 110.351 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.439 HD13 ' CD1' ' A' ' 500' ' ' ILE . 86.4 mt -60.23 -49.37 84.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.006 -0.997 . . . . 0.57999999999999996 111.401 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.873 -0.603 . . . . 0.88 111.552 179.883 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 112.347 -0.301 . . . . 0.57999999999999996 112.347 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 1.6 m -147.58 158.11 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 122.634 0.374 . . . . 0.35999999999999999 110.176 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -173.47 141.06 0.86 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.432 -0.804 . . . . 2.96 109.052 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.622 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 64.6 t -109.34 140.64 27.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 C-N-CA 120.822 -0.351 . . . . 0.23000000000000001 110.675 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.484 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 28.6 mt-10 -122.87 164.77 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 2.0099999999999998 110.583 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.542 HD23 HD23 ' A' ' 502' ' ' LEU . 92.3 mt -86.79 138.99 31.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.764 -0.653 . . . . 0.37 110.737 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.487 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -89.12 -12.99 39.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.785 0.802 . . . . 0.42999999999999999 109.506 174.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.89 -170.12 2.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.705 -1.134 . . . . 2.02 109.424 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -110.73 96.24 6.05 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.99 0.424 . . . . 2.3599999999999999 110.454 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . 0.416 ' H ' HD13 ' A' ' 489' ' ' LEU . 27.3 t70 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.883 -0.599 . . . . 1.3700000000000001 110.904 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 N--CA 1.446 -0.627 0 N-CA-C 108.809 -0.811 . . . . 0.68000000000000005 108.809 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -128.94 122.85 31.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.087 -0.96 . . . . 0.45000000000000001 110.214 178.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 502' ' ' LEU . 12.6 pt -112.75 177.39 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.739 -0.664 . . . . 0.31 110.954 -175.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -127.48 112.96 15.54 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.992 -0.744 . . . . 1.8100000000000001 108.992 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.622 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 42.5 mt -115.79 162.54 17.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.342 -0.39 . . . . 0.59999999999999998 111.542 -173.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.632 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.3 m95 -125.05 121.51 34.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.495 -0.557 . . . . 0.34000000000000002 109.495 168.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 23.7 tp -74.27 107.89 6.72 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.735 -0.469 . . . . 0.28999999999999998 109.735 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -98.45 130.11 45.06 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.161 -0.472 . . . . 3.3300000000000001 110.849 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.618 HG21 HG22 ' A' ' 509' ' ' ILE . 26.0 mm -93.31 112.15 25.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.095 -0.502 . . . . 0.51000000000000001 109.837 177.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -81.97 -53.49 6.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.034 -0.53 . . . . 1.52 110.869 -177.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -128.62 103.77 7.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.954 -0.566 . . . . 0.70999999999999996 109.71 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.618 HG22 HG21 ' A' ' 506' ' ' ILE . 2.2 pp -74.72 -18.85 16.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.70999999999999996 111.488 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.12 -25.14 59.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.257 -0.429 . . . . 3.1499999999999999 110.79 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -19.15 61.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.184 -0.462 . . . . 3.1899999999999999 110.679 176.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.463 HD11 HG23 ' A' ' 506' ' ' ILE . 29.2 mt -99.94 149.29 23.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.97 -0.559 . . . . 0.57999999999999996 110.676 -176.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -97.54 75.85 2.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.473 -0.566 . . . . 3.2999999999999998 109.473 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -169.56 -151.44 7.33 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.798 -0.715 . . . . 0.95999999999999996 111.841 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -132.0 103.41 6.27 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.597 -0.52 . . . . 3.5299999999999998 109.597 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -138.32 155.46 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.007 -0.542 . . . . 0.72999999999999998 110.512 -173.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 519' ' ' ASN . 87.2 mttt -89.37 147.29 24.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.349 -0.611 . . . . 1.98 109.349 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.64 26.12 0.32 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.892 0.853 . . . . 2.29 111.25 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 517' ' ' LYS . 28.5 p-10 -160.43 24.06 0.16 Allowed 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.464 -1.244 . . . . 2.5600000000000001 108.738 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 33.9 tt0 -81.31 133.44 35.43 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.275 -0.875 . . . . 1.52 110.133 -174.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -133.44 118.85 18.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.794 -0.639 . . . . 0.42999999999999999 110.506 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.566 HD13 ' HB3' ' A' ' 545' ' ' TYR . 95.5 mt -102.52 105.1 17.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.208 -0.905 . . . . 0.39000000000000001 110.554 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.632 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.1 tt0 -69.08 129.7 40.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.68 -0.691 . . . . 0.59999999999999998 111.331 -178.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -153.06 140.9 20.12 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.582 -0.525 . . . . 0.23999999999999999 109.582 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 19.7 m -88.28 145.27 25.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.849 -0.426 . . . . 1.24 109.849 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -131.7 114.83 15.25 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.892 -0.323 . . . . 0.27000000000000002 110.499 -175.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.0 t70 -81.1 114.42 19.93 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.642 -0.873 . . . . 0.57999999999999996 108.642 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.98 -18.69 64.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.11 -0.496 . . . . 0.51000000000000001 111.642 -173.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.48 -40.85 5.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.167 -0.47 . . . . 2.1800000000000002 111.228 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . 0.552 ' HA ' ' NE ' ' A' ' 530' ' ' ARG . 3.0 mmp_? -93.52 -40.47 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.247 0.832 . . . . 4.0999999999999996 113.247 -177.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.97 152.82 30.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.357 0.599 . . . . 0.60999999999999999 111.825 -174.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.484 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 83.4 t -125.79 133.71 25.17 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.303 -0.862 . . . . 0.28000000000000003 109.449 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 44.8 Cg_exo -56.99 -38.54 95.79 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.343 2.696 . . . . 0.23999999999999999 113.007 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -78.42 -24.04 46.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.134 -0.485 . . . . 2.3399999999999999 110.932 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.484 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 8.2 t70 -73.18 -44.77 59.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.423 0.63 . . . . 1.0900000000000001 109.58 178.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.17 -40.87 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.359 -0.837 . . . . 0.28000000000000003 110.903 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.644 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.94 -24.72 67.61 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.868 -0.333 . . . . 0.17000000000000001 110.895 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 11.7 mm100 -66.45 -45.69 78.94 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.953 0.406 . . . . 1.0800000000000001 110.02 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -59.83 -41.53 91.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.713 -0.676 . . . . 2.0699999999999998 109.64 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.51 ' SD ' HD22 ' A' ' 504' ' ' LEU . 53.4 mtt -56.4 -43.18 79.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.177 -0.92 . . . . 0.25 110.968 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 537' ' ' ALA . 95.3 t -68.18 -50.54 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.855 -0.611 . . . . 0.23999999999999999 110.925 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.01 -36.01 82.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.782 0.325 . . . . 0.77000000000000002 111.385 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 19.3 t -72.49 -16.34 61.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.198 -0.456 . . . . 1.22 111.133 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 99.59 1.36 56.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.749 . . . . 0.54000000000000004 112.652 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.566 ' HB3' HD13 ' A' ' 522' ' ' ILE . 41.0 m-85 -73.12 -43.61 61.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.023 0.44 . . . . 0.56000000000000005 111.034 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 90.1 t -121.23 148.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.895 -0.593 . . . . 0.17000000000000001 110.764 -175.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 40.8 t -87.8 134.9 33.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.482 -0.932 . . . . 0.42999999999999999 108.482 173.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . 0.499 ' HB2' HG11 ' A' ' 541' ' ' VAL . 31.4 tt0 -60.62 -20.41 60.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.961 -0.563 . . . . 2.7200000000000002 111.316 -174.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -65.99 -19.91 68.25 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.051 -0.595 . . . . 0.32000000000000001 112.069 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.97 27.91 7.46 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.848 0.356 . . . . 1.23 111.39 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -55.15 -49.5 71.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.23999999999999999 109.98 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -62.71 -37.42 86.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 2.8999999999999999 111.041 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 19.1 m -60.59 -47.52 85.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.34999999999999998 110.845 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.598 ' O ' HG13 ' A' ' 558' ' ' ILE . 25.0 mmt -70.28 -45.48 66.26 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.917 -0.583 . . . . 0.14000000000000001 110.757 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.98 75.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.661 -0.7 . . . . 0.17000000000000001 110.541 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . 0.511 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 6.4 tmtm? -66.23 -44.9 82.47 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.907 -0.775 . . . . 1.8300000000000001 108.907 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -55.45 -45.74 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.263 0.554 . . . . 0.17999999999999999 110.296 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 554' ' ' MET . 51.9 mt -62.52 -50.04 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.238 -0.892 . . . . 0.17999999999999999 110.164 177.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -65.88 -34.7 78.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.635 -0.711 . . . . 2.2000000000000002 110.73 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -61.42 -48.41 81.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.903 -0.59 . . . . 1.03 110.774 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.66 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.8 tpt180 -67.06 -48.84 67.03 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.279 -0.419 . . . . 1.5700000000000001 110.326 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 558' ' ' ILE . 96.6 t -57.63 -35.04 48.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.049 -0.523 . . . . 0.23999999999999999 111.215 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 13.4 t -64.3 -48.13 76.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.758 -0.201 . . . . 0.83999999999999997 110.81 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -69.95 -32.9 71.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.298 0.57 . . . . 1.7 110.161 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.71 -58.07 8.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.353 -0.839 . . . . 0.57999999999999996 110.852 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.9 mttt . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.88 111.255 -179.257 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.507 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . . . . . . 0 N--CA 1.445 -0.741 0 N-CA-C 110.472 -1.051 . . . . 0.57999999999999996 110.472 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.54 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -151.67 162.8 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 114.778 -0.711 . . . . 0.35999999999999999 110.092 178.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 505' ' ' ARG . 9.0 tpp180 -160.18 141.65 12.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.822 -0.626 . . . . 2.96 110.265 174.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 58.9 t -113.92 134.44 56.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 116.105 -0.498 . . . . 0.23000000000000001 110.22 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -130.12 161.98 29.85 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.691 -0.686 . . . . 2.0099999999999998 110.686 -178.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.01 128.58 34.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.065 -0.97 . . . . 0.37 110.732 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.553 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -75.05 -13.97 60.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.487 0.66 . . . . 0.42999999999999999 110.074 176.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -145.39 -178.25 5.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.032 -0.986 . . . . 2.02 110.013 -172.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -85.29 124.01 31.42 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.953 -0.388 . . . . 2.3599999999999999 109.953 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.9 t70 . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 121.428 0.632 . . . . 1.3700000000000001 111.361 -176.344 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . 0.44 HD12 ' HG3' ' A' ' 529' ' ' GLU . 30.0 mm . . . . . 0 N--CA 1.448 -0.537 0 CA-C-O 121.399 0.619 . . . . 0.68000000000000005 110.597 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -102.71 118.35 36.64 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.636 -0.711 . . . . 0.45000000000000001 110.817 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . 0.422 ' CD1' HD13 ' A' ' 565' ' ' ILE . 12.0 pt -114.36 -177.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.28 -0.873 . . . . 0.31 110.871 -175.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -129.02 114.76 16.8 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.909 -0.587 . . . . 1.8100000000000001 110.035 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.442 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 37.9 mt -113.68 161.71 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 0.59999999999999998 110.406 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.713 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.3 m95 -123.61 126.51 46.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.797 0.332 . . . . 0.34000000000000002 110.628 172.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 49.5 tp -83.29 97.6 8.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.003 -0.544 . . . . 0.28999999999999998 110.397 176.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 486' ' ' ARG . 38.1 mtp180 -80.12 118.31 21.71 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.699 -0.682 . . . . 3.3300000000000001 110.748 178.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.409 HG21 HG22 ' A' ' 509' ' ' ILE . 24.1 mm -85.75 111.77 21.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.539 -0.541 . . . . 0.51000000000000001 109.539 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . 0.507 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 11.4 mm-40 -93.55 -43.34 8.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.953 -0.567 . . . . 1.52 112.429 -171.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -143.34 97.48 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.966 0.412 . . . . 0.70999999999999996 110.522 -176.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.409 HG22 HG21 ' A' ' 506' ' ' ILE . 2.2 pp -74.75 -1.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.4 0.518 . . . . 0.70999999999999996 112.4 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -77.36 -22.1 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.218 0.533 . . . . 3.1499999999999999 109.933 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -79.43 -30.8 42.42 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.567 0.698 . . . . 3.1899999999999999 109.434 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 28.4 mt -85.95 144.47 27.62 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.94 -1.027 . . . . 0.57999999999999996 110.657 -173.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -101.27 50.4 0.86 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.637 0.732 . . . . 3.2999999999999998 109.666 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -149.99 176.09 28.8 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.239 -0.892 . . . . 0.95999999999999996 111.368 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -98.59 76.13 2.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.085 0.469 . . . . 3.5299999999999998 110.528 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -94.56 179.17 5.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.716 -0.675 . . . . 0.72999999999999998 110.001 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -109.73 127.78 54.84 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.069 -0.715 . . . . 1.98 109.069 172.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -80.36 37.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.624 0.726 . . . . 2.29 111.068 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -168.67 28.93 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.274 -0.876 . . . . 2.5600000000000001 110.019 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -123.74 148.57 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.52 111.147 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -128.36 132.58 48.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.42999999999999999 109.958 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.444 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 85.4 mt -104.42 106.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.64 -0.709 . . . . 0.39000000000000001 111.047 -175.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.713 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.3 tt0 -68.54 125.89 27.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.729 -0.669 . . . . 0.59999999999999998 110.951 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . 0.414 ' CD2' HG11 ' A' ' 536' ' ' VAL . 36.6 p90 -140.62 143.78 35.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.434 . . . . 0.23999999999999999 109.877 176.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.4 p -89.55 142.48 27.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.408 -0.36 . . . . 1.24 110.295 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 528' ' ' LEU . 22.9 t80 -129.53 115.99 18.26 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 120.472 -0.491 . . . . 0.27000000000000002 110.963 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -82.23 107.52 14.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.499 -0.926 . . . . 0.57999999999999996 108.499 171.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 526' ' ' PHE . 84.3 mt -65.03 -10.4 29.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.216 0.821 . . . . 0.51000000000000001 113.216 -171.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . 0.44 ' HG3' HD12 ' A' ' 498' ' ' ILE . 39.2 mt-10 -109.71 -34.73 6.39 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.767 -0.373 . . . . 2.1800000000000002 111.747 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 530' ' ' ARG . 1.8 mmp_? -96.46 -40.76 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.51 0.559 . . . . 4.0999999999999996 112.51 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.53 153.75 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.503 0.668 . . . . 0.60999999999999999 111.7 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 69.4 t -127.64 137.7 31.28 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 114.959 -1.018 . . . . 0.28000000000000003 108.738 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -50.1 -48.41 19.87 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.483 2.122 . . . . 0.23999999999999999 112.219 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.06 -33.05 73.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 2.3399999999999999 111.681 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 12.6 t70 -69.38 -43.33 73.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.07 0.462 . . . . 1.0900000000000001 110.019 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 524' ' ' PHE . 99.6 t -64.17 -39.95 87.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.681 -0.69 . . . . 0.28000000000000003 110.451 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.04 -27.22 68.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.375 . . . . 0.17000000000000001 110.614 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.581 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 0.0 OUTLIER -68.01 -45.57 73.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 110.057 -0.349 . . . . 1.0800000000000001 110.057 173.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -55.68 -45.37 77.79 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.865 -0.607 . . . . 2.0699999999999998 109.524 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.525 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 55.5 mtt -54.68 -44.17 73.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.972 -1.013 . . . . 0.25 111.487 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.649 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.0 t -69.59 -44.01 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.322 -0.399 . . . . 0.23999999999999999 110.985 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.42 -40.79 73.64 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.673 0.249 . . . . 0.77000000000000002 111.673 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 39.0 m -74.7 -11.67 60.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.739 0.304 . . . . 1.22 111.465 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 94.97 29.18 9.27 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.581 -0.818 . . . . 0.54000000000000004 113.62 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.57 -43.51 6.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.259 0.552 . . . . 0.56000000000000005 110.379 176.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.649 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 92.3 t -120.42 147.97 23.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.56 -0.746 . . . . 0.17000000000000001 111.064 -173.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 38.1 t -83.03 144.0 30.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.531 -0.759 . . . . 0.42999999999999999 109.15 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.46 -23.69 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.698 -0.683 . . . . 2.7200000000000002 111.929 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.86 -20.7 77.68 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.851 -0.69 . . . . 0.32000000000000001 112.096 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -100.53 7.46 44.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.884 0.373 . . . . 1.23 110.451 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . 0.581 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 45.3 t-80 -53.32 -47.44 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.23999999999999999 110.637 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -64.81 -41.06 96.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.675 . . . . 2.8999999999999999 110.429 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 25.1 m -61.96 -49.04 77.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.01 -0.996 . . . . 0.34999999999999998 111.485 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.578 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.8 mmt -66.91 -44.79 79.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.923 -0.58 . . . . 0.14000000000000001 111.164 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -59.54 -34.8 73.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.501 . . . . 0.17000000000000001 110.712 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -68.84 -35.79 77.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.868 -0.605 . . . . 1.8300000000000001 110.102 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.54 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -65.31 -43.06 92.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.203 0.525 . . . . 0.17999999999999999 109.936 174.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 554' ' ' MET . 62.3 mt -64.13 -50.57 76.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.071 -0.968 . . . . 0.17999999999999999 110.617 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -64.37 -33.5 76.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.02 -0.536 . . . . 2.2000000000000002 110.851 -176.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 18.2 t70 -55.96 -42.79 76.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.042 0.449 . . . . 1.03 110.272 178.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.417 ' HG3' HD11 ' A' ' 565' ' ' ILE . 16.2 tpp180 -76.25 -49.07 18.06 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.742 -0.663 . . . . 1.5700000000000001 111.087 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 558' ' ' ILE . 60.2 t -60.67 -35.79 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.714 -0.221 . . . . 0.23999999999999999 111.445 -175.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 20.6 t -61.12 -43.67 98.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.993 -0.373 . . . . 0.83999999999999997 109.993 176.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 83.9 mt -66.17 -45.02 82.37 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.893 -0.594 . . . . 1.7 110.42 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . 0.422 HD13 ' CD1' ' A' ' 500' ' ' ILE . 89.0 mt -53.22 -57.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.452 -0.795 . . . . 0.57999999999999996 111.376 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.951 -0.568 . . . . 0.88 110.669 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.355 0 N-CA-C 113.773 0.269 . . . . 0.57999999999999996 113.773 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.51 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.8 OUTLIER -150.38 155.87 7.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 123.089 0.555 . . . . 0.35999999999999999 110.273 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' ARG . . . . . 0.444 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 16.4 tpp180 -163.37 134.07 4.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.961 -0.563 . . . . 2.96 110.315 177.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 47.8 t -107.46 132.3 55.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.538 -0.756 . . . . 0.23000000000000001 111.173 -176.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -114.41 160.21 19.41 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.378 -0.828 . . . . 2.0099999999999998 110.602 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' LEU . . . . . 0.558 HD23 HD23 ' A' ' 502' ' ' LEU . 58.2 mt -91.56 133.84 35.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.685 -0.689 . . . . 0.37 110.022 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -83.28 -2.96 56.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.404 0.621 . . . . 0.42999999999999999 110.544 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -156.47 169.55 24.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.455 -0.793 . . . . 2.02 109.984 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.78 117.18 15.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.203 -0.453 . . . . 2.3599999999999999 110.178 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.097 0.475 . . . . 1.3700000000000001 111.349 -177.847 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 31.6 mm . . . . . 0 CA--C 1.508 -0.66 0 CA-C-O 121.656 0.741 . . . . 0.68000000000000005 109.624 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -122.21 123.55 41.76 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.734 -1.121 . . . . 0.45000000000000001 110.127 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.2 pt -117.99 176.7 2.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.726 -0.67 . . . . 0.31 111.014 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -122.69 115.61 22.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.681 -0.69 . . . . 1.8100000000000001 109.478 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' LEU . . . . . 0.558 HD23 HD23 ' A' ' 489' ' ' LEU . 44.2 mt -113.85 160.33 18.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.814 -0.63 . . . . 0.59999999999999998 110.833 -175.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' TRP . . . . . 0.657 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 41.3 m95 -124.56 124.69 42.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.852 -0.425 . . . . 0.34000000000000002 109.852 168.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' LEU . . . . . 0.578 HD21 ' SD ' ' A' ' 554' ' ' MET . 28.8 tp -85.77 109.83 18.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.372 -0.377 . . . . 0.28999999999999998 110.429 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -102.2 137.16 40.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.948 0.404 . . . . 3.3300000000000001 110.392 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' ILE . . . . . 0.539 HG21 HG22 ' A' ' 509' ' ' ILE . 28.4 mm -88.76 121.56 39.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.877 -0.601 . . . . 0.51000000000000001 109.634 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -86.75 -28.22 23.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.85 -0.614 . . . . 1.52 111.057 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -148.75 98.14 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.005 -0.543 . . . . 0.70999999999999996 109.628 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.539 HG22 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -74.74 -24.32 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.86 0.689 . . . . 0.70999999999999996 112.86 -172.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 511' ' ' LYS . 0.8 OUTLIER -88.5 -14.24 38.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.722 -0.391 . . . . 3.1499999999999999 111.77 -173.529 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 510' ' ' LYS . 26.4 mmmt -81.6 -14.48 56.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.918 0.39 . . . . 3.1899999999999999 110.586 174.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' LEU . . . . . 0.598 HD22 ' OD2' ' A' ' 550' ' ' ASP . 71.3 mt -94.14 160.68 14.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.324 0.583 . . . . 0.57999999999999996 111.828 -175.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 547' ' ' CYS . 69.4 mmtt -94.0 87.22 5.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.31 -0.859 . . . . 3.2999999999999998 109.786 173.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 159.69 166.66 19.04 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.066 -0.588 . . . . 0.95999999999999996 111.914 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -93.15 106.61 18.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.858 0.361 . . . . 3.5299999999999998 110.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -128.74 149.28 50.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.229 -0.441 . . . . 0.72999999999999998 109.934 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -87.9 144.42 26.58 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.437 -0.347 . . . . 1.98 110.225 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.66 32.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.052 0.76 . . . . 2.29 113.052 -167.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 30.5 p30 179.4 25.13 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.095 -0.502 . . . . 2.5600000000000001 111.792 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.38 154.52 17.22 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.139 0.495 . . . . 1.52 110.609 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -127.62 148.01 50.37 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.323 -0.853 . . . . 0.42999999999999999 110.297 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' ILE . . . . . 0.661 HD13 ' HB3' ' A' ' 545' ' ' TYR . 82.1 mt -120.81 103.53 13.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.334 -0.848 . . . . 0.39000000000000001 110.184 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' GLU . . . . . 0.657 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 12.8 tt0 -70.24 124.83 25.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.339 -0.392 . . . . 0.59999999999999998 110.697 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' PHE . . . . . 0.429 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 26.5 p90 -144.47 140.1 28.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.221 -0.445 . . . . 0.23999999999999999 109.821 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 49.5 m -90.47 144.43 25.8 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.764 -0.458 . . . . 1.24 109.764 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -131.38 118.22 19.96 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.31 -0.556 . . . . 0.27000000000000002 111.1 -175.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -83.27 105.8 14.53 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.87 -1.159 . . . . 0.57999999999999996 107.87 170.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' LEU . . . . . 0.413 HD22 HG13 ' A' ' 562' ' ' VAL . 57.0 mt -61.26 -18.79 60.13 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.679 -0.691 . . . . 0.51000000000000001 112.787 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -104.89 -40.48 5.92 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.914 -0.314 . . . . 2.1800000000000002 111.53 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -86.38 -49.35 7.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.172 0.434 . . . . 4.0999999999999996 112.172 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -73.11 144.44 46.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.611 0.72 . . . . 0.60999999999999999 111.692 -173.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 536' ' ' VAL . 99.3 t -112.43 134.14 21.64 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 114.949 -1.023 . . . . 0.28000000000000003 108.849 176.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.93 -39.02 49.56 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.09 2.527 . . . . 0.23999999999999999 113.097 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' GLU . . . . . 0.404 ' H ' HG12 ' A' ' 532' ' ' VAL . 41.8 mt-10 -72.89 -34.88 66.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 2.3399999999999999 110.94 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' ASP . . . . . 0.521 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 25.5 t70 -64.56 -44.73 89.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.638 0.733 . . . . 1.0900000000000001 110.319 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 532' ' ' VAL . 53.4 t -71.11 -36.56 63.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.075 -0.966 . . . . 0.28000000000000003 111.109 -178.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.25 -26.5 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.17000000000000001 110.138 175.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 8.3 mm100 -66.47 -47.79 71.95 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.907 -0.405 . . . . 1.0800000000000001 109.907 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.63 -40.4 68.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.137 0.494 . . . . 2.0699999999999998 110.027 175.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' MET . . . . . 0.501 ' HB3' HG23 ' A' ' 546' ' ' VAL . 53.4 mtt -57.19 -46.4 82.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.305 -0.861 . . . . 0.25 111.324 177.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 537' ' ' ALA . 58.7 t -69.68 -47.84 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.895 -0.593 . . . . 0.23999999999999999 110.862 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -60.21 -35.16 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.77000000000000002 111.864 -177.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.4 m -84.53 -4.8 59.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.647 0.26 . . . . 1.22 111.518 -176.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 89.15 17.63 55.38 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.63 -0.795 . . . . 0.54000000000000004 113.539 176.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' TYR . . . . . 0.661 ' HB3' HD13 ' A' ' 522' ' ' ILE . 49.4 m-85 -87.52 -53.82 4.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.09 0.471 . . . . 0.56000000000000005 110.102 177.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 87.2 t -106.59 146.57 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.17000000000000001 110.418 -178.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 513' ' ' LYS . 42.4 t -84.86 145.27 27.9 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.665 -0.865 . . . . 0.42999999999999999 108.665 173.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -3.53 3.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.699 0.629 . . . . 2.7200000000000002 112.699 -172.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -86.36 -11.73 71.53 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.626 -0.797 . . . . 0.32000000000000001 112.884 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' ASP . . . . . 0.598 ' OD2' HD22 ' A' ' 512' ' ' LEU . 4.6 t70 -123.25 26.87 7.79 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.076 0.465 . . . . 1.23 111.004 -178.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' HIS . . . . . 0.516 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 28.0 t-80 -57.99 -49.96 75.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.23999999999999999 111.305 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -67.91 -31.72 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.095 0.474 . . . . 2.8999999999999999 110.824 -176.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' THR . . . . . 0.439 ' HB ' ' CG ' ' A' ' 550' ' ' ASP . 80.5 m -66.67 -49.0 67.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.565 -0.743 . . . . 0.34999999999999998 111.027 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' MET . . . . . 0.578 ' SD ' HD21 ' A' ' 504' ' ' LEU . 25.5 mmt -63.51 -42.12 98.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.859 -0.609 . . . . 0.14000000000000001 110.436 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.87 -35.94 73.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.373 -0.831 . . . . 0.17000000000000001 110.699 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -69.53 -39.94 77.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.103 -0.499 . . . . 1.8300000000000001 110.452 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' ALA . . . . . 0.51 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -59.46 -47.16 86.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.303 0.573 . . . . 0.17999999999999999 110.096 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' ILE . . . . . 0.429 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 81.3 mt -59.83 -53.57 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 114.976 -1.011 . . . . 0.17999999999999999 110.702 176.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.0 -37.05 85.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 2.2000000000000002 111.499 -177.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.58 -48.57 80.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.071 0.462 . . . . 1.03 109.939 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 561' ' ' ARG . 8.3 tpt180 -66.89 -46.48 74.78 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.576 -0.738 . . . . 1.5700000000000001 110.463 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 558' ' ' ILE . 57.6 t -58.15 -38.61 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.429 -0.35 . . . . 0.23999999999999999 110.973 178.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 7.6 t -63.94 -43.54 95.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.232 -0.44 . . . . 0.83999999999999997 110.269 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.56 -40.4 92.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.326 0.584 . . . . 1.7 110.359 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 73.0 mt -58.07 -52.55 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.224 -0.898 . . . . 0.57999999999999996 111.097 176.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.2 mttt . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 116.024 -0.534 . . . . 0.88 111.319 179.807 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.879 -0.489 . . . . 9.5 111.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -84.26 102.52 12.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.018 0.437 . . . . 7.3399999999999999 110.703 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 50.6 ttm -83.52 -34.45 25.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.981 -0.554 . . . . 10.949999999999999 110.238 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 7.3 p-10 -80.55 135.2 53.32 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.878 -0.601 . . . . 6.7800000000000002 110.139 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 33.1 Cg_exo -63.07 57.68 0.16 Allowed 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.953 3.102 . . . . 7.4500000000000002 113.778 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -94.93 -62.61 1.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.564 -0.532 . . . . 7.3399999999999999 109.564 173.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 51.51 66.43 1.19 Allowed 'General case' 0 C--O 1.232 0.167 0 O-C-N 123.889 0.743 . . . . 6.0300000000000002 110.532 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -72.73 -26.67 61.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 5.9199999999999999 110.81 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 3.7 m -70.12 120.15 15.39 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.699 -0.482 . . . . 1.7 109.699 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.483 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -82.75 25.47 4.58 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.66 -0.781 . . . . 0.57999999999999996 112.834 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.536 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.5 OUTLIER -150.57 154.08 9.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 122.832 0.453 . . . . 0.35999999999999999 110.26 178.464 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -159.01 135.19 9.03 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.542 -0.754 . . . . 2.96 109.804 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 63.6 t -112.31 131.02 64.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.3 0.571 . . . . 0.23000000000000001 111.004 -177.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.439 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 79.2 mm-40 -122.18 163.33 19.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.121 -0.945 . . . . 2.0099999999999998 110.059 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.581 HD23 HD23 ' A' ' 502' ' ' LEU . 81.1 mt -83.51 140.56 32.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.734 -0.666 . . . . 0.37 110.158 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -75.57 -17.96 59.89 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.715 0.769 . . . . 0.42999999999999999 109.923 176.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.76 -163.95 1.43 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.603 -1.181 . . . . 2.02 108.976 176.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -115.22 92.84 4.06 Favored 'General case' 0 C--N 1.312 -1.028 0 C-N-CA 120.652 -0.419 . . . . 2.3599999999999999 110.805 177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . 0.5 ' H ' HD13 ' A' ' 489' ' ' LEU . 24.4 t70 -63.8 125.65 25.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.763 -0.653 . . . . 1.3700000000000001 111.31 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -153.21 14.35 0.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.886 -0.597 . . . . 3.3799999999999999 110.527 178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -117.73 -125.4 3.56 Favored Glycine 0 N--CA 1.442 -0.961 0 C-N-CA 120.295 -0.955 . . . . 2.4500000000000002 112.564 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -141.15 7.79 2.02 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.577 -0.311 . . . . 3.3500000000000001 110.241 -176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -49.81 123.82 8.68 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.567 -0.742 . . . . 1.75 111.404 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 31.4 mm -75.56 -30.18 21.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.72 -0.673 . . . . 0.68000000000000005 109.769 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -115.47 123.86 49.65 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.646 -0.706 . . . . 0.45000000000000001 110.725 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.0 pt -117.56 -177.53 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.41 -0.813 . . . . 0.31 110.383 -176.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 24.3 ttmm -130.84 117.66 19.64 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.026 0.441 . . . . 1.8100000000000001 110.102 176.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.581 HD23 HD23 ' A' ' 489' ' ' LEU . 40.3 mt -113.08 156.46 23.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.641 -0.709 . . . . 0.59999999999999998 110.769 -175.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.627 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.0 m95 -119.92 119.3 33.07 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.851 -0.426 . . . . 0.34000000000000002 109.851 169.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.514 HD21 ' SD ' ' A' ' 554' ' ' MET . 45.5 tp -76.18 100.18 4.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.005 -0.543 . . . . 0.28999999999999998 109.753 175.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -88.36 125.67 34.82 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.705 -0.68 . . . . 3.3300000000000001 110.341 178.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.644 HG21 HG22 ' A' ' 509' ' ' ILE . 26.2 mm -86.12 113.47 24.18 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.329 -0.396 . . . . 0.51000000000000001 110.01 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.483 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.8 mt-10 -79.05 -46.09 18.83 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 116.134 -0.485 . . . . 1.52 111.79 -176.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -144.31 105.97 4.29 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.936 0.398 . . . . 0.70999999999999996 110.224 -177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.644 HG22 HG21 ' A' ' 506' ' ' ILE . 2.4 pp -75.19 -11.41 14.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.067 -0.515 . . . . 0.70999999999999996 112.006 -176.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -79.58 -20.11 47.74 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.251 0.548 . . . . 3.1499999999999999 110.293 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . 0.41 ' HA ' ' HD2' ' A' ' 511' ' ' LYS . 13.5 mmmm -78.91 -14.16 59.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.741 -0.663 . . . . 3.1899999999999999 110.459 175.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 33.4 mt -99.52 173.18 6.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.514 -0.766 . . . . 0.57999999999999996 110.509 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -131.58 64.48 1.59 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.272 0.558 . . . . 3.2999999999999998 110.488 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -169.25 -154.79 9.34 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.675 -0.774 . . . . 0.95999999999999996 112.133 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 515' ' ' LYS . 3.8 mppt? -102.77 102.52 12.67 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.938 -0.393 . . . . 3.5299999999999998 109.938 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -132.6 176.39 8.49 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.019 -0.537 . . . . 0.72999999999999998 110.0 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -135.98 139.12 42.95 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.747 -0.464 . . . . 1.98 109.747 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -81.28 37.02 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.925 0.869 . . . . 2.29 110.582 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 28.5 p30 -163.95 36.01 0.08 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.101 -0.954 . . . . 2.5600000000000001 110.04 -178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -128.15 151.73 48.87 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.754 -0.657 . . . . 1.52 110.938 -175.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -146.31 130.08 17.11 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.475 -0.784 . . . . 0.42999999999999999 109.518 174.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.648 HD13 ' HB3' ' A' ' 545' ' ' TYR . 78.1 mt -101.78 105.63 18.28 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.548 -0.751 . . . . 0.39000000000000001 110.987 -175.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.627 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 13.1 tt0 -71.4 130.01 40.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.953 -0.567 . . . . 0.59999999999999998 110.489 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 42.0 p90 -148.12 140.19 24.09 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.672 -0.492 . . . . 0.23999999999999999 109.672 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.462 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 36.1 m -87.52 140.91 29.05 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.684 -0.487 . . . . 1.24 109.684 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -127.85 114.7 17.56 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 120.617 -0.433 . . . . 0.27000000000000002 110.692 -174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -81.8 112.16 18.69 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.495 -0.928 . . . . 0.57999999999999996 108.495 171.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 84.0 mt -65.84 -13.77 60.18 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.503 0.557 . . . . 0.51000000000000001 112.503 -172.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -108.45 -42.68 4.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.68 0.276 . . . . 2.1800000000000002 111.209 177.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 29.0 mmm180 -90.66 -38.74 12.9 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.569 0.581 . . . . 4.0999999999999996 112.569 -173.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -83.74 147.06 27.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.2 0.524 . . . . 0.60999999999999999 111.365 -176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 75.1 t -119.65 133.79 23.85 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.506 -0.77 . . . . 0.28000000000000003 110.36 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -51.09 -51.22 11.66 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.511 2.141 . . . . 0.23999999999999999 112.839 -175.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -69.7 -25.26 63.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.301 -0.409 . . . . 2.3399999999999999 111.694 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 14.8 t70 -67.19 -48.58 67.48 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.268 -0.641 . . . . 1.0900000000000001 109.268 175.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.57 -39.75 82.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.142 -0.935 . . . . 0.28000000000000003 111.084 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.589 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.11 -26.57 66.76 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.921 -0.312 . . . . 0.17000000000000001 111.309 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -68.33 -43.38 77.67 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.586 -0.524 . . . . 1.0800000000000001 109.586 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 3.2 mm-40 -58.77 -42.81 89.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.458 -0.792 . . . . 2.0699999999999998 109.026 176.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.455 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.0 mtt -54.89 -43.44 73.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.232 -0.894 . . . . 0.25 111.173 177.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.643 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 63.5 t -66.68 -50.21 67.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.987 -0.551 . . . . 0.23999999999999999 110.95 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -68.2 -38.33 81.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.265 -0.425 . . . . 0.77000000000000002 111.809 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 33.7 m -76.19 -1.82 28.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.666 0.269 . . . . 1.22 111.719 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 84.73 30.19 27.31 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.735 -0.745 . . . . 0.54000000000000004 113.555 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.648 ' HB3' HD13 ' A' ' 522' ' ' ILE . 72.6 m-85 -103.54 -42.89 5.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.072 0.463 . . . . 0.56000000000000005 110.546 176.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.643 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 86.8 t -121.96 151.91 25.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.715 -0.675 . . . . 0.17000000000000001 110.41 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 43.0 t -87.88 140.33 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.954 -0.758 . . . . 0.42999999999999999 108.954 172.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.484 ' HB2' HG11 ' A' ' 541' ' ' VAL . 10.2 tp10 -59.38 -21.17 59.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.911 -0.586 . . . . 2.7200000000000002 111.281 -175.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -70.85 -18.14 75.84 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.96 -0.638 . . . . 0.32000000000000001 112.682 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.412 ' O ' ' HG2' ' A' ' 554' ' ' MET . 51.3 m-20 -112.65 16.15 19.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.846 0.323 . . . . 1.23 111.158 -178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -53.96 -51.15 64.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.26 -0.427 . . . . 0.23999999999999999 111.523 -178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -63.62 -40.95 98.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.528 -0.305 . . . . 2.8999999999999999 110.244 -177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 44.9 m -58.03 -48.37 80.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.723 -0.672 . . . . 0.34999999999999998 111.106 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.591 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.3 mmt -67.28 -47.15 71.5 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.017 -0.538 . . . . 0.14000000000000001 110.881 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.66 -35.61 78.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.761 -0.654 . . . . 0.17000000000000001 110.903 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -66.6 -36.51 82.79 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.945 -0.57 . . . . 1.8300000000000001 110.135 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.536 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -62.64 -46.42 88.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.209 0.528 . . . . 0.17999999999999999 109.987 174.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.591 HG13 ' O ' ' A' ' 554' ' ' MET . 54.6 mt -61.43 -51.11 76.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.114 -0.948 . . . . 0.17999999999999999 110.362 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -65.15 -35.43 81.07 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.647 -0.706 . . . . 2.2000000000000002 110.593 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -59.72 -43.6 94.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 1.03 110.567 178.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.4 tpt180 -72.03 -48.98 40.58 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.209 -0.451 . . . . 1.5700000000000001 110.684 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 558' ' ' ILE . 95.2 t -57.71 -34.23 47.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.226 -0.443 . . . . 0.23999999999999999 110.59 -179.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 14.5 t -61.87 -49.94 74.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.005 -0.543 . . . . 0.83999999999999997 110.685 177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -70.26 -36.35 74.39 Favored 'General case' 0 C--O 1.226 -0.139 0 CA-C-O 120.879 0.371 . . . . 1.7 110.351 -177.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 65.6 mt -54.11 -55.32 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.621 -0.718 . . . . 0.57999999999999996 111.023 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 98.9 mttt -65.25 -31.37 72.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.847 -0.615 . . . . 0.88 110.845 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.514 ' HD2' ' OE1' ' A' ' 570' ' ' GLU . 31.5 tpt180 -65.68 -43.03 90.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 3.0 111.22 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 564' ' ' LEU . 75.1 mmtt -63.68 -32.84 74.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.461 0.648 . . . . 3.4700000000000002 110.037 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -75.65 -6.11 48.82 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.322 -0.854 . . . . 3.0499999999999998 112.026 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.514 ' OE1' ' HD2' ' A' ' 567' ' ' ARG . 34.1 mt-10 -82.85 -3.04 56.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.148 0.499 . . . . 2.1600000000000001 110.432 178.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -102.81 138.12 40.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.858 -0.61 . . . . 5.2800000000000002 109.899 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 . . . . . 0 C--O 1.247 0.957 0 CA-C-O 118.416 -0.802 . . . . 8.0299999999999994 110.475 179.463 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.929 -0.468 . . . . 9.5 111.929 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -71.29 97.74 1.63 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.986 0.422 . . . . 7.3399999999999999 110.843 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 23.6 ptp -120.05 -15.27 8.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.114 -0.494 . . . . 10.949999999999999 110.585 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . 0.405 ' HB2' ' HD2' ' A' ' 479' ' ' PRO . 4.4 p-10 -129.49 157.05 77.57 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.987 -0.746 . . . . 6.7800000000000002 108.987 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . 0.405 ' HD2' ' HB2' ' A' ' 478' ' ' ASP . 55.2 Cg_endo -68.2 75.33 0.71 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.725 2.284 . . . . 7.4500000000000002 112.936 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -141.81 -56.29 0.46 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.665 -0.698 . . . . 7.3399999999999999 109.486 176.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -69.69 164.11 24.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.663 -0.699 . . . . 6.0300000000000002 110.454 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . 0.537 ' HG2' ' H ' ' A' ' 483' ' ' THR . 27.2 tt0 -71.6 176.49 4.74 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.248 -0.433 . . . . 5.9199999999999999 109.963 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.537 ' H ' ' HG2' ' A' ' 482' ' ' GLU . 2.4 m -50.04 137.75 16.79 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 122.568 0.347 . . . . 1.7 111.054 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.419 ' C ' ' HB3' ' A' ' 507' ' ' GLU . . . -76.1 41.82 1.57 Allowed Glycine 0 C--N 1.333 0.399 0 C-N-CA 121.318 -0.468 . . . . 0.57999999999999996 113.426 -174.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -153.91 170.95 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 C-N-CA 122.653 0.381 . . . . 0.35999999999999999 110.789 179.775 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -161.65 134.8 6.27 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.978 -0.556 . . . . 2.96 110.032 175.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 85.2 t -104.72 133.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.042 0.449 . . . . 0.23000000000000001 110.572 179.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.636 ' HG3' ' NH2' ' A' ' 505' ' ' ARG . 67.9 mm-40 -122.19 160.97 24.07 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.452 -0.794 . . . . 2.0099999999999998 110.174 -177.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.537 HD23 HD23 ' A' ' 502' ' ' LEU . 57.0 mt -80.65 145.03 31.85 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.141 -0.481 . . . . 0.37 109.894 178.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . . . . . . . . . . . -79.69 -30.46 41.07 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.701 0.762 . . . . 0.42999999999999999 109.222 173.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.72 -164.72 1.39 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.754 -1.112 . . . . 2.02 110.066 179.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -94.01 136.23 34.52 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-N 116.023 -0.535 . . . . 2.3599999999999999 109.631 177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -120.05 104.73 10.38 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 112.378 0.51 . . . . 1.3700000000000001 112.378 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -161.05 22.77 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.558 -0.746 . . . . 3.3799999999999999 109.763 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -104.02 8.21 49.44 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.827 -0.701 . . . . 2.4500000000000002 113.528 -174.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 63.09 12.56 6.09 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 121.125 0.488 . . . . 3.3500000000000001 111.554 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -62.6 132.88 53.85 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.485 -0.78 . . . . 1.75 110.449 175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 28.0 mm -76.99 -28.62 16.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.159 -0.473 . . . . 0.68000000000000005 110.732 -174.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -120.56 122.9 41.58 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.354 0.597 . . . . 0.45000000000000001 111.059 -176.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 14.0 pt -120.99 -177.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.122 -0.945 . . . . 0.31 110.498 -175.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 36.2 ttpt -127.5 120.08 27.5 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.155 0.502 . . . . 1.8100000000000001 110.195 175.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.537 HD23 HD23 ' A' ' 489' ' ' LEU . 45.9 mt -112.77 157.38 21.4 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.516 -0.766 . . . . 0.59999999999999998 110.958 -175.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.67 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.5 m95 -119.61 116.56 26.27 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.734 -0.469 . . . . 0.34000000000000002 109.734 169.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.483 ' HB3' ' HB ' ' A' ' 522' ' ' ILE . 51.6 tp -75.23 95.37 3.13 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.443 -0.577 . . . . 0.28999999999999998 109.443 174.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.636 ' NH2' ' HG3' ' A' ' 488' ' ' GLU . 6.5 ttm180 -87.38 120.15 28.38 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.893 -0.594 . . . . 3.3300000000000001 110.019 -179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.601 ' HA ' HG12 ' A' ' 485' ' ' VAL . 30.5 mm -77.1 109.06 11.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.81 -0.632 . . . . 0.51000000000000001 110.026 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.531 ' H ' ' HA ' ' A' ' 485' ' ' VAL . 6.7 tp10 -75.6 -55.33 5.77 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.194 -0.912 . . . . 1.52 110.6 -175.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.45 106.61 8.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.007 0.432 . . . . 0.70999999999999996 110.823 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.482 HG22 HG21 ' A' ' 506' ' ' ILE . 2.4 pp -75.26 -15.15 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.594 0.591 . . . . 0.70999999999999996 112.594 -178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt -84.28 -11.55 56.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.269 0.557 . . . . 3.1499999999999999 110.345 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 42.3 tptt -81.32 -18.62 45.11 Favored 'General case' 0 N--CA 1.434 -1.23 0 CA-C-O 121.861 0.838 . . . . 3.1899999999999999 109.03 174.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 15.0 mt -102.98 173.44 6.3 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.036 -0.984 . . . . 0.57999999999999996 110.444 -175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -138.39 75.25 1.51 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.236 0.541 . . . . 3.2999999999999998 109.958 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -168.24 -154.04 8.55 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.6 -0.727 . . . . 0.95999999999999996 111.734 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -100.35 94.36 6.14 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.755 0.312 . . . . 3.5299999999999998 110.465 179.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -133.37 174.28 10.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.444 . . . . 0.72999999999999998 109.959 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 519' ' ' ASN . 57.0 mtmt -140.64 156.26 46.3 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.244 -0.28 . . . . 1.98 110.244 178.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -79.73 36.58 0.33 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 122.226 1.012 . . . . 2.29 110.66 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 517' ' ' LYS . 23.4 t-20 -171.18 46.42 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.519 -1.219 . . . . 2.5600000000000001 107.76 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -120.03 122.72 41.76 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.029 -0.987 . . . . 1.52 110.204 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -134.1 123.76 24.99 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 115.911 -0.586 . . . . 0.42999999999999999 109.764 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.547 HD13 ' HB3' ' A' ' 545' ' ' TYR . 73.7 mt -101.63 104.17 15.96 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 115.373 -0.83 . . . . 0.39000000000000001 110.642 -176.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.67 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.2 tt0 -71.93 128.91 37.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.719 -0.673 . . . . 0.59999999999999998 110.201 178.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -151.79 140.81 21.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.274 -0.421 . . . . 0.23999999999999999 109.949 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 53.7 m -85.33 144.12 28.26 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.09 -0.337 . . . . 1.24 110.09 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -131.43 122.39 26.18 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.401 -0.519 . . . . 0.27000000000000002 110.806 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -89.09 113.12 24.24 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.709 -0.848 . . . . 0.57999999999999996 108.709 172.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.97 -4.6 13.64 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.608 0.596 . . . . 0.51000000000000001 112.608 -172.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -111.05 -49.92 2.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.011 0.434 . . . . 2.1800000000000002 110.59 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -82.42 -44.66 15.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.794 -0.639 . . . . 4.0999999999999996 112.485 -173.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.1 142.94 43.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.304 0.573 . . . . 0.60999999999999999 111.833 -173.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 536' ' ' VAL . 97.8 t -118.11 125.12 28.15 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.949 . . . . 0.28000000000000003 108.961 176.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.71 -38.12 84.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 123.424 2.75 . . . . 0.23999999999999999 114.015 -173.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -69.83 -40.99 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.644 -0.422 . . . . 2.3399999999999999 110.695 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 18.6 t70 -59.53 -42.01 91.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.235 0.54 . . . . 1.0900000000000001 110.242 177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 532' ' ' VAL . 41.9 t -66.64 -41.37 88.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.203 -0.908 . . . . 0.28000000000000003 110.996 -179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.39 -25.76 67.7 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.378 -0.374 . . . . 0.17000000000000001 110.547 178.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.7 mm100 -66.17 -42.75 88.51 Favored 'General case' 0 CA--C 1.519 -0.241 0 N-CA-C 109.984 -0.376 . . . . 1.0800000000000001 109.984 173.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -59.11 -41.87 89.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 109.16 -0.682 . . . . 2.0699999999999998 109.16 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.425 ' HB3' HG23 ' A' ' 546' ' ' VAL . 59.6 mtt -57.7 -43.42 85.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.918 -1.037 . . . . 0.25 110.968 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 537' ' ' ALA . 67.2 t -67.41 -50.75 59.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.971 -0.558 . . . . 0.23999999999999999 110.724 178.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -60.03 -42.79 95.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.413 -0.358 . . . . 0.77000000000000002 111.565 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 11.4 t -71.96 -12.74 61.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.439 -0.346 . . . . 1.22 111.229 -177.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.12 8.44 56.67 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.723 . . . . 0.54000000000000004 113.489 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.547 ' HB3' HD13 ' A' ' 522' ' ' ILE . 69.8 m-85 -81.41 -48.32 12.07 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.284 0.564 . . . . 0.56000000000000005 110.526 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 68.9 t -112.23 147.05 16.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.666 -0.697 . . . . 0.17000000000000001 110.604 -176.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 50.3 t -84.34 138.41 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.002 -0.74 . . . . 0.42999999999999999 109.002 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.417 ' HB2' HG11 ' A' ' 541' ' ' VAL . 9.3 tp10 -58.82 -24.66 62.26 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.905 -0.589 . . . . 2.7200000000000002 111.308 -174.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -69.22 -24.02 76.09 Favored Glycine 0 CA--C 1.521 0.42 0 C-N-CA 120.949 -0.643 . . . . 0.32000000000000001 112.58 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -106.59 17.64 23.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.812 0.339 . . . . 1.23 110.609 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -55.13 -53.97 49.18 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.997 -0.547 . . . . 0.23999999999999999 111.765 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -70.26 -28.36 65.16 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 121.081 -0.248 . . . . 2.8999999999999999 110.651 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 59.9 m -63.17 -45.21 92.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.097 0.475 . . . . 0.34999999999999998 110.383 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.526 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.3 mmt -71.04 -43.03 68.7 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.037 -0.529 . . . . 0.14000000000000001 110.819 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.92 -33.57 73.35 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.788 -0.642 . . . . 0.17000000000000001 110.761 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -67.49 -39.42 85.2 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.156 -0.475 . . . . 1.8300000000000001 109.964 176.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.5 -46.01 91.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.237 0.542 . . . . 0.17999999999999999 109.996 175.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 554' ' ' MET . 60.6 mt -61.91 -51.61 70.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.193 -0.912 . . . . 0.17999999999999999 110.418 178.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -65.92 -33.24 75.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.855 -0.612 . . . . 2.2000000000000002 110.824 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.5 -47.75 84.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.005 0.431 . . . . 1.03 110.034 177.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.673 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.2 tpt180 -67.22 -48.84 66.64 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.95 -0.568 . . . . 1.5700000000000001 110.594 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 558' ' ' ILE . 99.4 t -59.21 -33.46 50.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.274 -0.421 . . . . 0.23999999999999999 110.693 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 17.2 t -64.41 -49.1 72.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.206 -0.452 . . . . 0.83999999999999997 110.63 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -69.21 -36.4 77.21 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.877 0.37 . . . . 1.7 110.35 -178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 61.8 mt -55.69 -53.96 31.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.459 -0.791 . . . . 0.57999999999999996 110.805 173.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 62.7 mttm -63.41 -35.97 82.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.734 -0.666 . . . . 0.88 110.986 179.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -62.64 -37.66 87.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.363 . . . . 3.0 111.073 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -67.17 -22.39 65.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.252 0.549 . . . . 3.4700000000000002 110.196 176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -91.98 0.03 57.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.598 -0.728 . . . . 3.0499999999999998 112.232 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 566' ' ' LYS . 58.7 mt-10 -87.63 9.05 22.56 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.279 0.561 . . . . 2.1600000000000001 110.206 178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -156.5 148.65 23.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.509 -0.769 . . . . 5.2800000000000002 109.323 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.678 -0.677 . . . . 8.0299999999999994 109.857 177.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.873 -0.491 . . . . 9.5 111.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -142.62 132.87 24.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.888 0.375 . . . . 7.3399999999999999 110.771 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 50.6 ttp -77.68 -28.49 51.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.965 -0.561 . . . . 10.949999999999999 109.75 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . 0.511 ' OD2' ' HB2' ' A' ' 480' ' ' GLN . 5.3 p-10 -89.59 146.24 35.29 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 115.354 -0.839 . . . . 6.7800000000000002 109.867 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 31.8 Cg_exo -62.31 52.67 0.12 Allowed 'Trans proline' 0 CA--C 1.535 0.553 0 C-N-CA 124.03 3.153 . . . . 7.4500000000000002 113.445 174.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.511 ' HB2' ' OD2' ' A' ' 478' ' ' ASP . 27.6 tt0 -72.29 -63.26 1.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.57 -0.53 . . . . 7.3399999999999999 109.57 177.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.579 ' HB3' ' OD1' ' A' ' 560' ' ' ASP . 5.2 mm-40 51.53 41.04 28.23 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 121.815 0.817 . . . . 6.0300000000000002 110.636 178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -138.58 148.43 44.17 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.95 -1.023 . . . . 5.9199999999999999 109.667 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.696 HG22 ' H ' ' A' ' 484' ' ' GLY . 2.4 m -149.06 -173.68 4.43 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 108.687 -0.857 . . . . 1.7 108.687 177.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.696 ' H ' HG22 ' A' ' 483' ' ' THR . . . -74.97 36.53 1.06 Allowed Glycine 0 C--N 1.333 0.398 0 C-N-CA 121.058 -0.591 . . . . 0.57999999999999996 112.21 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.53 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -155.14 158.81 3.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 123.931 0.892 . . . . 0.35999999999999999 108.977 -179.425 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -160.63 133.34 6.34 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.133 0.492 . . . . 2.96 110.397 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.455 HG12 HD22 ' A' ' 502' ' ' LEU . 42.9 t -108.99 130.07 62.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.969 -0.56 . . . . 0.23000000000000001 110.97 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -125.6 157.66 36.6 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.964 -1.016 . . . . 2.0099999999999998 109.845 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.626 HD23 HD23 ' A' ' 502' ' ' LEU . 77.7 mt -79.12 133.78 36.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.874 -0.603 . . . . 0.37 110.149 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.536 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -70.42 -28.42 65.04 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.871 0.843 . . . . 0.42999999999999999 108.842 171.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -114.9 -157.01 0.62 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.165 -1.379 . . . . 2.02 109.113 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -117.23 157.49 25.94 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.198 -1.038 . . . . 2.3599999999999999 108.198 167.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -132.81 99.21 4.54 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.358 -0.537 . . . . 1.3700000000000001 112.154 -174.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -147.65 21.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.122 -0.49 . . . . 3.3799999999999999 110.604 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -110.32 -123.23 4.52 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.626 -0.797 . . . . 2.4500000000000002 112.623 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -138.25 1.99 2.26 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.726 0.298 . . . . 3.3500000000000001 111.552 -172.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -63.58 123.7 19.49 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.178 0.513 . . . . 1.75 111.129 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . 0.439 HD12 ' HB2' ' A' ' 529' ' ' GLU . 6.2 mm -76.72 -34.59 23.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.4 -0.818 . . . . 0.68000000000000005 109.563 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -102.34 127.01 49.53 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.529 -0.759 . . . . 0.45000000000000001 110.458 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.443 ' CD1' HD13 ' A' ' 565' ' ' ILE . 15.9 pt -119.88 173.17 6.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.845 -0.616 . . . . 0.31 110.756 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.456 ' HB3' ' HB3' ' A' ' 490' ' ' ALA . 16.4 tptm -115.66 113.44 23.53 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.824 -0.435 . . . . 1.8100000000000001 109.824 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.626 HD23 HD23 ' A' ' 489' ' ' LEU . 40.2 mt -114.08 156.72 23.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.139 -0.482 . . . . 0.59999999999999998 111.043 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.745 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 34.6 m95 -122.51 123.15 40.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.976 -0.379 . . . . 0.34000000000000002 109.976 169.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 55.2 tp -81.13 95.48 6.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.921 -0.582 . . . . 0.28999999999999998 110.237 176.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.422 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 96.3 mtt180 -80.24 120.16 23.96 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.058 -0.519 . . . . 3.3300000000000001 110.005 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.455 HG21 HG22 ' A' ' 509' ' ' ILE . 27.9 mm -82.6 107.6 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.69 -0.485 . . . . 0.51000000000000001 109.69 177.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.481 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 7.4 mm-40 -80.33 -48.28 13.23 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.963 -0.562 . . . . 1.52 111.77 -173.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -131.36 100.36 5.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.135 0.493 . . . . 0.70999999999999996 110.506 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.455 HG22 HG21 ' A' ' 506' ' ' ILE . 2.4 pp -76.05 -16.97 15.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.678 -0.692 . . . . 0.70999999999999996 112.377 -176.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 12.3 mmmm -74.39 -32.11 62.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.07 0.462 . . . . 3.1499999999999999 110.338 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -68.99 -16.58 63.76 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.586 -0.734 . . . . 3.1899999999999999 111.034 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 14.5 mt -103.13 171.29 7.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.769 -0.65 . . . . 0.57999999999999996 110.006 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -134.94 72.15 1.45 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.595 0.712 . . . . 3.2999999999999998 110.09 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -156.82 -135.84 2.01 Favored Glycine 0 N--CA 1.446 -0.692 0 CA-C-N 115.493 -0.776 . . . . 0.95999999999999996 111.891 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -126.57 93.73 3.86 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.318 0.58 . . . . 3.5299999999999998 109.989 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -137.5 157.16 47.14 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.33 -0.85 . . . . 0.72999999999999998 109.632 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 27.9 mtpp -112.06 151.23 29.62 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 110.411 -0.218 . . . . 1.98 110.411 176.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -80.32 36.27 0.36 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.268 0.556 . . . . 2.29 112.282 -173.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -177.42 40.09 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.16 -1.052 . . . . 2.5600000000000001 108.16 175.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . 0.413 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 29.1 tt0 -115.31 138.61 50.78 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.877 -1.056 . . . . 1.52 110.438 -176.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -133.03 135.45 45.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.294 0.568 . . . . 0.42999999999999999 110.713 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.693 HD13 ' HB3' ' A' ' 545' ' ' TYR . 81.2 mt -103.57 106.77 20.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.103 -0.953 . . . . 0.39000000000000001 110.755 -177.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.745 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 24.6 tt0 -71.39 130.08 40.43 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.988 -0.551 . . . . 0.59999999999999998 110.984 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -149.42 144.29 26.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.229 -0.441 . . . . 0.23999999999999999 109.831 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 47.2 t -83.27 144.53 29.67 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.931 -0.766 . . . . 1.24 108.931 174.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 36.5 t80 -129.36 113.78 15.38 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 120.261 -0.575 . . . . 0.27000000000000002 110.288 178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.42 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.1 t70 -79.86 99.91 7.76 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 108.115 -1.069 . . . . 0.57999999999999996 108.115 172.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.409 HD22 HG13 ' A' ' 562' ' ' VAL . 86.7 mt -54.96 -27.59 44.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.043 -0.526 . . . . 0.51000000000000001 112.16 -172.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.439 ' HB2' HD12 ' A' ' 498' ' ' ILE . 9.4 tp10 -93.03 -45.74 7.78 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 116.225 -0.443 . . . . 2.1800000000000002 111.814 -176.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.74 -44.52 11.09 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.49 0.552 . . . . 4.0999999999999996 112.49 -177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -76.4 158.66 31.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.63 0.729 . . . . 0.60999999999999999 112.579 -170.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 96.5 t -127.81 131.9 24.05 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 114.628 -1.169 . . . . 0.28000000000000003 109.246 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.417 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 50.7 Cg_exo -57.47 -38.99 92.41 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 123.482 2.788 . . . . 0.23999999999999999 112.782 -177.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -68.31 -30.6 69.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.357 -0.383 . . . . 2.3399999999999999 110.732 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 12.9 t70 -73.82 -45.14 53.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.191 0.52 . . . . 1.0900000000000001 110.138 -179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 80.4 t -61.96 -38.7 81.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.532 -0.758 . . . . 0.28000000000000003 110.888 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.62 -21.7 65.38 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.976 -0.289 . . . . 0.17000000000000001 110.79 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.443 HE21 ' HA ' ' A' ' 538' ' ' GLN . 0.0 OUTLIER -74.41 -41.15 61.39 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 109.845 -0.428 . . . . 1.0800000000000001 109.845 173.563 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -58.87 -41.94 88.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.515 -0.766 . . . . 2.0699999999999998 109.231 173.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 58.1 mtt -56.25 -40.62 74.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.156 -0.929 . . . . 0.25 111.299 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.656 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 58.2 t -67.93 -48.08 76.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.23999999999999999 110.722 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -68.38 -33.97 75.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.115 -0.493 . . . . 0.77000000000000002 111.241 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 22.9 t -76.97 -13.23 59.99 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.074 -0.512 . . . . 1.22 111.043 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 89.07 27.77 22.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.792 -0.718 . . . . 0.54000000000000004 112.984 177.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.693 ' HB3' HD13 ' A' ' 522' ' ' ILE . 39.3 m-85 -102.79 -38.0 7.63 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.768 0.318 . . . . 0.56000000000000005 110.953 177.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.656 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 92.3 t -125.46 145.36 32.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.145 -0.48 . . . . 0.17000000000000001 110.674 -176.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 44.1 t -83.98 140.07 32.14 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.083 -0.71 . . . . 0.42999999999999999 109.083 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.506 ' HB2' HG11 ' A' ' 541' ' ' VAL . 44.7 tt0 -61.79 -22.59 65.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.865 -0.607 . . . . 2.7200000000000002 111.69 -174.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -74.88 -13.2 82.65 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.817 -0.706 . . . . 0.32000000000000001 112.65 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 554' ' ' MET . 28.0 m-20 -117.2 20.13 13.85 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.455 0.645 . . . . 1.23 110.193 178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -59.95 -43.4 95.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.098 -0.955 . . . . 0.23999999999999999 111.004 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.98 -41.37 99.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 2.8999999999999999 110.692 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 24.8 m -59.17 -46.29 88.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.901 -0.591 . . . . 0.34999999999999998 111.047 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.608 ' O ' HG13 ' A' ' 558' ' ' ILE . 21.5 mmt -70.9 -45.96 63.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.849 -0.614 . . . . 0.14000000000000001 110.956 -176.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.57 -35.5 76.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.069 -0.514 . . . . 0.17000000000000001 110.745 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -64.9 -43.71 91.95 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.007 -0.542 . . . . 1.8300000000000001 110.059 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.53 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.72 -45.91 88.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.09 0.471 . . . . 0.17999999999999999 110.267 176.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.608 HG13 ' O ' ' A' ' 554' ' ' MET . 57.6 mt -61.56 -51.83 68.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.267 -0.879 . . . . 0.17999999999999999 110.276 178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -63.4 -37.2 86.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 2.2000000000000002 110.855 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . 0.579 ' OD1' ' HB3' ' A' ' 481' ' ' GLU . 26.6 t70 -65.12 -41.69 94.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.301 -0.409 . . . . 1.03 111.113 -175.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.428 ' NH2' ' HG ' ' A' ' 489' ' ' LEU . 8.4 tpt180 -69.74 -43.98 71.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.787 -0.365 . . . . 1.5700000000000001 110.143 178.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 558' ' ' ILE . 79.2 t -60.7 -36.3 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 CA-C-N 115.989 -0.55 . . . . 0.23999999999999999 110.508 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 567' ' ' ARG . 23.5 t -58.65 -46.82 86.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.238 -0.437 . . . . 0.83999999999999997 110.147 176.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 568' ' ' LYS . 89.1 mt -64.24 -44.27 92.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.168 0.508 . . . . 1.7 110.462 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.443 HD13 ' CD1' ' A' ' 500' ' ' ILE . 87.7 mt -59.39 -48.89 85.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.267 -0.879 . . . . 0.57999999999999996 111.651 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.501 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 97.5 mttt -72.7 -33.97 66.83 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.82 -0.627 . . . . 0.88 111.418 -179.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 563' ' ' SER . 13.4 tpt180 -54.43 -37.23 64.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.17 0.51 . . . . 3.0 110.93 -179.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 564' ' ' LEU . 54.2 mttm -74.38 -23.2 58.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.655 -0.702 . . . . 3.4700000000000002 110.772 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -90.93 -25.98 19.52 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.048 -0.524 . . . . 3.0499999999999998 112.068 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 29.6 mm-40 -77.36 -77.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.428 0.529 . . . . 2.1600000000000001 112.428 -172.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -120.06 57.39 0.93 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.732 -0.387 . . . . 5.2800000000000002 111.768 -174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.442 -0.79 . . . . 8.0299999999999994 110.23 175.6 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 N-CA-C 112.173 -0.371 . . . . 9.5 112.173 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . 59.02 59.96 2.6 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 123.239 0.616 . . . . 7.3399999999999999 111.904 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 26.7 ptm -77.67 -22.8 50.03 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.904 -0.776 . . . . 10.949999999999999 108.904 172.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -126.56 149.36 67.75 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 114.845 -1.07 . . . . 6.7800000000000002 108.578 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -50.44 -8.78 0.15 Allowed 'Trans proline' 0 N--CA 1.477 0.538 0 C-N-CA 124.711 3.607 . . . . 7.4500000000000002 115.676 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -117.35 65.1 0.73 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.206 0.527 . . . . 7.3399999999999999 110.973 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -79.16 80.73 5.49 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 121.27 0.557 . . . . 6.0300000000000002 110.122 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -170.24 172.47 6.24 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.249 -0.887 . . . . 5.9199999999999999 109.159 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 1.7 m 64.02 87.56 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.544 0.528 . . . . 1.7 109.658 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -74.42 46.5 1.62 Allowed Glycine 0 C--N 1.334 0.45 0 CA-C-N 116.283 -0.417 . . . . 0.57999999999999996 113.684 -173.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.576 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -151.76 154.69 7.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 C-N-CA 123.099 0.56 . . . . 0.35999999999999999 110.371 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 486' ' ' ARG . 26.4 tpt180 -155.5 154.86 32.46 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.845 -0.616 . . . . 2.96 109.358 176.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 59.3 t -126.83 134.69 65.66 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 120.749 0.309 . . . . 0.23000000000000001 110.472 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -130.04 159.24 37.32 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.707 -0.679 . . . . 2.0099999999999998 110.71 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.533 HD23 HD23 ' A' ' 502' ' ' LEU . 71.6 mt -80.62 134.77 35.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.932 -0.576 . . . . 0.37 110.662 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.51 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -83.68 -18.64 37.31 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.868 -0.606 . . . . 0.42999999999999999 110.0 174.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -131.8 168.26 18.12 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.165 -0.925 . . . . 2.02 109.747 -177.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -81.1 96.66 7.24 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.15 -0.477 . . . . 2.3599999999999999 110.343 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . 0.405 ' HB3' HD13 ' A' ' 489' ' ' LEU . 24.2 t70 -77.21 81.22 3.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.48 0.657 . . . . 1.3700000000000001 110.849 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -140.69 46.58 1.78 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.546 0.689 . . . . 3.3799999999999999 109.816 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -137.11 17.73 3.57 Favored Glycine 0 N--CA 1.446 -0.646 0 CA-C-N 115.337 -0.847 . . . . 2.4500000000000002 112.187 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 55.81 41.86 29.7 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.911 0.862 . . . . 3.3500000000000001 109.227 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -67.12 140.51 57.56 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 114.31 -1.314 . . . . 1.75 111.18 -174.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 23.1 mm -88.54 -32.39 5.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.342 0.592 . . . . 0.68000000000000005 109.461 175.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -126.54 123.46 37.78 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.504 -0.771 . . . . 0.45000000000000001 110.531 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.43 ' CD1' HD13 ' A' ' 565' ' ' ILE . 10.8 pt -122.28 179.92 2.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.536 -0.756 . . . . 0.31 110.897 -174.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 41.1 ttmt -124.75 121.14 33.78 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.87 -0.605 . . . . 1.8100000000000001 109.393 175.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.533 HD23 HD23 ' A' ' 489' ' ' LEU . 29.7 mt -117.41 162.24 18.27 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.865 -0.607 . . . . 0.59999999999999998 110.623 -176.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.611 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.3 m95 -123.15 124.58 43.38 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.562 -0.533 . . . . 0.34000000000000002 109.562 168.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.641 HD21 ' SD ' ' A' ' 554' ' ' MET . 57.2 tp -78.26 96.86 5.36 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.133 -0.691 . . . . 0.28999999999999998 109.133 173.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.516 ' HG3' ' HB2' ' A' ' 521' ' ' ALA . 6.9 ttt180 -91.4 119.15 31.16 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.391 -0.822 . . . . 3.3300000000000001 109.933 -177.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.601 HG21 HG22 ' A' ' 509' ' ' ILE . 26.4 mm -75.16 115.86 17.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 116.238 -0.437 . . . . 0.51000000000000001 109.852 -178.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.479 ' HG3' ' C ' ' A' ' 485' ' ' VAL . 5.8 mt-10 -75.81 -39.65 56.44 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.347 -0.388 . . . . 1.52 110.833 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.422 ' OD1' ' HB2' ' A' ' 510' ' ' LYS . 11.5 t70 -151.45 112.78 4.35 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.284 -0.416 . . . . 0.70999999999999996 110.421 179.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.601 HG22 HG21 ' A' ' 506' ' ' ILE . 2.5 pp -76.31 -14.74 15.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.945 -0.571 . . . . 0.70999999999999996 112.441 -176.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . 0.422 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 34.9 mmtp -75.41 -35.26 61.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 3.1499999999999999 110.506 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -66.8 -21.58 66.04 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.747 -0.66 . . . . 3.1899999999999999 111.619 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.424 HD11 HG23 ' A' ' 506' ' ' ILE . 45.4 mt -91.18 178.48 5.97 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.371 -0.377 . . . . 0.57999999999999996 110.327 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -135.71 74.44 1.51 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.399 0.619 . . . . 3.2999999999999998 110.347 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -171.91 -164.04 26.83 Favored Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.653 -0.703 . . . . 0.95999999999999996 111.416 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -97.11 89.23 4.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.094 0.473 . . . . 3.5299999999999998 110.596 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -123.91 146.11 48.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.586 -0.734 . . . . 0.72999999999999998 109.262 177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.422 ' C ' ' H ' ' A' ' 519' ' ' ASN . 36.2 mtmm -107.04 148.2 29.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.655 0.264 . . . . 1.98 110.612 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -79.46 37.19 0.33 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 122.25 1.024 . . . . 2.29 110.652 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 517' ' ' LYS . 4.4 p-10 -164.13 24.89 0.07 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.709 -1.132 . . . . 2.5600000000000001 108.896 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -122.45 135.12 54.6 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.393 -0.821 . . . . 1.52 111.214 -171.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.516 ' HB2' ' HG3' ' A' ' 505' ' ' ARG . . . -136.45 138.63 41.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.13 -0.941 . . . . 0.42999999999999999 109.395 177.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 67.6 mt -102.69 101.87 12.78 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.011 0 CA-C-N 115.549 -0.75 . . . . 0.39000000000000001 110.869 -175.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.611 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 24.9 tt0 -68.3 127.3 32.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.37 -0.832 . . . . 0.59999999999999998 110.375 179.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 37.9 p90 -149.13 141.24 23.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.365 -0.38 . . . . 0.23999999999999999 110.252 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 15.6 m -86.66 146.6 26.24 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.774 -0.454 . . . . 1.24 109.774 178.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -136.38 120.45 17.69 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 120.104 -0.638 . . . . 0.27000000000000002 111.079 -176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -88.35 116.1 26.33 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.694 -0.854 . . . . 0.57999999999999996 108.694 171.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 83.4 mt -69.24 -6.71 30.89 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.134 -0.485 . . . . 0.51000000000000001 112.077 -172.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -112.65 -45.99 3.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.764 0.316 . . . . 2.1800000000000002 110.813 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 530' ' ' ARG . 53.1 mtp180 -82.38 -50.17 9.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.302 -0.408 . . . . 4.0999999999999996 111.984 -177.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -70.71 153.81 42.45 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.634 0.731 . . . . 0.60999999999999999 112.613 -171.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.585 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 77.5 t -126.87 127.6 24.39 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 114.53 -1.214 . . . . 0.28000000000000003 109.163 177.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 48.0 Cg_exo -57.51 -40.2 82.66 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.221 2.614 . . . . 0.23999999999999999 112.779 -175.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.65 -37.3 82.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.968 0.413 . . . . 2.3399999999999999 110.868 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.585 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 7.7 m-20 -70.39 -42.24 71.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.967 -0.56 . . . . 1.0900000000000001 110.761 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 532' ' ' VAL . 98.3 t -62.27 -38.49 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.041 -0.527 . . . . 0.28000000000000003 110.822 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.9 -20.31 65.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.401 -0.363 . . . . 0.17000000000000001 111.162 179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -76.03 -39.1 56.36 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.938 -0.393 . . . . 1.0800000000000001 109.938 174.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -58.46 -41.49 85.3 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.835 -0.802 . . . . 2.0699999999999998 108.835 173.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 56.8 mtt -55.54 -43.13 75.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.594 -1.184 . . . . 0.25 111.451 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 537' ' ' ALA . 46.6 t -70.32 -43.86 78.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 0.23999999999999999 110.884 -179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.84 -31.34 72.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.445 -0.343 . . . . 0.77000000000000002 111.283 -178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 16.7 t -85.63 -3.12 58.79 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.225 -0.443 . . . . 1.22 111.083 -177.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 83.63 18.67 63.38 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.633 -0.794 . . . . 0.54000000000000004 113.293 176.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.557 ' HB3' HD13 ' A' ' 522' ' ' ILE . 54.5 m-85 -89.84 -42.53 11.2 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.115 0.483 . . . . 0.56000000000000005 110.44 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.553 HG11 ' HG3' ' A' ' 554' ' ' MET . 98.0 t -121.08 146.53 25.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.893 -0.594 . . . . 0.17000000000000001 110.631 -176.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 52.7 t -84.84 138.76 32.37 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.443 -0.947 . . . . 0.42999999999999999 108.443 172.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.488 ' HB2' HG11 ' A' ' 541' ' ' VAL . 33.2 tt0 -58.0 -20.93 42.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.612 -0.722 . . . . 2.7200000000000002 112.165 -171.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -76.54 -20.75 76.31 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.897 -0.668 . . . . 0.32000000000000001 112.856 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.515 ' O ' ' HG2' ' A' ' 554' ' ' MET . 50.7 m-20 -103.48 15.98 27.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.181 0.515 . . . . 1.23 109.959 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -57.75 -47.0 83.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.768 . . . . 0.23999999999999999 111.476 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -64.45 -39.7 94.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.87 0.367 . . . . 2.8999999999999999 110.272 -178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 58.9 m -60.7 -46.07 91.78 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.881 -0.6 . . . . 0.34999999999999998 111.105 177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.641 ' SD ' HD21 ' A' ' 504' ' ' LEU . 23.1 mmt -67.09 -47.34 71.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.14000000000000001 110.814 -178.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.9 -34.32 75.82 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 0.17000000000000001 110.942 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -66.51 -41.08 89.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 116.015 -0.539 . . . . 1.8300000000000001 110.162 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.576 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.2 -45.12 94.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.267 0.556 . . . . 0.17999999999999999 110.242 175.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 554' ' ' MET . 57.0 mt -61.58 -52.15 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.517 0 CA-C-N 115.21 -0.904 . . . . 0.17999999999999999 109.932 177.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -60.68 -39.95 90.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.64 -0.709 . . . . 2.2000000000000002 111.112 -176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.72 -41.25 96.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 1.03 110.445 -177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.662 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.0 tpt180 -70.82 -46.06 63.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.223 -0.444 . . . . 1.5700000000000001 110.433 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 558' ' ' ILE . 90.8 t -60.46 -32.35 51.01 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-N 116.257 -0.429 . . . . 0.23999999999999999 110.351 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 40.7 t -58.59 -51.36 70.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.83999999999999997 110.867 176.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.662 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -71.13 -34.27 70.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.168 0.509 . . . . 1.7 110.694 -178.206 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.43 HD13 ' CD1' ' A' ' 500' ' ' ILE . 85.5 mt -60.62 -48.22 89.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.66 -0.7 . . . . 0.57999999999999996 110.733 172.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.97 -24.64 65.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.88 111.101 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.567 ' HD3' ' O ' ' A' ' 567' ' ' ARG . 2.5 tmt_? -63.34 -31.67 72.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.338 -0.616 . . . . 3.0 109.338 178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -65.12 -35.92 82.64 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.828 -0.623 . . . . 3.4700000000000002 110.011 173.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -75.27 -12.14 60.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.863 -0.608 . . . . 3.0499999999999998 111.686 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -80.22 56.59 2.5 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.243 0.544 . . . . 2.1600000000000001 111.017 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -94.89 155.58 16.71 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.635 -0.712 . . . . 5.2800000000000002 109.947 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.777 -0.63 . . . . 8.0299999999999994 109.965 178.677 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 111.984 -0.446 . . . . 9.5 111.984 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.43 ' HB1' ' HB3' ' A' ' 482' ' ' GLU . . . 61.42 40.24 14.21 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 122.797 0.439 . . . . 7.3399999999999999 111.726 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.4 ttt -69.31 -33.92 73.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.412 0.625 . . . . 10.949999999999999 109.742 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -106.56 138.81 19.86 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.422 -0.808 . . . . 6.7800000000000002 109.329 174.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -61.1 56.16 0.1 OUTLIER 'Trans proline' 0 N--CA 1.478 0.592 0 C-N-CA 124.009 3.14 . . . . 7.4500000000000002 114.244 177.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -87.34 -43.83 11.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.905 0.383 . . . . 7.3399999999999999 110.239 175.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -176.33 121.33 0.16 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.011 -0.737 . . . . 6.0300000000000002 109.011 -178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 483' ' ' THR . 13.2 pt-20 -152.13 -57.06 0.14 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.698 0.285 . . . . 5.9199999999999999 110.851 -178.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 482' ' ' GLU . 10.9 m -162.44 138.04 7.24 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.337 -0.986 . . . . 1.7 108.337 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.444 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -78.13 38.98 1.81 Allowed Glycine 0 CA--C 1.517 0.212 0 C-N-CA 120.642 -0.789 . . . . 0.57999999999999996 113.703 -174.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.598 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -153.0 157.89 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 123.056 0.543 . . . . 0.35999999999999999 109.896 177.314 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -157.23 133.96 10.04 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.752 -0.658 . . . . 2.96 110.029 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 77.4 t -112.19 135.48 51.38 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.934 -0.576 . . . . 0.23000000000000001 111.107 -176.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.456 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 42.7 mt-10 -132.78 163.07 29.86 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.389 -0.823 . . . . 2.0099999999999998 110.535 -177.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.58 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 77.8 mt -81.42 135.6 35.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.876 -0.602 . . . . 0.37 110.746 -177.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -77.77 -24.49 48.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.713 0.768 . . . . 0.42999999999999999 109.277 171.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.58 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 12.6 pt-20 -138.05 155.52 48.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.674 -1.148 . . . . 2.02 108.945 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.15 126.1 30.32 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 116.052 -0.522 . . . . 2.3599999999999999 110.502 -175.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -90.36 120.84 31.82 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.115 -0.493 . . . . 1.3700000000000001 110.717 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -151.79 88.24 1.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.146 -0.479 . . . . 3.3799999999999999 110.468 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 146.87 -100.24 0.22 Allowed Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.507 -0.854 . . . . 2.4500000000000002 112.674 175.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -165.76 42.6 0.07 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.091 0.472 . . . . 3.3500000000000001 111.064 -171.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.13 129.29 39.67 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.872 -0.604 . . . . 1.75 109.834 175.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 30.7 mm -82.35 -27.37 8.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-O 121.434 0.635 . . . . 0.68000000000000005 109.68 -177.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -133.82 120.2 20.16 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.44 -0.8 . . . . 0.45000000000000001 110.67 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 12.6 pt -115.8 -178.61 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.328 -0.851 . . . . 0.31 110.648 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -127.32 118.63 24.54 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.992 -0.549 . . . . 1.8100000000000001 109.888 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.495 HD23 HD23 ' A' ' 489' ' ' LEU . 30.1 mt -118.56 155.42 30.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.715 -0.675 . . . . 0.59999999999999998 110.555 -177.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.708 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 32.1 m95 -118.83 121.6 40.41 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.924 -0.398 . . . . 0.34000000000000002 109.924 171.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.638 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 60.3 tp -79.25 94.32 5.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.937 -0.574 . . . . 0.28999999999999998 110.167 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.535 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 87.1 mtt180 -87.49 119.08 27.42 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.501 -0.772 . . . . 3.3300000000000001 110.53 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.444 HG23 HD11 ' A' ' 512' ' ' LEU . 39.1 mm -74.3 120.55 23.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.736 -0.665 . . . . 0.51000000000000001 110.214 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.444 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 17.0 mm-40 -87.5 -43.86 11.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.112 -0.494 . . . . 1.52 111.535 -176.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -149.5 107.2 3.67 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.968 0.413 . . . . 0.70999999999999996 110.662 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.507 HG22 ' HB2' ' A' ' 516' ' ' TYR . 29.9 pt -75.9 -10.59 13.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 112.862 0.69 . . . . 0.70999999999999996 112.862 -177.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm -73.29 -25.02 60.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.263 0.554 . . . . 3.1499999999999999 109.796 178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -76.69 -27.73 55.63 Favored 'General case' 0 N--CA 1.436 -1.17 0 CA-C-N 115.229 -0.896 . . . . 3.1899999999999999 109.977 176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.444 HD11 HG23 ' A' ' 506' ' ' ILE . 48.3 mt -90.87 155.11 19.0 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.383 -0.826 . . . . 0.57999999999999996 111.099 -174.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -96.81 -34.87 11.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.49 -0.777 . . . . 3.2999999999999998 109.802 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -70.5 179.67 29.15 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.529 -0.76 . . . . 0.95999999999999996 112.602 178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.504 ' HD3' ' N ' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -101.03 115.45 30.52 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.225 -0.287 . . . . 3.5299999999999998 110.225 -177.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . 0.507 ' HB2' HG22 ' A' ' 509' ' ' ILE . 60.7 m-85 -139.57 162.57 34.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.019 0.437 . . . . 0.72999999999999998 110.821 -177.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' A' ' 519' ' ' ASN . 27.1 mtpp -86.82 149.39 24.87 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.468 -0.787 . . . . 1.98 109.442 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.9 28.32 0.36 Allowed 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.844 0.831 . . . . 2.29 110.77 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 517' ' ' LYS . 34.1 t-20 -167.49 41.08 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.348 -1.296 . . . . 2.5600000000000001 107.824 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 8.3 tp10 -91.6 148.26 22.41 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.92 -1.036 . . . . 1.52 109.607 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.638 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -148.77 113.64 5.42 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.548 0.689 . . . . 0.42999999999999999 110.498 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.545 HD13 ' HB3' ' A' ' 545' ' ' TYR . 98.3 mt -96.61 105.51 17.19 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 114.917 -1.038 . . . . 0.39000000000000001 110.41 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.708 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 14.3 tt0 -71.02 125.55 27.16 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.892 -0.595 . . . . 0.59999999999999998 110.529 177.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . 0.431 ' CD2' HG11 ' A' ' 536' ' ' VAL . 39.4 p90 -142.61 148.39 37.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.269 -0.423 . . . . 0.23999999999999999 110.015 178.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 50.6 m -89.86 138.25 31.65 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.27 -0.641 . . . . 1.24 109.27 176.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . 0.454 ' CD2' HD23 ' A' ' 528' ' ' LEU . 32.2 t80 -122.6 110.82 16.02 Favored 'General case' 0 CA--C 1.508 -0.644 0 C-N-CA 120.34 -0.544 . . . . 0.27000000000000002 110.431 -176.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.447 ' CG ' ' HB3' ' A' ' 530' ' ' ARG . 9.0 t70 -83.83 117.05 23.04 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.741 -0.837 . . . . 0.57999999999999996 108.741 172.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' ' 526' ' ' PHE . 68.2 mt -72.84 -8.47 55.7 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.875 -0.602 . . . . 0.51000000000000001 111.756 -172.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -112.85 -45.31 3.21 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.219 -0.446 . . . . 2.1800000000000002 110.665 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . 0.447 ' HB3' ' CG ' ' A' ' 527' ' ' ASP . 15.2 ttt180 -82.83 -50.23 8.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.971 -0.559 . . . . 4.0999999999999996 111.858 -177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . 0.428 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 38.4 m-20 -85.34 143.06 28.89 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.348 0.594 . . . . 0.60999999999999999 111.468 -171.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.492 HG13 ' HD2' ' A' ' 533' ' ' PRO . 55.3 t -113.4 138.57 22.53 Favored Pre-proline 0 C--N 1.317 -0.829 0 CA-C-N 115.106 -0.952 . . . . 0.28000000000000003 109.328 177.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.57 ' HG2' ' HG2' ' A' ' 559' ' ' LYS . 50.8 Cg_exo -47.12 -50.68 10.63 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.379 2.053 . . . . 0.23999999999999999 112.713 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 538' ' ' GLN . 43.6 mt-10 -67.06 -28.25 68.04 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.454 -0.339 . . . . 2.3399999999999999 111.588 179.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.445 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 26.5 t70 -70.38 -42.63 71.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.183 0.516 . . . . 1.0900000000000001 110.082 -179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.431 HG11 ' CD2' ' A' ' 524' ' ' PHE . 92.9 t -62.1 -42.13 93.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.56 -0.745 . . . . 0.28000000000000003 110.356 177.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.56 -29.15 70.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.176 -0.466 . . . . 0.17000000000000001 110.575 177.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.441 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 13.8 mm100 -64.95 -45.99 83.41 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 110.009 -0.367 . . . . 1.0800000000000001 110.009 174.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 5.0 mm-40 -57.37 -45.08 84.8 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.191 -0.67 . . . . 2.0699999999999998 109.191 175.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.464 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 53.7 mtt -54.95 -45.68 74.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.156 -0.929 . . . . 0.25 111.194 177.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 537' ' ' ALA . 86.0 t -64.67 -50.26 76.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.914 -0.585 . . . . 0.23999999999999999 110.88 178.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -66.35 -36.99 84.29 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.921 0.341 . . . . 0.77000000000000002 111.921 -174.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 49.0 m -74.25 -12.2 60.49 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.929 0.344 . . . . 1.22 111.929 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.4 16.4 34.73 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.375 -0.917 . . . . 0.54000000000000004 113.366 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.5 m-85 -91.37 -53.07 4.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.058 0.456 . . . . 0.56000000000000005 110.52 177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.596 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 61.8 t -107.92 152.01 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.595 -0.73 . . . . 0.17000000000000001 110.888 -174.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 45.5 t -91.24 143.3 26.79 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.004 -0.739 . . . . 0.42999999999999999 109.004 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.32 -16.0 51.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 2.7200000000000002 112.313 -175.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -82.13 -14.6 76.59 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.804 -0.713 . . . . 0.32000000000000001 112.661 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 554' ' ' MET . 47.9 m-20 -113.56 15.36 18.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.801 0.334 . . . . 1.23 110.66 -179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -55.79 -48.71 74.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.021 -0.536 . . . . 0.23999999999999999 111.373 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -64.27 -39.54 94.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 2.8999999999999999 110.636 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 83.0 m -61.12 -49.7 76.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 0.34999999999999998 111.201 178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.617 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.6 mmt -64.1 -46.68 83.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.042 -0.526 . . . . 0.14000000000000001 110.667 -178.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.1 87.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.643 -0.708 . . . . 0.17000000000000001 111.233 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.474 ' O ' ' HD2' ' A' ' 556' ' ' LYS . 0.3 OUTLIER -64.31 -40.68 96.4 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.137 -0.69 . . . . 1.8300000000000001 109.137 179.259 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.598 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.41 -46.47 86.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.233 0.54 . . . . 0.17999999999999999 110.114 176.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 554' ' ' MET . 60.2 mt -60.2 -51.35 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.144 -0.935 . . . . 0.17999999999999999 110.231 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.57 ' HG2' ' HG2' ' A' ' 533' ' ' PRO . 2.6 tmtp? -61.16 -46.72 89.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.06 -0.973 . . . . 2.2000000000000002 110.582 -177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -53.49 -40.31 65.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.134 -0.485 . . . . 1.03 111.392 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.698 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.5 tpt180 -72.7 -48.7 36.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 1.5700000000000001 110.408 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 558' ' ' ILE . 94.1 t -59.32 -35.18 56.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.091 -0.504 . . . . 0.23999999999999999 111.055 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 567' ' ' ARG . 22.0 t -60.33 -47.61 85.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.001 -0.545 . . . . 0.83999999999999997 110.591 178.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.698 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -73.38 -36.23 66.03 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.955 0.407 . . . . 1.7 110.49 -178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 65.3 mt -54.52 -54.38 22.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.689 -0.687 . . . . 0.57999999999999996 111.098 173.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 97.9 mttt -68.66 -32.64 72.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.009 -0.541 . . . . 0.88 111.023 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 563' ' ' SER . 0.0 OUTLIER -56.85 -47.17 80.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.389 . . . . 3.0 110.82 179.317 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -66.84 -33.01 74.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.008 -0.542 . . . . 3.4700000000000002 110.504 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -68.84 -24.01 64.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 3.0499999999999998 111.296 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 35.5 mm-40 -78.22 1.39 21.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.272 -0.422 . . . . 2.1600000000000001 110.936 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 57.08 38.58 29.23 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.528 0.68 . . . . 5.2800000000000002 109.325 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 . . . . . 0 C--O 1.247 0.956 0 CA-C-N 115.01 -0.996 . . . . 8.0299999999999994 110.125 -171.489 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 112.456 -0.258 . . . . 9.5 112.456 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.408 ' O ' ' HE3' ' A' ' 511' ' ' LYS . . . -95.4 -8.23 36.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 122.892 -0.181 . . . . 7.3399999999999999 111.148 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 84.4 mtp 71.95 -72.44 0.11 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.407 0.683 . . . . 10.949999999999999 110.695 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -119.62 145.56 39.41 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.132 -0.692 . . . . 6.7800000000000002 109.132 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -42.39 86.74 0.01 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 124.921 3.747 . . . . 7.4500000000000002 115.056 -176.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -83.48 -62.44 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.9 -0.778 . . . . 7.3399999999999999 108.9 171.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -160.5 39.15 0.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.115 -1.069 . . . . 6.0300000000000002 108.115 176.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 62.68 -79.65 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.91 -1.041 . . . . 5.9199999999999999 109.836 -169.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.57 147.04 25.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.278 -0.419 . . . . 1.7 110.216 173.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -84.88 26.92 5.11 Favored Glycine 0 CA--C 1.508 -0.347 0 C-N-CA 120.479 -0.867 . . . . 0.57999999999999996 111.219 174.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.588 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.6 OUTLIER -150.15 156.18 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 114.76 -0.72 . . . . 0.35999999999999999 109.62 -178.117 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -164.11 132.75 3.66 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.51 0.671 . . . . 2.96 110.631 175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.585 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 57.9 t -104.63 138.63 28.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 115.237 -0.892 . . . . 0.23000000000000001 109.978 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -129.8 157.8 41.21 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.189 -0.46 . . . . 2.0099999999999998 110.744 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.488 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 85.9 mt -79.91 129.87 34.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.542 -0.754 . . . . 0.37 110.416 -178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.443 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -71.45 -21.55 61.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.212 0.53 . . . . 0.42999999999999999 110.046 176.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 9.8 pt-20 -143.79 171.01 14.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.183 -0.917 . . . . 2.02 109.524 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.1 112.15 17.13 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.312 -0.404 . . . . 2.3599999999999999 110.565 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . 0.441 ' CG ' HH21 ' A' ' 569' ' ' ARG . 34.8 t70 -90.57 114.52 26.77 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.858 -0.61 . . . . 1.3700000000000001 111.784 -175.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -174.72 98.84 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 3.3799999999999999 110.761 175.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 154.44 -103.98 0.25 Allowed Glycine 0 N--CA 1.441 -0.968 0 C-N-CA 120.245 -0.979 . . . . 2.4500000000000002 112.932 173.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -116.87 11.64 14.5 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.301 -0.449 . . . . 3.3500000000000001 110.919 -170.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -68.79 100.35 1.16 Allowed 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 115.657 -0.701 . . . . 1.75 111.075 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . 0.412 HD12 ' CD ' ' A' ' 529' ' ' GLU . 18.5 mm -83.52 -43.29 18.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 N-CA-C 107.865 -1.161 . . . . 0.68000000000000005 107.865 171.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -105.52 119.51 39.29 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.322 -1.308 . . . . 0.45000000000000001 110.044 176.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.4 pt -110.88 -177.66 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 115.279 -0.873 . . . . 0.31 110.835 -174.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.4 ' HE2' ' OE2' ' A' ' 523' ' ' GLU . 74.3 tttt -130.02 112.86 13.88 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.344 -0.613 . . . . 1.8100000000000001 109.344 -178.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.585 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 54.3 mt -116.44 153.24 32.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.549 . . . . 0.59999999999999998 111.469 -174.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.673 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.2 m95 -119.26 118.87 32.42 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.473 -0.566 . . . . 0.34000000000000002 109.473 169.301 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.508 HD21 ' SD ' ' A' ' 554' ' ' MET . 39.4 tp -78.11 107.0 10.37 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.093 -0.503 . . . . 0.28999999999999998 110.073 175.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -99.88 145.14 28.13 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.004 -0.544 . . . . 3.3300000000000001 110.285 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.568 HG21 HG22 ' A' ' 509' ' ' ILE . 23.7 mm -101.72 105.88 18.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.168 -0.469 . . . . 0.51000000000000001 111.031 -177.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -67.59 -41.74 83.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.861 -0.609 . . . . 1.52 111.324 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -142.52 102.16 4.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.081 0.467 . . . . 0.70999999999999996 110.407 -177.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.568 HG22 HG21 ' A' ' 506' ' ' ILE . 2.8 pp -74.06 -17.1 17.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.771 -0.649 . . . . 0.70999999999999996 112.187 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -71.42 -27.93 63.64 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 120.733 0.301 . . . . 3.1499999999999999 111.263 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . 0.408 ' HE3' ' O ' ' A' ' 476' ' ' ALA . 68.3 mmtt -82.72 -4.43 57.86 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-O 120.784 0.326 . . . . 3.1899999999999999 111.607 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 26.6 mt -101.6 160.09 14.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.503 -0.317 . . . . 0.57999999999999996 110.464 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -120.32 67.15 0.83 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.067 0.46 . . . . 3.2999999999999998 110.758 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -158.75 -145.5 4.26 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.754 -0.736 . . . . 0.95999999999999996 111.939 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -117.39 83.36 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 3.5299999999999998 110.296 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -123.81 156.33 36.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.902 -0.59 . . . . 0.72999999999999998 109.865 -177.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 519' ' ' ASN . 36.4 mtmm -122.36 157.67 31.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.646 -0.252 . . . . 1.98 110.442 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -77.87 37.22 0.23 Allowed 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.974 0.893 . . . . 2.29 110.729 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 517' ' ' LYS . 6.5 p30 -166.63 33.58 0.04 OUTLIER 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.46 -1.245 . . . . 2.5600000000000001 108.325 -177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.44 136.26 45.32 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.265 -0.879 . . . . 1.52 110.797 -171.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -144.87 138.52 27.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.477 -0.783 . . . . 0.42999999999999999 110.251 176.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.655 HD13 ' HB3' ' A' ' 545' ' ' TYR . 65.1 mt -121.73 105.24 16.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.418 -0.81 . . . . 0.39000000000000001 110.194 -178.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.673 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 17.8 tt0 -76.41 122.8 25.02 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.754 -0.657 . . . . 0.59999999999999998 110.836 -178.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -141.88 142.34 33.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.231 -0.44 . . . . 0.23999999999999999 110.218 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.2 m -88.22 129.78 35.26 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.497 -0.557 . . . . 1.24 109.497 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -120.88 115.12 22.62 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.597 -0.441 . . . . 0.27000000000000002 110.92 -173.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.513 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 9.8 t70 -81.3 113.01 19.13 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.841 -0.8 . . . . 0.57999999999999996 108.841 173.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.68 -14.08 60.52 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 112.26 0.467 . . . . 0.51000000000000001 112.26 -173.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.412 ' CD ' HD12 ' A' ' 498' ' ' ILE . 72.1 mt-10 -106.37 -39.4 5.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.588 0.232 . . . . 2.1800000000000002 111.113 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -91.57 -51.61 5.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.233 0.457 . . . . 4.0999999999999996 112.233 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 6.8 m-20 -69.15 150.06 47.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.391 0.615 . . . . 0.60999999999999999 111.872 -172.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.413 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 77.7 t -128.09 129.6 23.66 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 114.974 -1.012 . . . . 0.28000000000000003 109.892 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 86.6 Cg_exo -48.67 -52.05 9.26 Favored 'Trans proline' 0 C--O 1.239 0.53 0 C-N-CA 122.85 2.366 . . . . 0.23999999999999999 113.065 -174.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.94 -28.95 69.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.146 -0.479 . . . . 2.3399999999999999 111.576 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.52 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 23.0 t70 -68.57 -46.83 68.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.163 0.506 . . . . 1.0900000000000001 109.685 177.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 88.2 t -62.37 -40.56 88.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.457 -0.792 . . . . 0.28000000000000003 111.036 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.88 -27.02 67.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.402 -0.363 . . . . 0.17000000000000001 111.078 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -70.78 -41.93 71.05 Favored 'General case' 0 CA--C 1.517 -0.295 0 N-CA-C 109.954 -0.387 . . . . 1.0800000000000001 109.954 173.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 36.4 mm-40 -58.01 -41.19 82.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.71 -0.677 . . . . 2.0699999999999998 109.492 174.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 55.8 mtt -58.93 -36.8 75.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.23 -0.895 . . . . 0.25 111.797 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.661 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 59.6 t -69.82 -38.84 76.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.039 -0.528 . . . . 0.23999999999999999 110.318 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -75.4 -34.0 61.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.865 -0.607 . . . . 0.77000000000000002 111.152 -178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 35.6 p -74.75 -21.08 59.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.115 -0.493 . . . . 1.22 111.391 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 98.08 17.49 29.66 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.762 -0.732 . . . . 0.54000000000000004 112.449 178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.655 ' HB3' HD13 ' A' ' 522' ' ' ILE . 42.5 m-85 -90.94 -44.1 9.57 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.087 0.47 . . . . 0.56000000000000005 110.643 177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 85.1 t -120.48 147.29 24.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.665 -0.698 . . . . 0.17000000000000001 110.399 -175.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 40.1 t -91.12 142.19 28.02 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.85 -0.796 . . . . 0.42999999999999999 108.85 174.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -55.02 -25.01 27.32 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 113.295 0.85 . . . . 2.7200000000000002 113.295 -170.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.04 -21.19 78.75 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.577 -0.821 . . . . 0.32000000000000001 112.748 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.454 ' O ' ' HG2' ' A' ' 554' ' ' MET . 45.2 m-20 -102.75 15.17 30.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.867 0.365 . . . . 1.23 110.677 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -56.27 -47.3 78.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.23999999999999999 111.593 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -64.75 -40.64 95.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.377 . . . . 2.8999999999999999 110.424 -176.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . 0.424 ' O ' HG21 ' A' ' 485' ' ' VAL . 56.1 m -61.12 -47.5 85.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.617 -0.72 . . . . 0.34999999999999998 111.211 178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.508 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.9 mmt -66.11 -46.99 75.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.132 0.492 . . . . 0.14000000000000001 110.86 -177.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.45 -33.84 74.41 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.502 -0.772 . . . . 0.17000000000000001 111.238 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -66.2 -40.18 90.18 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 116.386 -0.37 . . . . 1.8300000000000001 110.186 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.588 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.89 -45.23 95.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.38 0.61 . . . . 0.17999999999999999 110.25 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.508 ' O ' HG23 ' A' ' 562' ' ' VAL . 55.6 mt -60.47 -51.46 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 114.86 -1.064 . . . . 0.17999999999999999 109.963 177.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -65.29 -40.42 93.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.516 -0.765 . . . . 2.2000000000000002 111.318 -176.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.68 -42.34 98.05 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.138 0.494 . . . . 1.03 110.051 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.667 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 0.4 OUTLIER -65.47 -53.03 48.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.883 -0.598 . . . . 1.5700000000000001 110.674 177.003 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 558' ' ' ILE . 92.6 t -55.65 -37.18 45.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.232 -0.44 . . . . 0.23999999999999999 110.677 178.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.503 ' O ' ' HG2' ' A' ' 567' ' ' ARG . 47.6 t -55.47 -56.89 15.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.066 -0.515 . . . . 0.83999999999999997 110.668 176.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -66.73 -36.22 81.94 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.868 0.366 . . . . 1.7 110.785 -176.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 63.3 mt -53.77 -52.17 37.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.815 -0.629 . . . . 0.57999999999999996 110.619 173.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.577 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 96.3 mttt -69.96 -29.96 67.21 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.631 -0.713 . . . . 0.88 111.492 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 563' ' ' SER . 34.5 mmt180 -66.47 -35.44 80.29 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.582 0.229 . . . . 3.0 111.256 178.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 564' ' ' LEU . 66.0 mttm -62.32 -27.41 69.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.593 0.711 . . . . 3.4700000000000002 109.841 173.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.441 HH21 ' CG ' ' A' ' 493' ' ' ASP . 90.4 mtt180 -90.71 -9.71 45.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.118 -0.946 . . . . 3.0499999999999998 111.402 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 12.4 mm-40 -78.48 4.11 14.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 2.1600000000000001 111.688 -177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -74.55 -16.46 60.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.639 0.733 . . . . 5.2800000000000002 109.352 174.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 . . . . . 0 C--O 1.248 1.009 0 CA-C-N 114.946 -1.025 . . . . 8.0299999999999994 109.771 178.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 N-CA-C 111.838 -0.505 . . . . 9.5 111.838 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -81.84 137.82 35.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.689 0.28 . . . . 7.3399999999999999 110.411 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -76.04 -15.91 60.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.27 0.557 . . . . 10.949999999999999 109.533 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -98.28 152.6 38.05 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.23 -0.896 . . . . 6.7800000000000002 109.638 175.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -39.48 123.24 1.02 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 124.018 3.146 . . . . 7.4500000000000002 112.895 176.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -51.37 112.89 0.82 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.655 -0.702 . . . . 7.3399999999999999 111.61 -175.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -111.83 114.43 27.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.55 -0.75 . . . . 6.0300000000000002 109.763 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.39 -21.8 63.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.809 -0.632 . . . . 5.9199999999999999 110.309 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.41 HG22 ' CG2' ' A' ' 485' ' ' VAL . 2.2 m -82.72 73.45 9.76 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.494 -0.775 . . . . 1.7 109.846 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.4 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -74.09 62.85 2.11 Favored Glycine 0 C--N 1.334 0.425 0 CA-C-N 115.493 -0.776 . . . . 0.57999999999999996 113.034 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.608 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -148.68 161.78 5.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 122.861 0.464 . . . . 0.35999999999999999 110.774 177.092 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -163.2 137.05 5.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.865 -0.607 . . . . 2.96 110.254 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 50.5 t -112.98 137.62 45.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-N 115.903 -0.59 . . . . 0.23000000000000001 111.191 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.445 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 58.3 mt-10 -134.45 160.58 37.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.291 -0.868 . . . . 2.0099999999999998 110.719 -176.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.522 HD23 HD23 ' A' ' 502' ' ' LEU . 74.4 mt -80.26 140.29 36.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.875 -0.602 . . . . 0.37 110.288 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.499 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -86.45 -0.34 55.8 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.75 0.786 . . . . 0.42999999999999999 109.313 172.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -142.38 179.49 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.646 -1.161 . . . . 2.02 110.086 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -102.32 76.41 1.56 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.193 -0.458 . . . . 2.3599999999999999 109.985 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . 0.403 ' OD2' ' HB2' ' A' ' 497' ' ' LYS . 8.1 t0 -95.64 117.36 30.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.431 -0.35 . . . . 1.3700000000000001 110.806 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -142.54 19.41 2.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.765 -0.652 . . . . 3.3799999999999999 110.2 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . 0.535 ' O ' ' HA ' ' A' ' 569' ' ' ARG . . . -119.0 -123.41 3.19 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.114 -1.041 . . . . 2.4500000000000002 113.014 -174.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -133.87 42.39 2.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.172 0.51 . . . . 3.3500000000000001 110.299 -175.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.403 ' HB2' ' OD2' ' A' ' 493' ' ' ASP . 9.6 mtpm? -76.82 143.16 39.95 Favored 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 121.509 0.671 . . . . 1.75 110.719 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 30.4 mm -88.83 -30.74 5.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.26 -0.882 . . . . 0.68000000000000005 110.211 -178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -128.78 134.02 48.25 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.101 -0.5 . . . . 0.45000000000000001 110.814 -176.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.438 ' CD1' HD13 ' A' ' 565' ' ' ILE . 11.8 pt -131.24 -177.4 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-N 115.552 -0.749 . . . . 0.31 110.769 -175.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.469 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 23.1 ttmm -130.75 121.33 25.24 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.809 -0.632 . . . . 1.8100000000000001 109.398 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.522 HD23 HD23 ' A' ' 489' ' ' LEU . 42.6 mt -116.65 157.6 25.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.144 -0.48 . . . . 0.59999999999999998 111.484 -175.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.724 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 38.7 m95 -121.2 120.07 34.14 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.03 -0.532 . . . . 0.34000000000000002 109.971 170.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.592 HD21 ' SD ' ' A' ' 554' ' ' MET . 51.1 tp -81.84 96.14 7.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.717 -0.674 . . . . 0.28999999999999998 109.802 175.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.561 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 35.5 mtm105 -85.3 135.75 33.78 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.085 -0.507 . . . . 3.3300000000000001 110.249 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.53 HG21 HG22 ' A' ' 509' ' ' ILE . 30.8 mm -91.41 118.03 35.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.033 -0.53 . . . . 0.51000000000000001 110.387 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.4 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.2 mm-40 -82.51 -41.99 18.98 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.074 -0.512 . . . . 1.52 111.692 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.593 ' CG ' ' HD3' ' A' ' 511' ' ' LYS . 11.5 t0 -143.63 102.0 3.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.071 0.463 . . . . 0.70999999999999996 111.078 -175.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.53 HG22 HG21 ' A' ' 506' ' ' ILE . 2.9 pp -77.52 -6.51 9.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 113.267 0.84 . . . . 0.70999999999999996 113.267 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -75.46 -38.54 59.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.478 0.656 . . . . 3.1499999999999999 109.489 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . 0.593 ' HD3' ' CG ' ' A' ' 508' ' ' ASP . 14.1 mptt -64.82 -35.73 82.05 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.009 -0.996 . . . . 3.1899999999999999 111.402 177.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 45.4 mt -82.07 144.21 30.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.884 -0.598 . . . . 0.57999999999999996 110.979 -176.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -112.54 75.93 0.95 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.922 -0.581 . . . . 3.2999999999999998 110.119 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -167.32 -148.99 5.84 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.492 -0.643 . . . . 0.95999999999999996 111.492 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -107.14 101.52 10.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.041 0.448 . . . . 3.5299999999999998 110.095 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -142.21 169.28 17.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.723 -0.672 . . . . 0.72999999999999998 110.354 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' A' ' 519' ' ' ASN . 10.1 mtmp? -133.79 154.29 51.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.811 -0.631 . . . . 1.98 109.47 176.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -76.74 37.11 0.17 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.833 0.825 . . . . 2.29 110.629 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 517' ' ' LYS . 27.9 p30 -166.66 28.09 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.876 -1.056 . . . . 2.5600000000000001 109.084 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -97.68 139.77 33.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 115.306 -0.861 . . . . 1.52 110.817 -172.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.571 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -148.42 125.49 11.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.658 -0.701 . . . . 0.42999999999999999 110.486 176.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.538 HD13 ' HB3' ' A' ' 545' ' ' TYR . 95.7 mt -105.0 109.06 26.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.283 -0.871 . . . . 0.39000000000000001 110.568 -178.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.724 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 20.2 tt0 -75.51 127.88 34.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.888 -0.597 . . . . 0.59999999999999998 110.351 178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 44.8 p90 -146.74 140.97 26.28 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.933 -0.395 . . . . 0.23999999999999999 109.933 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.469 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 28.9 m -87.74 139.62 30.35 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.729 -0.471 . . . . 1.24 109.729 178.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 528' ' ' LEU . 27.6 t80 -130.14 115.66 17.35 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 120.236 -0.585 . . . . 0.27000000000000002 111.147 -171.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.447 ' O ' ' HB2' ' A' ' 531' ' ' ASP . 12.4 t70 -85.46 111.06 19.62 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.239 -1.023 . . . . 0.57999999999999996 108.239 171.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 526' ' ' PHE . 71.1 mt -62.99 -15.55 56.63 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 116.173 -0.467 . . . . 0.51000000000000001 112.184 -172.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -101.66 -43.87 5.74 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.978 -0.289 . . . . 2.1800000000000002 111.289 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -88.66 -42.48 11.98 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.39 0.515 . . . . 4.0999999999999996 112.39 -177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' ' 527' ' ' ASP . 2.4 m-20 -74.67 139.29 43.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.562 0.696 . . . . 0.60999999999999999 111.906 -173.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 96.8 t -114.57 127.25 27.01 Favored Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 114.727 -1.124 . . . . 0.28000000000000003 108.259 174.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.447 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 34.2 Cg_exo -60.07 -37.24 85.67 Favored 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.878 2.386 . . . . 0.23999999999999999 112.526 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -63.53 -36.53 84.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.125 -0.489 . . . . 2.3399999999999999 110.619 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.595 ' O ' ' HG3' ' A' ' 539' ' ' GLU . 22.9 t70 -70.73 -42.14 70.93 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.843 -0.429 . . . . 1.0900000000000001 109.843 178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.429 ' HA ' ' OE1' ' A' ' 539' ' ' GLU . 99.3 t -57.91 -48.99 82.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.041 -0.527 . . . . 0.28000000000000003 110.248 176.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.32 -18.81 64.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.893 -0.594 . . . . 0.17000000000000001 111.029 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.679 HE21 ' HA ' ' A' ' 538' ' ' GLN . 0.0 OUTLIER -81.65 -41.52 21.3 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.28 -0.637 . . . . 1.0800000000000001 109.28 176.414 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 535' ' ' ASP . 21.1 mt-10 -57.88 -41.17 81.93 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.743 -0.836 . . . . 2.0699999999999998 108.743 173.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 54.7 mtt -54.59 -42.47 71.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.409 -1.269 . . . . 0.25 111.145 178.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.638 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.0 t -68.99 -47.79 73.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.162 -0.472 . . . . 0.23999999999999999 110.794 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 44.1 mt-10 -63.7 -34.54 78.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.942 -0.572 . . . . 0.77000000000000002 111.718 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 45.6 m -89.53 7.2 37.44 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 111.895 0.332 . . . . 1.22 111.895 -177.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 85.78 9.71 77.43 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.882 -0.675 . . . . 0.54000000000000004 114.079 172.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.538 ' HB3' HD13 ' A' ' 522' ' ' ILE . 86.2 m-85 -82.08 -55.59 4.47 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.263 0.554 . . . . 0.56000000000000005 110.672 179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 79.4 t -111.54 149.08 14.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.514 -0.767 . . . . 0.17000000000000001 110.954 -173.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 51.8 t -85.94 141.75 29.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.007 -0.542 . . . . 0.42999999999999999 109.642 175.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.405 ' HB3' HG11 ' A' ' 541' ' ' VAL . 9.9 pt-20 -61.98 -20.43 63.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.64 -0.709 . . . . 2.7200000000000002 112.329 -173.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -77.78 -17.36 78.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.583 -0.818 . . . . 0.32000000000000001 112.361 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 554' ' ' MET . 7.3 m-20 -116.76 25.53 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.452 0.644 . . . . 1.23 110.509 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -58.01 -44.27 87.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.944 -1.026 . . . . 0.23999999999999999 110.479 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -66.54 -41.79 88.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.899 -0.591 . . . . 2.8999999999999999 110.865 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 20.8 m -56.72 -46.15 81.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.844 -0.616 . . . . 0.34999999999999998 110.882 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.592 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.6 mmt -68.62 -48.69 63.45 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.703 -0.68 . . . . 0.14000000000000001 110.917 -178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.42 -32.38 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.89 -0.595 . . . . 0.17000000000000001 111.143 -179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 10.7 tmtt? -66.98 -44.4 80.52 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.415 -0.587 . . . . 1.8300000000000001 109.415 179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.608 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.17 -45.69 87.05 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 121.28 0.562 . . . . 0.17999999999999999 110.141 176.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 554' ' ' MET . 40.0 mt -62.04 -48.0 90.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.112 -0.949 . . . . 0.17999999999999999 109.978 178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -63.16 -38.66 92.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.654 -0.703 . . . . 2.2000000000000002 110.972 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.54 -40.81 97.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 1.03 110.462 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.7 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.2 tpt180 -73.36 -45.48 54.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.825 -0.625 . . . . 1.5700000000000001 110.51 178.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 558' ' ' ILE . 71.0 t -59.91 -36.28 65.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.652 -0.249 . . . . 0.23999999999999999 110.961 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 28.6 t -56.36 -49.9 73.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.114 -0.494 . . . . 0.83999999999999997 110.56 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.0 pp -72.29 -38.3 68.8 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 116.533 -0.303 . . . . 1.7 110.313 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.438 HD13 ' CD1' ' A' ' 500' ' ' ILE . 70.6 mt -55.11 -54.36 25.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 0.57999999999999996 111.387 175.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.407 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 51.9 mttp -60.06 -35.86 76.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.889 -0.596 . . . . 0.88 110.88 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.568 ' HD3' ' O ' ' A' ' 567' ' ' ARG . 0.0 OUTLIER -71.66 -34.26 69.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.061 0.458 . . . . 3.0 109.905 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -66.66 -28.9 68.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 3.4700000000000002 110.584 175.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.535 ' HA ' ' O ' ' A' ' 495' ' ' GLY . 38.9 mtm180 -65.92 -24.6 66.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.686 -0.688 . . . . 3.0499999999999998 110.499 175.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' A' ' 567' ' ' ARG . 15.9 mt-10 -86.16 -11.2 53.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.55 -0.75 . . . . 2.1600000000000001 109.751 178.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -100.6 89.42 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.576 -0.738 . . . . 5.2800000000000002 110.486 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.478 -0.772 . . . . 8.0299999999999994 109.916 178.293 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 112.151 -0.379 . . . . 9.5 112.151 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -91.07 -31.87 16.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.575 0.226 . . . . 7.3399999999999999 111.419 -178.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 15.1 tpt 68.89 -72.82 0.1 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.385 0.674 . . . . 10.949999999999999 111.325 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 5.9 p-10 -81.15 135.14 51.27 Favored Pre-proline 0 C--N 1.327 -0.403 0 N-CA-C 109.333 -0.617 . . . . 6.7800000000000002 109.333 177.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 95.5 Cg_exo -48.3 82.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 124.646 3.564 . . . . 7.4500000000000002 114.938 -175.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -120.55 -9.91 9.33 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.905 -0.588 . . . . 7.3399999999999999 109.923 174.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 56.83 77.4 0.26 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.153 -0.93 . . . . 6.0300000000000002 110.82 -177.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . 0.43 ' HG3' ' NH2' ' A' ' 486' ' ' ARG . 32.3 tt0 -85.09 114.58 22.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.313 0.578 . . . . 5.9199999999999999 109.812 179.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.472 ' C ' ' H ' ' A' ' 485' ' ' VAL . 2.7 m -60.47 163.2 5.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.928 -1.033 . . . . 1.7 110.485 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -73.74 34.76 0.86 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 121.151 -0.547 . . . . 0.57999999999999996 112.932 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.568 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -155.53 153.9 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 C-N-CA 124.143 0.977 . . . . 0.35999999999999999 108.926 177.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.43 ' NH2' ' HG3' ' A' ' 482' ' ' GLU . 8.6 tpp180 -164.91 143.18 6.48 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.707 -0.479 . . . . 2.96 109.707 177.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.648 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 65.3 t -109.26 136.82 43.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-O 121.046 0.451 . . . . 0.23000000000000001 111.474 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.585 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 73.3 mm-40 -121.4 159.66 25.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.29 -0.868 . . . . 2.0099999999999998 109.839 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 502' ' ' LEU . 68.9 mt -81.67 139.01 35.2 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.189 -0.46 . . . . 0.37 109.971 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.448 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -82.35 -20.73 36.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.527 0.679 . . . . 0.42999999999999999 109.796 175.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.65 -169.27 2.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.076 -0.966 . . . . 2.02 109.132 176.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -105.94 89.25 3.02 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.858 -0.337 . . . . 2.3599999999999999 110.485 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . 0.464 ' H ' HD13 ' A' ' 489' ' ' LEU . 18.1 t70 -67.65 105.9 2.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 1.3700000000000001 111.016 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -131.68 -14.67 3.18 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.719 -0.673 . . . . 3.3799999999999999 110.668 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -90.59 4.21 82.02 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 121.053 -0.594 . . . . 2.4500000000000002 113.701 -172.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 569' ' ' ARG . 44.9 mt-10 59.81 48.7 8.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 122.215 1.007 . . . . 3.3500000000000001 109.445 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.407 ' O ' HD12 ' A' ' 528' ' ' LEU . 43.8 mtpt -68.52 147.09 52.49 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 113.52 -1.673 . . . . 1.75 110.736 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . 0.465 HG23 ' CB ' ' A' ' 529' ' ' GLU . 16.0 mm -79.39 -24.09 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.397 0 CA-C-O 121.383 0.611 . . . . 0.68000000000000005 109.642 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -137.31 127.64 26.41 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.47 -0.786 . . . . 0.45000000000000001 110.469 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 14.0 pt -126.82 -178.1 2.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.017 -0.538 . . . . 0.31 111.335 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -123.83 115.78 21.88 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.896 -0.593 . . . . 1.8100000000000001 109.422 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.648 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 57.6 mt -115.32 159.77 20.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.0 -0.546 . . . . 0.59999999999999998 111.239 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.683 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 38.3 m95 -122.61 125.31 45.38 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.731 0.301 . . . . 0.34000000000000002 110.5 169.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.639 HD21 ' SD ' ' A' ' 554' ' ' MET . 23.8 tp -81.46 98.71 8.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.22 -0.446 . . . . 0.28999999999999998 110.263 176.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -84.31 137.04 33.66 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 120.837 -0.345 . . . . 3.3300000000000001 110.449 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.696 HG21 HG22 ' A' ' 509' ' ' ILE . 27.8 mm -90.41 108.87 20.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.904 -0.589 . . . . 0.51000000000000001 109.441 173.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -79.76 -38.2 33.76 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.273 -0.421 . . . . 1.52 110.842 -177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -151.47 111.3 4.04 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.095 -0.502 . . . . 0.70999999999999996 110.125 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.696 HG22 HG21 ' A' ' 506' ' ' ILE . 2.1 pp -74.66 -11.6 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 112.48 0.548 . . . . 0.70999999999999996 112.48 -176.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -76.48 -22.04 55.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.366 0.603 . . . . 3.1499999999999999 110.247 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -73.95 -18.37 60.89 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.516 -0.765 . . . . 3.1899999999999999 110.754 174.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.557 HD11 HG23 ' A' ' 506' ' ' ILE . 27.8 mt -102.05 151.91 21.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.772 -0.649 . . . . 0.57999999999999996 111.6 -172.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -89.97 -26.48 20.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.256 -0.884 . . . . 3.2999999999999998 110.464 -176.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -84.18 -166.31 40.58 Favored Glycine 0 C--N 1.317 -0.515 0 CA-C-N 115.404 -0.816 . . . . 0.95999999999999996 112.578 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -111.58 110.85 21.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.989 0.423 . . . . 3.5299999999999998 110.373 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -132.49 169.1 17.04 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.115 -0.698 . . . . 0.72999999999999998 109.115 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 35.0 mtmm -98.95 139.82 34.04 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.632 -0.507 . . . . 1.98 109.632 175.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -82.64 37.52 0.53 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.826 0.822 . . . . 2.29 110.64 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 517' ' ' LYS . 31.7 p30 -167.03 26.04 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.379 -1.282 . . . . 2.5600000000000001 108.947 178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . 0.445 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 13.0 tt0 -111.34 143.81 41.55 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.113 -0.949 . . . . 1.52 111.102 -171.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.573 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.46 140.01 44.52 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.849 -0.614 . . . . 0.42999999999999999 110.631 177.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.644 HD13 ' HB3' ' A' ' 545' ' ' TYR . 96.8 mt -108.75 107.83 23.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.22 -0.9 . . . . 0.39000000000000001 110.601 -177.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.683 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.1 tt0 -68.3 129.03 38.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.177 -0.465 . . . . 0.59999999999999998 110.877 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . 0.497 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 40.1 p90 -146.21 142.76 28.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.405 -0.362 . . . . 0.23999999999999999 110.072 176.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 18.4 m -84.57 143.2 29.45 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.17 -0.678 . . . . 1.24 109.17 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -131.93 115.76 16.28 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 119.722 -0.791 . . . . 0.27000000000000002 110.918 -177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -84.67 102.28 12.83 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.227 -1.027 . . . . 0.57999999999999996 108.227 171.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.407 HD12 ' O ' ' A' ' 497' ' ' LYS . 23.3 mt -61.93 -18.37 60.05 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.417 0.627 . . . . 0.51000000000000001 111.363 -174.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.465 ' CB ' HG23 ' A' ' 498' ' ' ILE . 33.8 tt0 -93.24 -43.32 8.88 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.125 -0.943 . . . . 2.1800000000000002 111.058 -176.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -97.44 -46.65 5.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.898 0.703 . . . . 4.0999999999999996 112.898 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.6 146.77 46.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.747 0.784 . . . . 0.60999999999999999 112.431 -171.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 89.4 t -117.08 135.04 22.97 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.535 -1.211 . . . . 0.28000000000000003 108.681 175.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -52.36 -36.84 70.41 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.466 2.777 . . . . 0.23999999999999999 112.971 -178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -71.28 -33.07 69.42 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.452 -0.34 . . . . 2.3399999999999999 111.235 176.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 27.1 t70 -69.69 -43.92 71.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.048 0.451 . . . . 1.0900000000000001 110.081 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.42 HG11 ' CD2' ' A' ' 524' ' ' PHE . 88.8 t -63.88 -42.07 94.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.714 -0.676 . . . . 0.28000000000000003 110.629 177.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.73 -26.76 68.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.511 -0.313 . . . . 0.17000000000000001 110.582 177.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.524 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 9.1 mm100 -66.79 -45.81 77.23 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.43 -0.35 . . . . 1.0800000000000001 110.236 173.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 29.0 mm-40 -59.15 -40.58 85.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 2.0699999999999998 109.676 175.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.476 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 55.8 mtt -55.3 -46.09 76.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.001 -1.0 . . . . 0.25 110.954 176.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.675 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 64.7 t -65.6 -49.93 74.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.79 -0.641 . . . . 0.23999999999999999 111.069 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.19 -36.5 84.25 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.131 0.419 . . . . 0.77000000000000002 112.131 -174.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 54.0 m -81.94 -8.76 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.657 -0.417 . . . . 1.22 111.7 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 94.79 9.43 58.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.592 -0.813 . . . . 0.54000000000000004 113.773 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.644 ' HB3' HD13 ' A' ' 522' ' ' ILE . 82.5 m-85 -77.75 -43.5 30.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.294 0.568 . . . . 0.56000000000000005 110.102 177.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.675 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 81.9 t -122.84 147.85 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.102 -0.954 . . . . 0.17000000000000001 110.308 -175.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.4 ' O ' HG12 ' A' ' 546' ' ' VAL . 41.4 t -83.69 145.12 28.94 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.314 -0.625 . . . . 0.42999999999999999 109.314 174.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -57.17 -26.23 60.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 2.7200000000000002 111.1 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -71.2 -15.75 74.8 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.985 -0.626 . . . . 0.32000000000000001 112.462 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.478 ' O ' ' HG2' ' A' ' 554' ' ' MET . 68.4 m-20 -109.56 11.79 24.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.604 0.24 . . . . 1.23 111.056 -178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . 0.524 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 45.6 t-80 -56.98 -50.91 71.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.38 . . . . 0.23999999999999999 111.57 -177.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -65.18 -33.14 75.3 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.207 0.527 . . . . 2.8999999999999999 110.489 -178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 33.0 m -67.63 -47.23 70.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.227 -0.897 . . . . 0.34999999999999998 111.001 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.639 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.3 mmt -67.92 -42.1 81.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.979 -0.555 . . . . 0.14000000000000001 110.786 -179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.71 -33.73 70.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.625 -0.716 . . . . 0.17000000000000001 110.561 177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -69.02 -44.96 71.7 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.924 -0.58 . . . . 1.8300000000000001 110.582 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.568 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -57.9 -46.02 85.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.244 -0.435 . . . . 0.17999999999999999 110.35 178.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.497 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 80.2 mt -61.65 -50.76 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 115.284 -0.871 . . . . 0.17999999999999999 110.259 176.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -57.98 -44.11 86.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.981 -0.554 . . . . 2.2000000000000002 111.287 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -56.7 -47.81 79.08 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 120.826 0.346 . . . . 1.03 111.167 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.661 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 8.1 tpt180 -68.09 -44.44 76.24 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.82 -0.352 . . . . 1.5700000000000001 110.101 -179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 558' ' ' ILE . 75.4 t -60.47 -34.62 58.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.141 -0.481 . . . . 0.23999999999999999 111.089 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 71.1 m -62.03 -44.76 96.01 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 111.639 0.237 . . . . 0.83999999999999997 111.639 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -74.91 -31.8 61.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.347 0.594 . . . . 1.7 110.472 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 561' ' ' ARG . 78.1 mt -63.07 -51.94 65.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.323 -0.853 . . . . 0.57999999999999996 111.136 172.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.463 ' HE3' ' CG1' ' A' ' 562' ' ' VAL . 97.3 mttt -64.12 -22.65 67.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.894 -0.593 . . . . 0.88 111.338 178.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.53 ' HB3' ' O ' ' A' ' 564' ' ' LEU . 22.4 tpt180 -55.91 -28.9 58.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.257 -0.429 . . . . 3.0 110.846 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -79.14 -28.86 42.88 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.779 0.323 . . . . 3.4700000000000002 110.293 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 496' ' ' GLU . 11.5 mpt_? -70.97 -22.08 62.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 3.0499999999999998 111.218 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -72.15 59.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.99 -0.55 . . . . 2.1600000000000001 111.812 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -85.67 145.7 27.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.245 -0.434 . . . . 5.2800000000000002 110.856 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.858 -0.591 . . . . 8.0299999999999994 109.563 179.333 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.704 -0.558 . . . . 9.5 111.704 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . 55.56 57.83 5.02 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.012 0.434 . . . . 7.3399999999999999 111.497 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 27.5 ttt -64.55 -51.42 62.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 10.949999999999999 110.346 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 4.9 p-10 -88.5 134.35 34.46 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.137 -0.483 . . . . 6.7800000000000002 109.969 179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 36.0 Cg_exo -60.72 92.98 0.1 OUTLIER 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 123.218 2.612 . . . . 7.4500000000000002 112.352 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -130.87 -63.59 0.86 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.925 -0.579 . . . . 7.3399999999999999 109.585 176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 483' ' ' THR . 9.1 tp10 61.2 96.42 0.03 OUTLIER 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.181 -0.918 . . . . 6.0300000000000002 110.549 -177.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -63.37 -33.87 76.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.659 -0.7 . . . . 5.9199999999999999 109.587 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.442 ' O ' ' HG3' ' A' ' 481' ' ' GLU . 0.2 OUTLIER -67.98 125.43 26.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.556 -0.747 . . . . 1.7 110.154 178.233 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -82.26 38.31 2.59 Favored Glycine 0 N--CA 1.455 -0.083 0 C-N-CA 120.524 -0.845 . . . . 0.57999999999999996 113.234 -176.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.551 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.7 OUTLIER -148.65 155.75 8.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 C-N-CA 122.712 0.405 . . . . 0.35999999999999999 110.144 177.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.635 ' C ' ' HD2' ' A' ' 486' ' ' ARG . 2.0 tmm_? -164.8 136.21 4.24 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.327 -0.852 . . . . 2.96 109.05 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.545 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 65.0 t -109.24 136.54 44.82 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.862 0 CA-C-N 115.659 -0.7 . . . . 0.23000000000000001 111.169 -176.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -120.71 163.61 17.83 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.142 -0.936 . . . . 2.0099999999999998 110.012 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 502' ' ' LEU . 66.7 mt -83.69 149.5 26.45 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.953 -0.567 . . . . 0.37 110.687 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.609 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -92.73 -2.0 56.37 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.69 -0.687 . . . . 0.42999999999999999 110.074 174.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -152.37 -177.87 6.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.925 -1.034 . . . . 2.02 109.629 -172.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -94.02 81.28 4.12 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.145 0.498 . . . . 2.3599999999999999 110.6 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . 0.529 ' HB3' HD13 ' A' ' 489' ' ' LEU . 22.3 t70 -73.86 111.56 9.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.796 -0.638 . . . . 1.3700000000000001 110.518 178.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -168.3 25.61 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.214 0.531 . . . . 3.3799999999999999 109.816 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -126.26 -124.92 2.81 Favored Glycine 0 N--CA 1.441 -1.026 0 C-N-CA 120.426 -0.893 . . . . 2.4500000000000002 112.22 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -126.51 29.65 5.71 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.828 0.347 . . . . 3.3500000000000001 111.253 -173.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -81.09 128.64 33.96 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 121.11 0.481 . . . . 1.75 110.277 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 21.6 mm -86.59 -32.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.456 -0.793 . . . . 0.68000000000000005 109.747 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . 0.444 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -112.4 122.75 48.6 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.448 -0.796 . . . . 0.45000000000000001 110.278 178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.461 ' CD1' HD13 ' A' ' 565' ' ' ILE . 12.5 pt -116.94 175.61 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.524 -0.762 . . . . 0.31 111.264 -173.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.494 ' HD2' ' CG ' ' A' ' 523' ' ' GLU . 4.5 tppp? -119.89 118.66 31.34 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.654 -0.703 . . . . 1.8100000000000001 109.888 176.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.55 HD23 HD23 ' A' ' 489' ' ' LEU . 48.5 mt -117.18 158.2 24.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.879 -0.6 . . . . 0.59999999999999998 110.94 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.712 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.3 m95 -125.4 117.36 23.53 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.651 -0.5 . . . . 0.34000000000000002 109.651 170.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.59 HD21 ' SD ' ' A' ' 554' ' ' MET . 38.0 tp -73.4 107.33 5.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.139 -0.482 . . . . 0.28999999999999998 110.49 178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 520' ' ' GLU . 60.8 mtt180 -98.19 129.01 44.96 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.192 -0.458 . . . . 3.3300000000000001 110.59 179.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.541 HG21 HG22 ' A' ' 509' ' ' ILE . 21.0 mm -82.75 114.47 23.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 109.065 -0.717 . . . . 0.51000000000000001 109.065 174.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.36 -37.39 57.34 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.846 -0.616 . . . . 1.52 110.569 -178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.459 ' OD1' ' HB2' ' A' ' 510' ' ' LYS . 16.0 t70 -150.26 109.69 3.99 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.515 -0.766 . . . . 0.70999999999999996 109.237 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.541 HG22 HG21 ' A' ' 506' ' ' ILE . 2.3 pp -73.89 -17.16 17.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.959 0.409 . . . . 0.70999999999999996 111.028 -175.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . 0.459 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 33.2 mmtp -70.99 -28.67 64.61 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 121.227 0.536 . . . . 3.1499999999999999 110.078 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -66.97 -18.04 65.2 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.41 -0.814 . . . . 3.1899999999999999 111.178 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.491 HD11 HG23 ' A' ' 506' ' ' ILE . 19.4 mt -103.89 163.29 12.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.087 -0.506 . . . . 0.57999999999999996 110.724 -175.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -105.57 7.62 32.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.011 -0.541 . . . . 3.2999999999999998 110.093 178.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -102.79 -175.14 26.87 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.616 -0.72 . . . . 0.95999999999999996 111.673 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.545 ' HD2' ' N ' ' A' ' 515' ' ' LYS . 0.0 OUTLIER -110.87 109.92 20.3 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.728 -0.471 . . . . 3.5299999999999998 109.728 -178.791 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . 0.432 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 78.6 m-85 -137.05 152.27 49.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.885 0.374 . . . . 0.72999999999999998 110.824 -175.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.477 ' C ' ' H ' ' A' ' 519' ' ' ASN . 55.1 mtpt -74.44 144.9 44.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.728 -0.669 . . . . 1.98 109.765 174.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -78.9 36.54 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 122.171 0.986 . . . . 2.29 110.179 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' A' ' 517' ' ' LYS . 3.2 t-20 -168.9 27.52 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.36 -1.291 . . . . 2.5600000000000001 108.238 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 5.4 tp10 -84.04 132.37 34.73 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.365 -0.834 . . . . 1.52 110.57 -174.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.578 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.64 111.95 9.8 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.441 -0.8 . . . . 0.42999999999999999 110.189 176.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.63 HD13 ' HB3' ' A' ' 545' ' ' TYR . 63.1 mt -97.13 106.69 18.84 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 CA-C-N 114.601 -1.181 . . . . 0.39000000000000001 110.688 -178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.712 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.2 tt0 -68.81 132.86 47.48 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.307 -0.406 . . . . 0.59999999999999998 111.022 179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . 0.531 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 37.2 p90 -151.21 145.78 25.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.065 -0.516 . . . . 0.23999999999999999 110.189 175.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 52.1 m -90.81 142.01 28.21 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.965 -0.383 . . . . 1.24 109.965 177.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -131.2 115.37 16.26 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 120.51 -0.476 . . . . 0.27000000000000002 110.681 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.444 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 11.3 t70 -84.34 113.46 21.17 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.544 -0.91 . . . . 0.57999999999999996 108.544 171.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.33 -22.85 66.39 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.946 -0.57 . . . . 0.51000000000000001 112.188 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -103.03 -29.14 11.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.74 0.305 . . . . 2.1800000000000002 111.575 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 63.5 mtt85 -106.98 -44.04 4.5 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.785 0.661 . . . . 4.0999999999999996 112.785 -174.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.12 150.24 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.174 0.511 . . . . 0.60999999999999999 111.549 -175.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 533' ' ' PRO . 71.7 t -120.4 133.07 23.96 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.406 -0.815 . . . . 0.28000000000000003 109.914 179.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.582 ' HG2' ' HG2' ' A' ' 559' ' ' LYS . 36.3 Cg_exo -55.27 -41.15 81.23 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.507 2.804 . . . . 0.23999999999999999 112.78 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -71.53 -32.88 68.66 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.236 -0.438 . . . . 2.3399999999999999 110.908 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 20.1 t70 -69.13 -47.52 64.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.301 -0.408 . . . . 1.0900000000000001 110.112 -179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.492 HG11 ' CD2' ' A' ' 524' ' ' PHE . 100.0 t -59.46 -41.7 85.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.733 -0.667 . . . . 0.28000000000000003 110.851 178.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -66.36 -25.73 66.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.399 -0.364 . . . . 0.17000000000000001 110.958 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -75.46 -40.34 57.57 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.716 0.293 . . . . 1.0800000000000001 110.268 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 49.4 mm-40 -57.31 -40.84 78.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.343 -0.614 . . . . 2.0699999999999998 109.343 172.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' A' ' 537' ' ' ALA . 56.1 mtt -55.58 -45.38 77.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.022 -0.99 . . . . 0.25 110.975 175.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 537' ' ' ALA . 93.6 t -65.23 -51.17 68.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.839 -0.619 . . . . 0.23999999999999999 111.217 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -64.54 -33.01 74.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.77000000000000002 111.822 -175.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 18.7 m -83.39 -2.08 54.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.708 0.29 . . . . 1.22 111.435 -177.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 84.97 28.79 30.37 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.797 -0.716 . . . . 0.54000000000000004 113.13 176.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.63 ' HB3' HD13 ' A' ' 522' ' ' ILE . 64.0 m-85 -98.45 -51.02 4.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.152 0.501 . . . . 0.56000000000000005 110.601 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.547 HG11 ' HG3' ' A' ' 554' ' ' MET . 71.6 t -115.93 150.15 17.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.315 -0.857 . . . . 0.17000000000000001 110.83 -172.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.1 t -83.92 141.08 31.53 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.205 -0.665 . . . . 0.42999999999999999 109.205 176.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -14.06 40.47 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.783 0.66 . . . . 2.7200000000000002 112.783 -173.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -90.86 -13.95 58.59 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.504 -0.855 . . . . 0.32000000000000001 112.499 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' A' ' 554' ' ' MET . 15.9 m-20 -108.45 19.56 19.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.422 0.629 . . . . 1.23 110.128 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -60.28 -47.15 87.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.199 -0.909 . . . . 0.23999999999999999 110.983 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -56.28 -41.5 75.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.753 -0.658 . . . . 2.8999999999999999 110.959 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . 0.414 HG21 ' CD2' ' A' ' 512' ' ' LEU . 35.4 m -65.69 -44.68 85.45 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.841 -0.618 . . . . 0.34999999999999998 111.166 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.59 ' SD ' HD21 ' A' ' 504' ' ' LEU . 23.6 mmt -69.59 -45.5 68.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.203 -0.453 . . . . 0.14000000000000001 111.18 -176.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.67 -36.92 74.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.009 -0.541 . . . . 0.17000000000000001 110.48 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -65.4 -42.27 92.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.402 -0.817 . . . . 1.8300000000000001 110.519 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.551 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -62.1 -45.53 93.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.218 0.532 . . . . 0.17999999999999999 110.488 178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.531 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 86.1 mt -61.77 -49.41 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 115.294 -0.866 . . . . 0.17999999999999999 110.424 177.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.582 ' HG2' ' HG2' ' A' ' 533' ' ' PRO . 1.8 tmtt? -64.53 -44.26 91.42 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.706 -0.679 . . . . 2.2000000000000002 110.467 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -53.3 -50.5 64.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.126 -0.488 . . . . 1.03 111.238 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.657 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 6.7 tpt180 -64.17 -47.84 78.26 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 116.08 -0.509 . . . . 1.5700000000000001 110.657 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 558' ' ' ILE . 77.8 t -56.5 -32.97 37.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.764 -0.653 . . . . 0.23999999999999999 111.294 179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 53.5 m -64.48 -43.87 92.79 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 111.959 0.355 . . . . 0.83999999999999997 111.959 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 4.1 pp -74.5 -32.3 62.48 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.618 0.723 . . . . 1.7 109.952 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.461 HD13 ' CD1' ' A' ' 500' ' ' ILE . 72.9 mt -61.43 -47.28 94.15 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 114.92 -1.036 . . . . 0.57999999999999996 111.069 173.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 94.6 mttt -70.48 -26.9 63.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 0.88 111.001 177.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 564' ' ' LEU . 24.2 tpt180 -55.23 -32.06 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 3.0 110.34 177.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 572' ' ' ARG . 84.5 mttt -62.86 -59.71 4.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.639 -0.71 . . . . 3.4700000000000002 109.311 173.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -52.15 -40.89 62.04 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.287 -0.87 . . . . 3.0499999999999998 112.169 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 22.0 mm-40 -55.36 -30.0 59.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.842 -0.617 . . . . 2.1600000000000001 112.619 -176.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -123.66 29.55 6.53 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.78 -0.368 . . . . 5.2800000000000002 111.813 -175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 568' ' ' LYS . 93.3 mtt180 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.362 -0.828 . . . . 8.0299999999999994 110.235 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.687 0 N-CA-C 111.908 -0.477 . . . . 9.5 111.908 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' ' 481' ' ' GLU . . . 61.18 58.33 2.24 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.095 0.474 . . . . 7.3399999999999999 111.423 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -73.48 -29.83 62.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.993 -0.549 . . . . 10.949999999999999 109.943 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . 0.403 ' CG ' ' HB2' ' A' ' 481' ' ' GLU . 8.5 p-10 -105.32 140.72 21.41 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.867 -0.606 . . . . 6.7800000000000002 109.593 173.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -38.97 -59.25 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 124.715 3.61 . . . . 7.4500000000000002 115.242 -173.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -93.61 23.33 4.74 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 112.307 0.484 . . . . 7.3399999999999999 112.307 -171.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.477 ' HB3' ' HA ' ' A' ' 476' ' ' ALA . 0.7 OUTLIER -80.77 77.94 7.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.817 0.818 . . . . 6.0300000000000002 108.827 173.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -115.76 -60.64 1.85 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.649 -1.16 . . . . 5.9199999999999999 109.552 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 5.1 m -132.34 133.26 43.79 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.421 -0.809 . . . . 1.7 109.223 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.441 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -78.74 40.02 2.02 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 121.36 -0.448 . . . . 0.57999999999999996 113.653 -174.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.614 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -153.41 159.37 3.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 123.1 0.56 . . . . 0.35999999999999999 109.607 177.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.424 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 15.5 tpp180 -159.09 131.7 6.84 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.366 0.603 . . . . 2.96 110.289 177.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.594 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 46.4 t -104.13 137.1 34.4 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.411 -0.813 . . . . 0.23000000000000001 110.714 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.549 ' OE2' ' HD2' ' A' ' 505' ' ' ARG . 44.5 mt-10 -129.46 158.1 40.15 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.625 -0.716 . . . . 2.0099999999999998 110.517 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.535 HD23 HD23 ' A' ' 502' ' ' LEU . 76.3 mt -77.3 137.58 38.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.835 -0.621 . . . . 0.37 110.664 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.452 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -81.03 -18.32 47.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.41 0.624 . . . . 0.42999999999999999 110.221 175.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.445 ' OE2' ' HE2' ' A' ' 497' ' ' LYS . 10.0 pt-20 -141.5 168.65 19.26 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.277 -0.874 . . . . 2.02 109.776 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.43 115.21 14.85 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.215 -0.448 . . . . 2.3599999999999999 110.254 -178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . 0.436 ' HB3' HD13 ' A' ' 489' ' ' LEU . 28.5 t70 -106.79 95.24 5.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.187 0.518 . . . . 1.3700000000000001 111.405 -177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -141.04 1.43 1.64 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.725 -0.671 . . . . 3.3799999999999999 110.208 173.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -92.25 18.44 54.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.986 -0.626 . . . . 2.4500000000000002 112.801 -176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 56.51 45.15 22.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.884 0.849 . . . . 3.3500000000000001 109.981 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.445 ' HE2' ' OE2' ' A' ' 491' ' ' GLU . 21.7 mtpp -71.68 138.34 48.52 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 114.555 -1.202 . . . . 1.75 110.66 -175.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 25.2 mm -81.33 -32.47 12.09 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.554 0 CA-C-O 121.628 0.728 . . . . 0.68000000000000005 109.475 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -126.02 121.99 34.57 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.033 -0.985 . . . . 0.45000000000000001 110.524 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.476 ' CD1' HD13 ' A' ' 565' ' ' ILE . 10.5 pt -118.25 -174.64 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.866 0 CA-C-N 115.572 -0.74 . . . . 0.31 110.805 -174.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 30.2 ttpt -136.84 122.26 19.47 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.826 -0.625 . . . . 1.8100000000000001 109.952 177.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.594 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 28.1 mt -119.83 159.13 25.19 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.502 -0.772 . . . . 0.59999999999999998 110.967 -172.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.7 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.1 m95 -121.95 121.35 36.87 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.764 -0.458 . . . . 0.34000000000000002 109.764 169.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.615 HD21 ' SD ' ' A' ' 554' ' ' MET . 60.7 tp -78.88 96.19 5.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.123 -0.489 . . . . 0.28999999999999998 109.992 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.711 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 43.7 mtt180 -90.85 123.62 34.53 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.788 -0.642 . . . . 3.3300000000000001 110.43 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.584 HG21 HG22 ' A' ' 509' ' ' ILE . 18.8 mm -79.13 122.06 33.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.51000000000000001 110.175 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.441 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 6.9 mm-40 -86.12 -47.24 9.69 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.025 -0.534 . . . . 1.52 110.765 -179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.465 ' OD1' ' HG2' ' A' ' 511' ' ' LYS . 12.8 t70 -134.45 105.63 6.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.315 -0.402 . . . . 0.70999999999999996 110.188 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.584 HG22 HG21 ' A' ' 506' ' ' ILE . 2.0 pp -75.39 -9.23 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.70999999999999996 111.888 -177.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . 0.404 ' HB2' ' OD1' ' A' ' 508' ' ' ASP . 35.5 mmtp -81.86 -29.92 32.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 3.1499999999999999 110.375 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . 0.465 ' HG2' ' OD1' ' A' ' 508' ' ' ASP . 74.2 mmtt -68.8 -10.8 58.79 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.865 -0.607 . . . . 3.1899999999999999 110.954 176.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.406 HD11 HG23 ' A' ' 506' ' ' ILE . 15.8 mt -111.34 156.21 21.91 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.57999999999999996 110.649 -175.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -102.06 -16.13 16.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.207 -0.451 . . . . 3.2999999999999998 111.157 -175.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -78.23 -154.73 7.48 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.752 -0.737 . . . . 0.95999999999999996 113.147 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.31 105.17 12.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.714 -0.476 . . . . 3.5299999999999998 109.714 -177.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -136.73 149.09 47.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.987 0.422 . . . . 0.72999999999999998 110.53 -176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.462 ' HB2' ' HB2' ' A' ' 520' ' ' GLU . 49.3 mtmt -101.15 157.17 16.97 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.978 -0.555 . . . . 1.98 109.949 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -80.52 17.77 1.04 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.494 0.664 . . . . 2.29 111.73 -173.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -149.04 22.25 0.97 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 114.873 -1.058 . . . . 2.5600000000000001 109.073 178.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 16.0 tt0 -97.04 139.64 32.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.856 -0.611 . . . . 1.52 110.966 -173.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.711 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -143.55 132.13 22.37 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.199 -0.91 . . . . 0.42999999999999999 110.529 179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.511 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 89.4 mt -103.99 104.31 16.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-N 115.418 -0.81 . . . . 0.39000000000000001 110.654 -177.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.7 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 25.2 tt0 -71.25 128.49 36.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.658 -0.701 . . . . 0.59999999999999998 110.399 178.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . 0.41 ' CD2' HG11 ' A' ' 536' ' ' VAL . 39.9 p90 -149.41 140.95 23.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.174 -0.466 . . . . 0.23999999999999999 109.982 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 8.9 p -83.44 150.13 26.23 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.678 -0.49 . . . . 1.24 109.678 176.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -137.02 114.86 11.34 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 120.052 -0.659 . . . . 0.27000000000000002 110.955 -177.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.18 110.13 18.28 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 108.581 -0.896 . . . . 0.57999999999999996 108.581 171.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.48 ' CD2' HG13 ' A' ' 562' ' ' VAL . 86.4 mt -63.57 -20.03 65.3 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.154 -0.475 . . . . 0.51000000000000001 112.113 -172.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -96.47 -46.97 6.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.433 -0.349 . . . . 2.1800000000000002 111.586 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 82.6 mtm180 -90.04 -38.24 13.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.053 0.761 . . . . 4.0999999999999996 113.053 -174.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -83.59 152.93 24.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.493 0.663 . . . . 0.60999999999999999 112.041 -172.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 76.0 t -126.93 131.89 24.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.086 -0.961 . . . . 0.28000000000000003 109.718 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -54.2 -39.5 86.07 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.574 2.849 . . . . 0.23999999999999999 113.648 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -74.03 -25.26 59.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.667 0.27 . . . . 2.3399999999999999 111.198 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -72.51 -48.04 43.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.412 0.625 . . . . 1.0900000000000001 109.703 177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.41 HG11 ' CD2' ' A' ' 524' ' ' PHE . 97.8 t -62.48 -40.67 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.164 -0.925 . . . . 0.28000000000000003 111.169 -177.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.28 -17.3 64.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.394 -0.367 . . . . 0.17000000000000001 111.216 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -78.05 -40.7 37.91 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 110.129 -0.323 . . . . 1.0800000000000001 110.129 174.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -57.19 -41.7 79.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.997 -0.742 . . . . 2.0699999999999998 108.997 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.445 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 56.2 mtt -55.14 -42.09 72.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.844 -1.071 . . . . 0.25 111.335 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.6 t -70.2 -46.76 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.005 -0.543 . . . . 0.23999999999999999 111.039 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.09 -34.62 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.47 . . . . 0.77000000000000002 111.636 -175.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 23.4 m -75.6 -9.6 58.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.66 0.267 . . . . 1.22 111.431 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 92.25 16.01 51.68 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.725 -0.75 . . . . 0.54000000000000004 113.041 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.46 ' HB3' HD13 ' A' ' 522' ' ' ILE . 44.2 m-85 -90.97 -52.44 4.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.344 0.592 . . . . 0.56000000000000005 110.889 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.647 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 73.2 t -111.64 148.05 15.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.463 -0.79 . . . . 0.17000000000000001 110.484 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.0 t -82.16 140.49 33.72 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.244 -0.65 . . . . 0.42999999999999999 109.244 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.459 ' HB2' HG11 ' A' ' 541' ' ' VAL . 13.3 tm-20 -56.32 -32.33 64.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.933 -0.576 . . . . 2.7200000000000002 110.694 -178.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -64.92 -32.65 84.91 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.7 -0.762 . . . . 0.32000000000000001 112.216 177.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -89.16 7.88 32.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.367 . . . . 1.23 111.026 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 -54.99 -39.4 68.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.04 -0.527 . . . . 0.23999999999999999 111.376 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . 0.538 ' HD3' ' H ' ' A' ' 552' ' ' LYS . 0.1 OUTLIER -66.72 -43.61 83.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.04 0.447 . . . . 2.8999999999999999 110.483 -177.251 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 59.3 m -65.1 -44.98 87.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.312 -0.858 . . . . 0.34999999999999998 111.051 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.615 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.4 mmt -67.41 -47.03 71.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.963 -0.562 . . . . 0.14000000000000001 110.938 -177.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.51 -30.79 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.18 -0.464 . . . . 0.17000000000000001 110.753 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.44 ' O ' ' HD2' ' A' ' 556' ' ' LYS . 0.0 OUTLIER -72.78 -37.6 67.54 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.379 -0.6 . . . . 1.8300000000000001 109.379 177.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.614 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.61 -46.93 88.4 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.17 0.509 . . . . 0.17999999999999999 109.844 174.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 554' ' ' MET . 59.1 mt -59.89 -53.62 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 CA-C-N 114.997 -1.001 . . . . 0.17999999999999999 110.026 177.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -61.03 -40.35 93.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.849 -0.614 . . . . 2.2000000000000002 111.032 -176.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . 0.41 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 9.2 t0 -54.96 -52.83 61.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.089 -0.505 . . . . 1.03 110.296 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -67.16 -47.78 69.98 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.407 -0.815 . . . . 1.5700000000000001 110.813 -178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 558' ' ' ILE . 79.2 t -58.15 -39.34 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.969 -0.559 . . . . 0.23999999999999999 111.394 -178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 8.0 t -62.06 -40.93 97.45 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.263 -0.426 . . . . 0.83999999999999997 110.217 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 76.2 mt -68.79 -38.97 80.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.387 0.613 . . . . 1.7 110.319 178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.476 HD13 ' CD1' ' A' ' 500' ' ' ILE . 81.3 mt -60.09 -44.16 94.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.121 -0.945 . . . . 0.57999999999999996 110.967 176.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 39.2 mttm -71.35 -33.27 69.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.584 -0.735 . . . . 0.88 110.984 175.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.452 ' HD3' ' O ' ' A' ' 567' ' ' ARG . 0.1 OUTLIER -63.59 -34.55 78.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.667 -0.494 . . . . 3.0 109.667 177.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.84 -40.54 93.24 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.876 -0.602 . . . . 3.4700000000000002 109.859 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -70.5 -23.81 62.73 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.866 -0.606 . . . . 3.0499999999999998 112.343 177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -76.27 -11.72 59.96 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.186 0.517 . . . . 2.1600000000000001 110.666 177.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -128.84 -160.26 1.02 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.564 -0.902 . . . . 5.2800000000000002 108.564 172.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 56.9 mtp180 . . . . . 0 C--O 1.252 1.208 0 CA-C-O 118.487 -0.768 . . . . 8.0299999999999994 110.252 176.441 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 112.646 -0.181 . . . . 9.5 112.646 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -176.87 179.73 1.03 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.016 -0.735 . . . . 7.3399999999999999 109.016 177.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 60.7 ttp -70.9 -59.45 2.79 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.343 -0.984 . . . . 10.949999999999999 108.343 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -72.99 142.85 83.33 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 114.885 -1.052 . . . . 6.7800000000000002 109.596 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -59.67 54.01 0.07 OUTLIER 'Trans proline' 0 N--CA 1.48 0.713 0 C-N-CA 124.396 3.397 . . . . 7.4500000000000002 114.438 177.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -130.82 57.43 1.74 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.207 -0.664 . . . . 7.3399999999999999 109.207 176.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.505 ' H ' ' CD ' ' A' ' 481' ' ' GLU . 3.7 mp0 -40.6 99.28 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 114.166 -1.379 . . . . 6.0300000000000002 112.561 -177.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -94.62 -47.64 6.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.219 -0.446 . . . . 5.9199999999999999 110.331 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.433 ' HB ' HG23 ' A' ' 485' ' ' VAL . 0.1 OUTLIER -162.65 -38.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.397 0.618 . . . . 1.7 111.131 -178.137 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 94.68 3.34 62.62 Favored Glycine 0 CA--C 1.504 -0.601 0 N-CA-C 110.233 -1.147 . . . . 0.57999999999999996 110.233 -171.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.63 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -149.04 154.62 9.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 114.465 -0.868 . . . . 0.35999999999999999 109.85 -179.442 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 20.0 tpp180 -156.97 135.63 11.55 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.344 0.593 . . . . 2.96 110.646 176.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 47.2 t -109.69 136.59 45.16 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.375 -0.829 . . . . 0.23000000000000001 110.555 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.442 ' OE2' ' HD2' ' A' ' 505' ' ' ARG . 39.5 mt-10 -132.83 162.16 32.25 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.395 -0.821 . . . . 2.0099999999999998 110.161 -176.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.562 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 84.8 mt -84.11 141.49 31.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.976 -0.556 . . . . 0.37 111.675 -174.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -88.83 -11.31 45.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.576 -0.738 . . . . 0.42999999999999999 109.478 171.2 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.562 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 13.2 pt-20 -154.43 167.48 29.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.113 -0.949 . . . . 2.02 109.457 -176.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -74.79 122.59 23.54 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.463 -0.335 . . . . 2.3599999999999999 110.568 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 28.2 p-10 -74.66 86.1 2.14 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-O 121.735 0.779 . . . . 1.3700000000000001 111.246 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -55.72 -54.24 46.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 114.971 -1.013 . . . . 3.3799999999999999 111.474 178.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 122.96 -33.34 4.1 Favored Glycine 0 N--CA 1.443 -0.856 0 C-N-CA 120.492 -0.861 . . . . 2.4500000000000002 113.175 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -74.67 -19.51 60.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.655 0.741 . . . . 3.3500000000000001 109.32 176.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.534 ' HE2' ' OE1' ' A' ' 491' ' ' GLU . 25.7 mtpp -61.5 135.96 57.85 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-N 114.647 -1.161 . . . . 1.75 110.886 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 36.6 mm -91.5 -39.58 11.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 N-CA-C 109.317 -0.623 . . . . 0.68000000000000005 109.317 174.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . 0.473 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -120.31 121.43 38.62 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.44 -0.8 . . . . 0.45000000000000001 110.992 -177.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.54 ' CD1' HD13 ' A' ' 565' ' ' ILE . 14.9 pt -114.6 -177.82 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.404 -0.816 . . . . 0.31 110.488 -177.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.517 ' HD2' ' CG ' ' A' ' 523' ' ' GLU . 4.0 tppp? -123.29 121.84 36.86 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.254 -0.43 . . . . 1.8100000000000001 110.421 177.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.54 HD23 HD23 ' A' ' 489' ' ' LEU . 25.9 mt -119.66 157.84 27.66 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.712 -0.676 . . . . 0.59999999999999998 110.483 -178.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.629 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.3 m95 -121.76 128.88 52.24 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.765 -0.458 . . . . 0.34000000000000002 109.765 170.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.591 HD21 ' SD ' ' A' ' 554' ' ' MET . 57.1 tp -89.9 109.06 20.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.111 -0.495 . . . . 0.28999999999999998 110.672 178.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.527 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 58.3 mtt85 -102.76 140.53 36.92 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.237 -0.438 . . . . 3.3300000000000001 110.567 177.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.456 HG21 HG22 ' A' ' 509' ' ' ILE . 20.2 mm -93.66 126.78 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.366 -0.379 . . . . 0.51000000000000001 110.607 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 31.7 mm-40 -87.0 -29.45 21.97 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.928 -0.578 . . . . 1.52 111.007 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.443 ' CG ' ' HG2' ' A' ' 511' ' ' LYS . 23.3 t0 -147.06 90.59 1.91 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.98 -0.554 . . . . 0.70999999999999996 110.029 -177.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.456 HG22 HG21 ' A' ' 506' ' ' ILE . 2.5 pp -73.53 -10.52 13.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.299 -0.409 . . . . 0.70999999999999996 111.136 -177.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.16 -25.94 36.45 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.992 -0.549 . . . . 3.1499999999999999 111.144 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . 0.443 ' HG2' ' CG ' ' A' ' 508' ' ' ASP . 46.0 mmtm -83.46 -24.2 31.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.894 0.378 . . . . 3.1899999999999999 111.255 -178.396 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 36.1 mt -81.71 159.19 23.97 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.942 -0.572 . . . . 0.57999999999999996 110.394 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -112.12 66.32 0.64 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.688 0.756 . . . . 3.2999999999999998 109.492 176.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.21 -170.62 25.04 Favored Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.033 -0.985 . . . . 0.95999999999999996 110.731 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -106.48 101.66 11.11 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 117.165 0.483 . . . . 3.5299999999999998 110.784 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -136.03 145.66 46.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.628 -0.714 . . . . 0.72999999999999998 109.733 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.473 ' C ' ' H ' ' A' ' 519' ' ' ASN . 9.1 mptt -90.98 156.58 17.85 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.234 -0.654 . . . . 1.98 109.234 176.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -77.93 35.72 0.21 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.85 0.833 . . . . 2.29 110.709 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.473 ' H ' ' C ' ' A' ' 517' ' ' LYS . 27.3 t-20 -174.95 37.21 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.543 -1.208 . . . . 2.5600000000000001 108.09 -178.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -105.22 135.12 47.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.343 -0.844 . . . . 1.52 109.986 -177.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.563 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -135.96 118.93 16.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.72 -0.673 . . . . 0.42999999999999999 110.58 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.579 HD13 ' HB3' ' A' ' 545' ' ' TYR . 95.0 mt -95.14 105.0 16.44 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 CA-C-N 114.922 -1.035 . . . . 0.39000000000000001 110.484 -179.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.629 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 19.6 tt0 -72.27 126.74 30.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.141 -0.481 . . . . 0.59999999999999998 110.267 178.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . 0.466 ' CD2' HG11 ' A' ' 536' ' ' VAL . 36.3 p90 -146.28 145.1 30.24 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.948 -0.39 . . . . 0.23999999999999999 109.948 178.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 32.5 p -88.94 149.53 23.27 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.699 -0.482 . . . . 1.24 109.699 176.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 29.4 t80 -130.29 116.61 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.412 -0.515 . . . . 0.27000000000000002 110.707 -178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.461 ' HB3' ' H ' ' A' ' 531' ' ' ASP . 10.7 t70 -84.58 109.42 17.94 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.807 -0.812 . . . . 0.57999999999999996 108.807 173.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.449 HD23 ' CD1' ' A' ' 526' ' ' PHE . 59.7 mt -68.16 -9.03 43.67 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.863 -0.608 . . . . 0.51000000000000001 112.209 -172.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -105.78 -50.44 3.19 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.828 0.347 . . . . 2.1800000000000002 110.944 176.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -86.37 -50.38 6.95 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.537 0.569 . . . . 4.0999999999999996 112.537 -174.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . 0.461 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 51.3 m-20 -72.32 147.82 45.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.325 0.583 . . . . 0.60999999999999999 111.388 -173.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.407 HG13 ' HD2' ' A' ' 533' ' ' PRO . 70.3 t -120.41 140.27 29.99 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.289 -0.869 . . . . 0.28000000000000003 109.098 176.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.407 ' HD2' HG13 ' A' ' 532' ' ' VAL . 72.9 Cg_exo -51.94 -49.1 18.43 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.063 1.842 . . . . 0.23999999999999999 112.249 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.71 -30.21 70.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.412 -0.358 . . . . 2.3399999999999999 111.453 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.14 -46.01 62.43 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.117 0.484 . . . . 1.0900000000000001 110.143 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.71 ' O ' ' HG3' ' A' ' 539' ' ' GLU . 89.2 t -64.43 -37.37 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.701 -0.681 . . . . 0.28000000000000003 110.42 178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.628 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -67.0 -14.52 62.97 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.601 -0.44 . . . . 0.17000000000000001 110.938 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.41 ' HG2' ' NE2' ' A' ' 551' ' ' HIS . 9.8 mm100 -84.81 -42.41 15.16 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.827 -0.169 . . . . 1.0800000000000001 110.692 174.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . 0.71 ' HG3' ' O ' ' A' ' 536' ' ' VAL . 0.0 OUTLIER -67.0 -28.92 68.65 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.527 -0.545 . . . . 2.0699999999999998 109.527 176.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 52.5 mtt -58.67 -45.75 88.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.431 -0.804 . . . . 0.25 110.469 170.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 537' ' ' ALA . 86.1 t -65.2 -50.26 74.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.473 -0.785 . . . . 0.23999999999999999 110.936 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.31 -36.05 74.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.31 -0.404 . . . . 0.77000000000000002 111.449 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 20.2 m -80.87 -1.51 43.58 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.4 -0.364 . . . . 1.22 111.535 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 88.54 0.7 81.76 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.952 -0.642 . . . . 0.54000000000000004 113.537 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.579 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.8 m-85 -70.54 -62.15 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.169 0.509 . . . . 0.56000000000000005 110.568 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.616 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 95.8 t -101.05 148.28 7.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.615 -0.721 . . . . 0.17000000000000001 110.294 -177.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 37.9 t -90.27 139.01 31.07 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.335 -0.987 . . . . 0.42999999999999999 108.335 173.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.589 ' HB2' HG11 ' A' ' 541' ' ' VAL . 34.3 tt0 -66.55 -11.72 54.25 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.277 0.473 . . . . 2.7200000000000002 112.277 -168.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -79.13 -17.63 76.26 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.781 -0.723 . . . . 0.32000000000000001 112.038 176.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -113.28 24.31 12.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.531 0.681 . . . . 1.23 109.549 178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . 0.41 ' NE2' ' HG2' ' A' ' 538' ' ' GLN . 18.4 t-80 -61.92 -44.87 95.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.87 -1.059 . . . . 0.23999999999999999 111.631 -176.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -67.72 -39.7 84.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.292 . . . . 2.8999999999999999 110.87 -175.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 69.5 m -56.74 -45.67 81.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.817 -0.629 . . . . 0.34999999999999998 110.917 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.591 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.8 mmt -67.58 -47.45 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.514 . . . . 0.14000000000000001 110.833 -178.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -59.46 -37.52 78.37 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.606 -0.724 . . . . 0.17000000000000001 111.368 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.54 -40.06 92.48 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.128 -0.487 . . . . 1.8300000000000001 110.108 178.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.63 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -59.67 -46.46 88.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.327 0.584 . . . . 0.17999999999999999 110.185 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 554' ' ' MET . 59.0 mt -59.83 -52.33 62.31 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 114.905 -1.043 . . . . 0.17999999999999999 110.33 178.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -61.08 -39.18 88.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.851 -0.613 . . . . 2.2000000000000002 111.081 -177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -65.04 -35.58 81.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 1.03 110.89 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 561' ' ' ARG . 8.4 tpt180 -76.31 -45.6 31.6 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.904 0.383 . . . . 1.5700000000000001 110.403 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 558' ' ' ILE . 95.9 t -59.38 -27.75 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 115.748 -0.66 . . . . 0.23999999999999999 110.511 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.59 ' O ' ' HG2' ' A' ' 567' ' ' ARG . 22.8 t -56.76 -51.11 70.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.108 -0.497 . . . . 0.83999999999999997 110.444 174.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.23 -38.7 90.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.547 0.689 . . . . 1.7 110.762 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.54 HD13 ' CD1' ' A' ' 500' ' ' ILE . 57.4 mt -68.77 -45.85 80.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.124 -0.944 . . . . 0.57999999999999996 111.411 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 94.5 mttt -67.84 -24.26 65.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.139 -0.482 . . . . 0.88 111.594 179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 563' ' ' SER . 33.7 mmt180 -58.79 -34.27 71.28 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.779 0.323 . . . . 3.0 110.944 176.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -77.86 -32.41 51.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 3.4700000000000002 110.087 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' A' ' 569' ' ' ARG . 4.7 mtp85 -69.72 -35.23 74.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.688 -0.687 . . . . 3.0499999999999998 110.812 176.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 30.8 mm-40 -65.19 -25.59 67.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.744 -0.662 . . . . 2.1600000000000001 110.717 176.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 75.05 -53.76 0.66 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.321 -0.854 . . . . 5.2800000000000002 111.05 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 . . . . . 0 C--N 1.307 -1.248 0 CA-C-N 115.404 -0.816 . . . . 8.0299999999999994 109.639 177.362 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.899 -0.481 . . . . 9.5 111.899 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -103.15 82.08 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.91 0.386 . . . . 7.3399999999999999 110.383 177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -60.28 -45.16 94.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.839 -0.619 . . . . 10.949999999999999 110.724 -178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . 0.473 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 6.2 p-10 -71.72 128.48 89.59 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 109.66 -0.496 . . . . 6.7800000000000002 109.66 175.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 51.8 Cg_exo -58.41 84.02 0.05 OUTLIER 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.726 2.95 . . . . 7.4500000000000002 113.253 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -125.28 -9.24 6.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.161 -0.472 . . . . 7.3399999999999999 110.655 174.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 54.46 87.12 0.05 OUTLIER 'General case' 0 C--O 1.231 0.101 0 O-C-N 123.785 0.678 . . . . 6.0300000000000002 110.913 -176.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . 0.465 ' HG3' HH21 ' A' ' 486' ' ' ARG . 12.0 tp10 -78.92 60.99 3.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.946 -0.57 . . . . 5.9199999999999999 109.976 179.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 33.6 m 70.58 -23.03 0.17 Allowed 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.843 -0.617 . . . . 1.7 112.062 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 482' ' ' GLU . . . 98.92 -0.63 57.66 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.104 -0.799 . . . . 0.57999999999999996 111.104 -178.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.566 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 1.2 m -142.86 154.24 17.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.321 -0.439 . . . . 0.35999999999999999 111.229 178.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.465 HH21 ' HG3' ' A' ' 482' ' ' GLU . 13.8 tpp180 -158.87 133.93 8.33 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.637 0.732 . . . . 2.96 111.464 177.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 43.5 t -109.74 134.98 50.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.176 -0.92 . . . . 0.23000000000000001 110.217 179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.418 ' OE1' ' HD2' ' A' ' 505' ' ' ARG . 44.6 mt-10 -130.78 156.78 44.4 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.734 -0.666 . . . . 2.0099999999999998 110.706 -176.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.463 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 43.3 mt -79.8 133.48 36.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.765 -0.652 . . . . 0.37 110.635 -177.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.579 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -81.0 -18.51 46.61 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.547 0.689 . . . . 0.42999999999999999 109.679 174.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 11.2 pt-20 -137.66 156.67 47.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 114.577 -1.192 . . . . 2.02 109.055 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . 0.404 ' H ' ' HG2' ' A' ' 492' ' ' GLU . 7.4 pt-20 -69.36 115.71 8.94 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.931 -0.577 . . . . 2.3599999999999999 110.378 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.14 136.14 56.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.137 0.494 . . . . 1.3700000000000001 110.729 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . 0.659 ' H ' ' HD2' ' A' ' 497' ' ' LYS . 36.5 m-20 -104.0 -15.79 15.5 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.215 -0.902 . . . . 3.3799999999999999 110.372 -173.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 569' ' ' ARG . . . 109.28 -69.88 0.21 Allowed Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.347 -0.93 . . . . 2.4500000000000002 113.144 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -83.29 26.31 0.66 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.491 0.662 . . . . 3.3500000000000001 111.046 -174.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.659 ' HD2' ' H ' ' A' ' 494' ' ' ASP . 26.2 mtpp -77.1 137.48 38.95 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 115.613 -0.721 . . . . 1.75 110.378 177.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 40.8 mm -97.59 -35.95 5.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.201 0.524 . . . . 0.68000000000000005 109.922 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -133.23 120.87 21.68 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.564 -0.743 . . . . 0.45000000000000001 110.549 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.518 ' CD1' HD13 ' A' ' 565' ' ' ILE . 10.5 pt -115.34 -178.97 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 115.413 -0.812 . . . . 0.31 110.884 -174.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -125.29 113.32 17.45 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.08 -0.509 . . . . 1.8100000000000001 109.753 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.465 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 29.9 mt -114.21 158.18 21.7 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.714 -0.676 . . . . 0.59999999999999998 110.49 -176.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.679 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.5 m95 -120.68 118.98 31.49 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.717 -0.475 . . . . 0.34000000000000002 109.717 169.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.553 HD21 ' SD ' ' A' ' 554' ' ' MET . 49.9 tp -75.69 107.41 7.84 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.593 -0.521 . . . . 0.28999999999999998 109.593 175.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.569 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 61.9 mtt180 -110.7 151.97 27.09 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 116.11 -0.496 . . . . 3.3300000000000001 110.672 -178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.503 HG21 HG22 ' A' ' 509' ' ' ILE . 13.3 mm -103.41 125.65 57.91 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.005 -0.543 . . . . 0.51000000000000001 110.878 -175.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.434 ' HB2' ' CA ' ' A' ' 484' ' ' GLY . 6.2 mm-40 -79.27 -40.61 30.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.224 0.535 . . . . 1.52 110.246 178.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.434 ' CG ' ' HG2' ' A' ' 511' ' ' LYS . 8.7 t0 -143.15 97.52 3.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.432 -0.804 . . . . 0.70999999999999996 109.777 -175.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.503 HG22 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -73.78 -6.0 7.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.995 -0.548 . . . . 0.70999999999999996 112.157 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -91.56 -17.42 25.65 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.845 0.355 . . . . 3.1499999999999999 111.17 -178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . 0.434 ' HG2' ' CG ' ' A' ' 508' ' ' ASP . 26.4 mmtp -86.14 -10.34 54.99 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.284 0.564 . . . . 3.1899999999999999 110.468 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.423 HD11 HG23 ' A' ' 506' ' ' ILE . 47.1 mt -95.68 164.28 12.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.501 -0.772 . . . . 0.57999999999999996 109.953 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.1 tptt -98.0 -32.3 11.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.317 0.58 . . . . 3.2999999999999998 109.974 178.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -67.62 170.21 36.17 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.521 -0.763 . . . . 0.95999999999999996 113.26 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -90.93 118.69 30.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.838 0.351 . . . . 3.5299999999999998 110.294 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -139.43 176.67 8.52 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.796 0.331 . . . . 0.72999999999999998 110.305 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.47 ' C ' ' H ' ' A' ' 519' ' ' ASN . 52.4 mtpt -118.7 154.43 32.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.787 -0.642 . . . . 1.98 110.103 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -78.94 37.39 0.3 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.982 0.896 . . . . 2.29 110.371 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.47 ' H ' ' C ' ' A' ' 517' ' ' LYS . 66.2 t30 179.42 42.32 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.249 -1.341 . . . . 2.5600000000000001 107.417 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . 0.412 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 8.9 tp10 -103.14 137.68 40.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.843 -1.071 . . . . 1.52 110.209 -172.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.569 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -145.6 137.74 25.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.441 0.638 . . . . 0.42999999999999999 111.158 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.541 HD13 ' HB3' ' A' ' 545' ' ' TYR . 67.7 mt -119.5 102.89 13.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 CA-C-N 114.937 -1.029 . . . . 0.39000000000000001 110.024 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.679 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.7 tt0 -71.52 130.65 41.8 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.957 -0.565 . . . . 0.59999999999999998 110.274 179.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -151.47 142.06 22.67 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.422 -0.354 . . . . 0.23999999999999999 110.308 178.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' A' ' 500' ' ' ILE . 11.8 t -83.18 145.63 29.08 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.342 -0.614 . . . . 1.24 109.342 175.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . 0.471 ' O ' ' HA ' ' A' ' 499' ' ' ALA . 30.0 t80 -130.19 118.34 21.27 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.476 -0.49 . . . . 0.27000000000000002 110.7 179.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -86.58 108.63 18.67 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.726 -0.842 . . . . 0.57999999999999996 108.726 172.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.04 -20.04 65.64 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.876 -0.602 . . . . 0.51000000000000001 112.041 -172.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -97.26 -36.88 10.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.504 -0.316 . . . . 2.1800000000000002 111.425 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -99.58 -47.46 5.1 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.762 0.653 . . . . 4.0999999999999996 112.762 -175.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -73.69 146.79 44.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.493 0.663 . . . . 0.60999999999999999 112.567 -169.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.615 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 75.5 t -117.3 126.56 27.32 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 114.792 -1.095 . . . . 0.28000000000000003 109.189 178.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.446 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 48.8 Cg_exo -55.77 -38.79 93.96 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.404 2.736 . . . . 0.23999999999999999 113.033 -174.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -67.71 -36.81 81.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.03 0.443 . . . . 2.3399999999999999 110.584 177.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.615 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 0.1 OUTLIER -72.64 -35.07 67.68 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.752 -0.658 . . . . 1.0900000000000001 110.567 -179.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 93.4 t -68.19 -43.37 84.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.772 -0.649 . . . . 0.28000000000000003 110.335 176.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -63.29 -24.43 67.86 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.677 -0.409 . . . . 0.17000000000000001 110.386 177.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 10.2 mm100 -68.46 -49.67 58.16 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 116.438 -0.347 . . . . 1.0800000000000001 110.691 174.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . 0.492 ' HG2' ' O ' ' A' ' 536' ' ' VAL . 12.8 pt-20 -66.2 -27.41 67.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.792 -0.447 . . . . 2.0699999999999998 109.792 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . . . . . . . . . 52.9 mtt -59.59 -47.94 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.648 -0.705 . . . . 0.25 110.569 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 537' ' ' ALA . 66.0 t -64.43 -48.34 85.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.866 -0.606 . . . . 0.23999999999999999 110.718 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -61.42 -32.02 71.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.944 -0.571 . . . . 0.77000000000000002 111.878 -176.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 28.3 m -87.22 2.74 49.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.816 0.341 . . . . 1.22 111.505 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 81.73 15.25 76.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.856 -0.688 . . . . 0.54000000000000004 113.19 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.541 ' HB3' HD13 ' A' ' 522' ' ' ILE . 52.7 m-85 -85.49 -52.52 5.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.091 0.472 . . . . 0.56000000000000005 110.41 178.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 69.2 t -112.32 151.47 14.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.519 -0.764 . . . . 0.17000000000000001 110.649 -175.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 43.5 t -86.02 139.14 31.42 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.285 -0.635 . . . . 0.42999999999999999 109.285 175.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.444 ' HB2' HG11 ' A' ' 541' ' ' VAL . 11.2 tp10 -60.45 -26.75 66.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.748 -0.66 . . . . 2.7200000000000002 111.396 -176.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.26 -16.15 80.76 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.764 -0.732 . . . . 0.32000000000000001 112.616 177.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 47.9 m-20 -113.15 15.35 19.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.164 0.507 . . . . 1.23 110.122 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -58.5 -46.16 87.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.456 -0.793 . . . . 0.23999999999999999 110.995 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -57.68 -46.33 84.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 2.8999999999999999 110.924 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 37.4 m -58.59 -43.01 89.37 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.348 -0.842 . . . . 0.34999999999999998 111.317 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.587 ' O ' HG13 ' A' ' 558' ' ' ILE . 23.0 mmt -70.73 -46.88 62.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.344 -0.389 . . . . 0.14000000000000001 110.923 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.0 80.3 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.996 -0.547 . . . . 0.17000000000000001 110.89 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 6.9 tmtm? -64.87 -43.39 93.11 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.196 -0.668 . . . . 1.8300000000000001 109.196 176.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.566 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -57.58 -46.04 84.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.073 -0.512 . . . . 0.17999999999999999 110.381 176.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.587 HG13 ' O ' ' A' ' 554' ' ' MET . 62.2 mt -60.91 -49.03 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.203 -0.908 . . . . 0.17999999999999999 109.991 177.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -62.97 -39.72 95.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.818 -0.628 . . . . 2.2000000000000002 111.009 -176.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -59.7 -44.81 93.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.849 0.357 . . . . 1.03 110.221 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.428 ' HD2' ' HA ' ' A' ' 561' ' ' ARG . 8.3 tpt180 -69.62 -46.74 65.53 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.087 -0.506 . . . . 1.5700000000000001 110.473 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 558' ' ' ILE . 99.5 t -62.07 -36.53 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 116.113 -0.494 . . . . 0.23999999999999999 111.291 -177.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 14.3 t -62.33 -40.71 97.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.148 0.499 . . . . 0.83999999999999997 110.094 177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 90.9 mt -67.86 -41.38 82.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.619 -0.719 . . . . 1.7 110.513 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.518 HD13 ' CD1' ' A' ' 500' ' ' ILE . 94.9 mt -63.72 -45.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.197 -0.911 . . . . 0.57999999999999996 111.144 177.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 88.1 mttt -68.25 -24.22 64.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.871 -0.604 . . . . 0.88 111.664 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -61.0 -34.1 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.063 0.459 . . . . 3.0 109.953 174.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 -38.13 82.02 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.766 -0.652 . . . . 3.4700000000000002 109.689 175.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 495' ' ' GLY . 47.0 mtp180 -69.76 -30.92 68.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.465 -0.789 . . . . 3.0499999999999998 111.763 178.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 18.8 mm-40 -60.83 -46.0 92.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.73 -0.668 . . . . 2.1600000000000001 111.407 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 69.09 140.08 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.339 0 O-C-N 123.898 0.749 . . . . 5.2800000000000002 110.731 -178.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 . . . . . 0 C--O 1.25 1.11 0 CA-C-N 115.767 -0.651 . . . . 8.0299999999999994 110.779 -177.381 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.844 0 N-CA-C 111.805 -0.518 . . . . 9.5 111.805 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -96.45 110.74 23.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.761 0.315 . . . . 7.3399999999999999 110.621 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 49.5 ttm -80.64 -26.2 37.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.038 0.447 . . . . 10.949999999999999 110.11 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 36.7 m-20 -108.73 139.94 21.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.92 -0.582 . . . . 6.7800000000000002 110.694 179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 25.3 Cg_exo -65.77 -2.89 7.14 Favored 'Trans proline' 0 CA--C 1.526 0.119 0 C-N-CA 123.997 3.131 . . . . 7.4500000000000002 112.202 175.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -70.03 -36.91 75.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.873 -0.603 . . . . 7.3399999999999999 110.83 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -90.23 143.25 26.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.066 0.46 . . . . 6.0300000000000002 110.389 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 553' ' ' THR . 9.1 pt-20 -93.24 85.54 5.06 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.55 0.691 . . . . 5.9199999999999999 109.963 179.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.415 ' HB ' ' H ' ' A' ' 484' ' ' GLY . 3.0 m -119.22 -109.74 0.35 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.858 -0.61 . . . . 1.7 110.554 178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.415 ' H ' ' HB ' ' A' ' 483' ' ' THR . . . 62.81 34.12 88.88 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.192 -1.004 . . . . 0.57999999999999996 111.368 -173.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.545 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.3 OUTLIER -151.74 155.26 7.12 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 C-N-CA 123.353 0.661 . . . . 0.35999999999999999 110.083 -175.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.405 ' HD2' ' H ' ' A' ' 487' ' ' VAL . 26.1 tpt180 -155.37 138.39 15.48 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-O 121.286 0.565 . . . . 2.96 110.968 176.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.426 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 59.9 t -114.6 126.92 72.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-N 115.264 -0.88 . . . . 0.23000000000000001 110.573 -175.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -128.7 152.04 48.85 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.428 -0.805 . . . . 2.0099999999999998 111.226 -174.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.57 HD23 ' CD1' ' A' ' 502' ' ' LEU . 46.2 mt -72.89 139.89 47.17 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.669 -0.696 . . . . 0.37 110.123 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.453 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -82.04 -23.87 35.64 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.379 0.609 . . . . 0.42999999999999999 109.661 174.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 -169.93 2.22 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.286 -0.87 . . . . 2.02 110.535 -179.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -89.98 108.95 20.03 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.912 -0.586 . . . . 2.3599999999999999 110.594 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . 0.496 ' HB3' HD13 ' A' ' 489' ' ' LEU . 22.4 t70 -124.3 123.73 40.85 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.57 -0.452 . . . . 1.3700000000000001 111.364 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -160.77 19.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.442 -0.799 . . . . 3.3799999999999999 109.348 173.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -117.73 -120.31 3.04 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.58 -0.819 . . . . 2.4500000000000002 113.083 -174.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -132.37 25.71 4.48 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.778 -0.211 . . . . 3.3500000000000001 111.553 -172.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.51 ' HB2' ' NH2' ' A' ' 569' ' ' ARG . 95.4 mttt -57.31 137.09 56.46 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 110.255 -0.276 . . . . 1.75 110.255 176.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 32.7 mm -90.96 -29.78 4.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.213 0.53 . . . . 0.68000000000000005 109.816 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -131.86 118.05 19.33 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.346 0.593 . . . . 0.45000000000000001 110.826 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.578 ' CD1' HD13 ' A' ' 565' ' ' ILE . 11.1 pt -117.82 -171.87 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-N 115.109 -0.95 . . . . 0.31 110.277 -175.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 525' ' ' SER . 7.8 ttpm? -141.74 108.37 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.885 0.374 . . . . 1.8100000000000001 111.087 179.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.57 ' CD1' HD23 ' A' ' 489' ' ' LEU . 1.9 mm? -95.63 167.21 11.43 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.321 0.582 . . . . 0.59999999999999998 111.661 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.727 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.4 m95 -123.19 120.68 33.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.028 -0.987 . . . . 0.34000000000000002 109.286 165.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.566 ' HB3' ' HB ' ' A' ' 522' ' ' ILE . 50.9 tp -83.09 104.31 13.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.444 -0.344 . . . . 0.28999999999999998 110.49 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.445 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 41.3 mtm105 -90.17 132.36 35.51 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.26 -0.427 . . . . 3.3300000000000001 110.469 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.605 HG21 HG22 ' A' ' 509' ' ' ILE . 16.6 mm -87.73 113.64 25.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 109.428 -0.582 . . . . 0.51000000000000001 109.428 175.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.11 -54.1 5.56 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.13 -0.486 . . . . 1.52 111.047 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -129.25 99.74 5.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.947 -0.569 . . . . 0.70999999999999996 110.27 -175.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.605 HG22 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -75.26 -10.34 13.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.519 -0.764 . . . . 0.70999999999999996 111.838 -176.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -81.87 -14.57 56.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.185 -0.461 . . . . 3.1499999999999999 110.817 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.59 -27.57 27.15 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.437 0.637 . . . . 3.1899999999999999 109.399 177.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 41.7 mt -87.35 156.88 19.42 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.357 -0.838 . . . . 0.57999999999999996 110.105 -178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -99.09 -11.45 21.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.313 -0.403 . . . . 3.2999999999999998 110.854 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -80.52 -162.68 27.55 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.044 -0.598 . . . . 0.95999999999999996 112.449 177.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 515' ' ' LYS . 0.2 OUTLIER -116.9 102.7 9.6 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.553 -0.536 . . . . 3.5299999999999998 109.553 178.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -130.91 173.59 10.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.997 0.427 . . . . 0.72999999999999998 111.366 -174.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 519' ' ' ASN . 81.5 mttt -115.24 137.62 51.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.314 -0.857 . . . . 1.98 108.954 176.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -79.12 35.96 0.27 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.746 0.784 . . . . 2.29 111.246 -177.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.429 ' H ' ' C ' ' A' ' 517' ' ' LYS . 8.5 p30 -161.68 25.5 0.12 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.897 -1.047 . . . . 2.5600000000000001 109.646 178.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -102.69 141.85 34.81 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.956 -0.566 . . . . 1.52 110.286 -178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.487 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -132.4 124.03 27.89 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.605 -0.725 . . . . 0.42999999999999999 110.531 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.601 HD13 ' HB3' ' A' ' 545' ' ' TYR . 97.4 mt -102.63 105.29 17.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.102 -0.954 . . . . 0.39000000000000001 110.738 -177.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.727 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 20.6 tt0 -74.78 126.1 30.18 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.957 -0.565 . . . . 0.59999999999999998 110.876 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . 0.456 ' CD2' HG11 ' A' ' 536' ' ' VAL . 43.7 p90 -145.97 141.95 28.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.764 0.316 . . . . 0.23999999999999999 110.412 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.499 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 62.8 p -84.81 143.54 29.03 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.736 -0.468 . . . . 1.24 109.736 177.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . 0.485 ' CD1' HD23 ' A' ' 528' ' ' LEU . 19.6 t80 -126.82 112.7 15.66 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 120.172 -0.611 . . . . 0.27000000000000002 110.571 -178.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.43 ' HB3' ' H ' ' A' ' 531' ' ' ASP . 9.4 t70 -84.94 108.2 17.45 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.502 -0.925 . . . . 0.57999999999999996 108.502 172.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.485 HD23 ' CD1' ' A' ' 526' ' ' PHE . 63.8 mt -67.67 -9.74 46.1 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 116.161 -0.472 . . . . 0.51000000000000001 112.137 -172.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -106.96 -42.4 4.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.794 0.331 . . . . 2.1800000000000002 110.965 177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 39.8 mtp180 -89.63 -51.86 5.3 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.0 0.371 . . . . 4.0999999999999996 112.0 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 527' ' ' ASP . 4.1 m-20 -70.01 156.21 39.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.738 0.78 . . . . 0.60999999999999999 112.0 -173.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 76.4 t -131.11 137.79 31.47 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 114.671 -1.149 . . . . 0.28000000000000003 108.88 176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -53.03 -49.46 17.51 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.213 1.942 . . . . 0.23999999999999999 112.161 -176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.33 -30.62 71.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.853 -0.612 . . . . 2.3399999999999999 111.363 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 539' ' ' GLU . 26.8 t70 -70.12 -46.53 64.6 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.149 0.5 . . . . 1.0900000000000001 110.04 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 524' ' ' PHE . 93.8 t -60.34 -42.32 90.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.501 -0.772 . . . . 0.28000000000000003 110.238 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.583 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.35 -27.77 69.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.17000000000000001 110.823 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.493 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 7.8 mm100 -69.46 -45.78 68.26 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 110.067 -0.346 . . . . 1.0800000000000001 110.067 174.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 535' ' ' ASP . 50.7 mm-40 -57.88 -40.59 80.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.257 0.551 . . . . 2.0699999999999998 109.734 175.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.441 ' HB3' HG23 ' A' ' 546' ' ' VAL . 54.0 mtt -55.4 -41.59 72.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.268 -0.878 . . . . 0.25 110.925 177.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.648 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 65.1 t -67.08 -50.97 58.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.897 -0.592 . . . . 0.23999999999999999 110.849 178.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.77 -28.25 69.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.77000000000000002 111.673 -177.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . 0.449 ' HB2' ' CD2' ' A' ' 545' ' ' TYR . 17.6 m -84.59 -14.45 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.809 0.338 . . . . 1.22 111.239 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 97.53 7.74 56.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.76 -0.733 . . . . 0.54000000000000004 113.078 178.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.601 ' HB3' HD13 ' A' ' 522' ' ' ILE . 66.7 m-85 -78.8 -52.0 8.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.124 0.488 . . . . 0.56000000000000005 110.376 178.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.648 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 95.4 t -116.61 151.75 18.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.438 -0.801 . . . . 0.17000000000000001 110.642 -173.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 49.2 t -92.85 143.09 26.61 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.685 -0.857 . . . . 0.42999999999999999 108.685 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.435 ' HB3' HG11 ' A' ' 541' ' ' VAL . 12.3 pt-20 -64.0 -14.4 53.8 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 2.7200000000000002 112.184 -173.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -81.05 -18.42 69.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.32000000000000001 112.286 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -113.93 22.32 14.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.55 0.69 . . . . 1.23 109.778 178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . 0.493 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 16.6 t-80 -61.31 -50.78 71.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.128 -0.942 . . . . 0.23999999999999999 111.895 -175.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -68.6 -30.62 69.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.61 0.243 . . . . 2.8999999999999999 111.143 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 482' ' ' GLU . 84.3 m -59.41 -48.61 80.99 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.965 -0.561 . . . . 0.34999999999999998 110.772 177.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.568 ' O ' HG13 ' A' ' 558' ' ' ILE . 25.3 mmt -66.0 -44.2 85.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.665 -0.698 . . . . 0.14000000000000001 110.59 -179.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.47 -32.58 73.5 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.596 -0.729 . . . . 0.17000000000000001 111.278 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -65.64 -41.95 92.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.942 0.401 . . . . 1.8300000000000001 109.954 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.545 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.97 -44.81 96.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.776 -0.647 . . . . 0.17999999999999999 110.297 176.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 554' ' ' MET . 57.0 mt -63.03 -49.38 83.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.314 -0.857 . . . . 0.17999999999999999 110.314 179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -64.51 -33.33 75.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.915 -0.584 . . . . 2.2000000000000002 111.022 -175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.5 -44.84 93.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 1.03 110.846 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' A' ' 565' ' ' ILE . 13.0 tpt180 -68.58 -45.16 72.79 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.172 -0.467 . . . . 1.5700000000000001 109.87 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 558' ' ' ILE . 76.0 t -61.92 -33.66 59.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 115.508 -0.769 . . . . 0.23999999999999999 111.373 -178.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 13.3 t -61.95 -43.81 98.08 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.961 0.41 . . . . 0.83999999999999997 110.516 178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 83.9 mt -66.33 -43.49 85.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.331 0.586 . . . . 1.7 110.006 177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.578 HD13 ' CD1' ' A' ' 500' ' ' ILE . 84.7 mt -60.36 -47.92 90.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.04 -0.982 . . . . 0.57999999999999996 111.701 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -66.54 -22.42 66.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.944 -0.571 . . . . 0.88 111.526 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.426 ' HD3' ' O ' ' A' ' 567' ' ' ARG . 0.3 OUTLIER -59.55 -32.41 70.32 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.544 -0.539 . . . . 3.0 109.544 176.532 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -70.55 -31.37 68.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.195 0.521 . . . . 3.4700000000000002 110.249 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.51 ' NH2' ' HB2' ' A' ' 497' ' ' LYS . 11.2 mpt_? -76.26 -9.46 58.65 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.687 -0.688 . . . . 3.0499999999999998 110.926 177.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.36 56.51 1.37 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.811 0.815 . . . . 2.1600000000000001 110.48 178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . 0.443 ' HG2' ' N ' ' A' ' 572' ' ' ARG . 24.3 tt0 -133.13 164.04 27.92 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.602 -1.181 . . . . 5.2800000000000002 108.182 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.543 ' NE ' ' HA ' ' A' ' 572' ' ' ARG . 5.3 mmp_? . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.674 -0.679 . . . . 8.0299999999999994 109.865 174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.04 -0.424 . . . . 9.5 112.04 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -153.73 133.28 12.88 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.793 0.33 . . . . 7.3399999999999999 110.693 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 15.6 tpt -85.71 -40.64 15.91 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.091 0.472 . . . . 10.949999999999999 109.891 178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -80.17 146.67 63.27 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.25 -0.648 . . . . 6.7800000000000002 109.25 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.53 84.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 124.428 3.419 . . . . 7.4500000000000002 113.588 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -175.91 -178.35 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.277 -1.009 . . . . 7.3399999999999999 108.277 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -158.04 13.78 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.963 0.411 . . . . 6.0300000000000002 109.908 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 67.87 -58.06 0.45 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.343 -0.844 . . . . 5.9199999999999999 111.432 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 12.6 m -64.1 116.27 5.76 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.591 -0.522 . . . . 1.7 109.591 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.566 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -87.49 43.28 3.18 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.093 -0.575 . . . . 0.57999999999999996 113.489 -173.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.603 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.2 OUTLIER -156.91 158.74 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 122.501 0.32 . . . . 0.35999999999999999 110.583 178.698 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -164.37 139.1 5.61 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.798 -0.637 . . . . 2.96 110.016 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.588 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 49.2 t -111.92 144.97 18.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.188 -0.46 . . . . 0.23000000000000001 110.863 -177.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -133.74 165.13 25.67 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.963 -0.562 . . . . 2.0099999999999998 110.876 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.56 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 93.8 mt -85.5 129.04 34.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.466 -0.788 . . . . 0.37 110.855 -178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.585 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -76.67 -13.57 60.04 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.743 0.782 . . . . 0.42999999999999999 109.961 174.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.56 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 11.1 pt-20 -139.29 163.33 32.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.456 -1.247 . . . . 2.02 108.569 -177.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -81.57 115.41 20.85 Favored 'General case' 0 C--N 1.313 -1.016 0 N-CA-C 109.542 -0.54 . . . . 2.3599999999999999 109.542 178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . 0.448 ' CG ' HH21 ' A' ' 569' ' ' ARG . 21.4 t70 -113.99 104.88 12.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.181 -0.463 . . . . 1.3700000000000001 110.992 -176.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -91.32 -27.53 18.32 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.82 -0.627 . . . . 3.3799999999999999 109.373 175.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 496' ' ' GLU . . . 120.87 115.8 2.44 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.488 -0.778 . . . . 2.4500000000000002 113.166 174.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 495' ' ' GLY . 11.8 pt-20 175.63 -34.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.677 0.751 . . . . 3.3500000000000001 108.984 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -101.89 128.72 48.16 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.685 -1.143 . . . . 1.75 110.042 -178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 33.0 mm -73.56 -31.8 33.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.347 0.594 . . . . 0.68000000000000005 110.413 -174.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 526' ' ' PHE . . . -107.77 123.76 49.03 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.451 -0.795 . . . . 0.45000000000000001 110.644 -178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 16.5 pt -120.48 -176.41 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.638 -0.71 . . . . 0.31 111.038 -175.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 490' ' ' ALA . 11.3 tptm -125.37 114.93 19.53 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.084 -0.507 . . . . 1.8100000000000001 109.665 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.588 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 48.0 mt -115.45 156.72 25.13 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.985 -0.552 . . . . 0.59999999999999998 111.089 -176.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.684 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 33.4 m95 -121.94 124.03 43.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.894 -0.409 . . . . 0.34000000000000002 109.894 170.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 56.7 tp -83.51 96.24 8.54 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.074 0.464 . . . . 0.28999999999999998 110.328 176.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -87.65 119.73 28.26 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.537 -0.756 . . . . 3.3300000000000001 110.55 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.492 HG21 HG22 ' A' ' 509' ' ' ILE . 12.7 mm -79.96 124.69 38.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.752 -0.658 . . . . 0.51000000000000001 110.087 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.566 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 18.5 mm-40 -92.73 -45.3 8.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.071 -0.513 . . . . 1.52 111.836 -175.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -137.29 96.45 3.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.283 0.563 . . . . 0.70999999999999996 110.557 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.492 HG22 HG21 ' A' ' 506' ' ' ILE . 2.7 pp -75.98 -13.11 14.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.664 -0.698 . . . . 0.70999999999999996 112.022 -177.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -75.35 -17.63 60.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.874 0.369 . . . . 3.1499999999999999 110.837 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 4.8 mmmp? -85.07 -18.84 33.08 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-O 121.113 0.482 . . . . 3.1899999999999999 111.116 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 19.1 mt -91.49 149.79 21.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.738 -0.664 . . . . 0.57999999999999996 110.917 -173.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -107.54 54.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.272 0.558 . . . . 3.2999999999999998 110.558 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.21 -171.85 26.66 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.706 -0.679 . . . . 0.95999999999999996 111.516 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -92.4 103.77 16.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.09 0.471 . . . . 3.5299999999999998 110.762 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -135.76 170.19 16.36 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.917 -0.583 . . . . 0.72999999999999998 110.055 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.406 ' C ' ' H ' ' A' ' 519' ' ' ASN . 49.5 mtmt -125.69 151.47 46.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.001 -0.545 . . . . 1.98 109.804 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -80.73 31.5 0.3 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.536 0.684 . . . . 2.29 111.218 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.406 ' H ' ' C ' ' A' ' 517' ' ' LYS . 26.9 p-10 -159.97 23.78 0.17 Allowed 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.031 -0.986 . . . . 2.5600000000000001 109.746 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -91.0 140.13 30.13 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.665 . . . . 1.52 110.534 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.634 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -143.14 113.3 7.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.578 -0.737 . . . . 0.42999999999999999 110.285 177.303 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.536 HD13 ' HB3' ' A' ' 545' ' ' TYR . 68.3 mt -92.79 105.17 16.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 114.748 -1.114 . . . . 0.39000000000000001 110.858 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.684 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.1 tt0 -73.43 126.43 30.17 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.948 -0.569 . . . . 0.59999999999999998 110.428 177.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . 0.474 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 47.6 p90 -144.43 143.97 31.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.839 0.352 . . . . 0.23999999999999999 110.437 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.5 p -86.67 136.46 33.02 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.823 -0.436 . . . . 1.24 109.823 175.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . 0.445 ' CD2' HD23 ' A' ' 528' ' ' LEU . 31.9 t80 -125.81 116.43 21.57 Favored 'General case' 0 CA--C 1.512 -0.484 0 C-N-CA 120.529 -0.469 . . . . 0.27000000000000002 111.156 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.31 106.08 13.9 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.077 -1.083 . . . . 0.57999999999999996 108.077 170.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.445 HD23 ' CD2' ' A' ' 526' ' ' PHE . 78.7 mt -62.32 -15.44 48.05 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.035 0.754 . . . . 0.51000000000000001 113.035 -170.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -106.84 -43.83 4.58 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.964 -0.294 . . . . 2.1800000000000002 111.429 -178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -81.57 -52.0 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.831 0.308 . . . . 4.0999999999999996 111.831 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -75.28 146.51 40.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.448 0.642 . . . . 0.60999999999999999 111.61 -171.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 73.3 t -116.82 137.83 24.1 Favored Pre-proline 0 C--N 1.316 -0.857 0 CA-C-N 115.018 -0.992 . . . . 0.28000000000000003 109.316 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -51.03 -46.61 29.94 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.801 2.334 . . . . 0.23999999999999999 112.077 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -61.42 -36.77 81.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.911 -0.586 . . . . 2.3399999999999999 111.202 176.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -66.84 -46.37 75.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.285 0.564 . . . . 1.0900000000000001 110.127 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.11 -40.14 87.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.253 -0.885 . . . . 0.28000000000000003 111.071 179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.87 -28.27 69.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.539 -0.301 . . . . 0.17000000000000001 110.782 178.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -68.85 -41.02 79.04 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.211 -0.292 . . . . 1.0800000000000001 110.211 174.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -58.91 -43.47 91.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.197 -0.668 . . . . 2.0699999999999998 109.197 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.448 ' HB3' HG23 ' A' ' 546' ' ' VAL . 56.1 mtt -55.45 -45.35 76.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.097 -0.956 . . . . 0.25 111.089 176.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 537' ' ' ALA . 98.7 t -63.16 -50.87 77.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.483 -0.78 . . . . 0.23999999999999999 111.007 178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -64.5 -36.35 83.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 0.77000000000000002 111.548 -176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 32.2 m -72.94 -16.92 61.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.428 -0.351 . . . . 1.22 111.527 -177.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 99.22 14.4 36.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.548 -0.834 . . . . 0.54000000000000004 112.971 178.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.536 ' HB3' HD13 ' A' ' 522' ' ' ILE . 63.9 m-85 -86.88 -46.94 9.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.302 0.572 . . . . 0.56000000000000005 110.481 178.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 94.1 t -118.58 146.64 22.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.186 -0.915 . . . . 0.17000000000000001 110.56 -173.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.433 ' O ' HG12 ' A' ' 546' ' ' VAL . 42.4 t -82.78 140.46 32.98 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.253 -1.017 . . . . 0.42999999999999999 108.253 172.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.462 ' HB2' HG11 ' A' ' 541' ' ' VAL . 40.4 tt0 -63.27 -17.53 62.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.365 -0.379 . . . . 2.7200000000000002 111.502 -172.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.17 -13.26 82.22 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.725 -0.75 . . . . 0.32000000000000001 112.381 176.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -106.06 12.58 30.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.718 -0.475 . . . . 1.23 109.718 177.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -53.82 -49.75 67.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.242 -0.89 . . . . 0.23999999999999999 111.637 -176.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -63.93 -39.74 94.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.687 -0.233 . . . . 2.8999999999999999 111.156 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 26.5 m -60.61 -45.25 94.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.037 0.446 . . . . 0.34999999999999998 110.944 -179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.568 ' SD ' HD21 ' A' ' 504' ' ' LEU . 22.8 mmt -69.93 -44.94 68.58 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.863 -0.608 . . . . 0.14000000000000001 110.664 -178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -60.25 -36.61 78.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.589 -0.732 . . . . 0.17000000000000001 110.375 177.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -67.45 -36.99 82.27 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.677 -0.692 . . . . 1.8300000000000001 110.605 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.603 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -63.24 -46.44 86.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.44 0.638 . . . . 0.17999999999999999 110.321 176.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.502 ' O ' HG23 ' A' ' 562' ' ' VAL . 76.9 mt -61.01 -50.09 82.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.082 -0.963 . . . . 0.17999999999999999 110.371 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -64.86 -29.61 70.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.002 -0.544 . . . . 2.2000000000000002 110.381 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 557' ' ' ALA . 21.1 t70 -59.63 -59.0 6.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.36 -0.836 . . . . 1.03 110.486 176.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 561' ' ' ARG . 18.3 tpt180 -64.34 -43.74 93.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.666 -0.243 . . . . 1.5700000000000001 111.343 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 558' ' ' ILE . 84.8 t -60.48 -33.45 54.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.334 -0.394 . . . . 0.23999999999999999 111.352 -177.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 27.2 t -57.33 -55.49 34.12 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.125 -0.324 . . . . 0.83999999999999997 110.125 177.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.403 ' H ' HD12 ' A' ' 564' ' ' LEU . 8.0 mp -53.47 -45.09 69.42 Favored 'General case' 0 CA--C 1.528 0.114 0 CA-C-O 121.059 0.457 . . . . 1.7 111.564 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.16 -51.21 75.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.626 -0.716 . . . . 0.57999999999999996 111.174 -178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 99.1 mttt -68.48 -32.75 72.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.154 -0.475 . . . . 0.88 110.992 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.445 ' HD2' ' OE1' ' A' ' 570' ' ' GLU . 28.8 tpt180 -61.14 -38.74 87.5 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 122.83 0.452 . . . . 3.0 110.998 178.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -74.23 -30.67 62.28 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.246 0.546 . . . . 3.4700000000000002 110.25 176.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.448 HH21 ' CG ' ' A' ' 493' ' ' ASP . 84.9 mtt180 -78.49 -5.56 52.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.934 -0.575 . . . . 3.0499999999999998 111.492 179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 566' ' ' LYS . 70.5 mt-10 -72.27 -12.84 61.33 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.396 -0.594 . . . . 2.1600000000000001 109.396 173.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -97.0 115.92 28.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.397 -0.819 . . . . 5.2800000000000002 109.598 174.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 572' ' ' ARG . 5.3 tpp180 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.685 -0.674 . . . . 8.0299999999999994 109.965 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.966 -0.454 . . . . 9.5 111.966 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . 54.17 50.1 17.24 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 122.806 0.442 . . . . 7.3399999999999999 111.198 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 15.0 tpt -68.06 -44.75 75.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.908 -0.587 . . . . 10.949999999999999 110.291 179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -105.07 148.12 35.64 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.851 -0.613 . . . . 6.7800000000000002 110.257 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -48.78 139.74 24.14 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 123.392 2.728 . . . . 7.4500000000000002 112.477 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 78.0 4.36 2.85 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.838 0.855 . . . . 7.3399999999999999 110.958 -179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 58.4 -172.21 0.1 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.415 0.626 . . . . 6.0300000000000002 111.456 177.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . 0.512 ' O ' ' HE2' ' A' ' 511' ' ' LYS . 0.0 OUTLIER -95.02 -3.5 48.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.507 0.67 . . . . 5.9199999999999999 109.463 171.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.69 107.59 18.51 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.124 -0.943 . . . . 1.7 109.921 178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -80.1 47.09 3.3 Favored Glycine 0 C--N 1.328 0.106 0 C-N-CA 120.913 -0.66 . . . . 0.57999999999999996 112.745 -178.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.511 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -154.8 165.77 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 122.947 0.499 . . . . 0.35999999999999999 110.475 -178.673 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.515 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 16.2 tpp180 -169.47 138.02 1.9 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.608 -0.723 . . . . 2.96 109.544 176.249 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.526 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 44.4 t -107.77 139.96 27.88 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-O 121.07 0.462 . . . . 0.23000000000000001 111.47 -176.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -124.67 155.04 39.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.539 -0.755 . . . . 2.0099999999999998 110.39 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.592 ' HB3' ' O ' ' A' ' 491' ' ' GLU . 76.5 mt -79.14 127.41 31.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.683 -0.69 . . . . 0.37 110.03 175.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.565 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -72.42 -22.98 61.02 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.838 -0.801 . . . . 0.42999999999999999 108.838 172.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . 0.592 ' O ' ' HB3' ' A' ' 489' ' ' LEU . 15.3 pt-20 -140.66 139.53 34.82 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 114.164 -1.38 . . . . 2.02 108.064 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -72.71 130.5 40.66 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.221 0.534 . . . . 2.3599999999999999 111.46 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . 0.411 ' H ' HD13 ' A' ' 489' ' ' LEU . 6.1 t0 -111.77 108.82 18.37 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.608 -0.724 . . . . 1.3700000000000001 111.071 177.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -138.56 25.01 2.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.006 -0.543 . . . . 3.3799999999999999 109.822 175.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -136.52 -105.24 0.75 Allowed Glycine 0 CA--C 1.507 -0.453 0 C-N-CA 120.287 -0.959 . . . . 2.4500000000000002 113.432 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . 0.626 ' HA ' ' NH2' ' A' ' 569' ' ' ARG . 0.0 OUTLIER -130.0 24.4 5.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.955 0.407 . . . . 3.3500000000000001 111.755 -171.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -65.19 119.95 11.82 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.721 -0.672 . . . . 1.75 111.171 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 27.5 mm -93.02 -49.22 13.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.331 -0.849 . . . . 0.68000000000000005 109.157 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -108.98 120.15 41.69 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.902 -1.044 . . . . 0.45000000000000001 110.146 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.0 pt -120.27 176.79 3.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.441 -0.8 . . . . 0.31 111.675 -171.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 490' ' ' ALA . 14.1 tppt? -119.36 116.72 26.77 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.121 -0.945 . . . . 1.8100000000000001 109.455 178.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.561 HD23 HD23 ' A' ' 489' ' ' LEU . 36.2 mt -117.12 153.17 33.25 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.459 -0.337 . . . . 0.59999999999999998 110.823 -178.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.674 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.4 m95 -119.18 123.34 44.11 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.676 -0.49 . . . . 0.34000000000000002 109.676 169.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.576 HD21 ' SD ' ' A' ' 554' ' ' MET . 53.3 tp -77.97 102.64 7.47 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.03 -0.532 . . . . 0.28999999999999998 109.923 175.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -87.84 126.32 34.96 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.955 -0.566 . . . . 3.3300000000000001 110.237 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.483 HG21 HG22 ' A' ' 509' ' ' ILE . 25.5 mm -90.49 115.51 29.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.083 -0.508 . . . . 0.51000000000000001 109.808 179.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -88.84 -50.59 6.12 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.823 -0.626 . . . . 1.52 111.608 -173.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -135.03 101.15 4.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.111 -0.495 . . . . 0.70999999999999996 109.823 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.483 HG22 HG21 ' A' ' 506' ' ' ILE . 2.1 pp -75.29 -11.26 14.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 0.70999999999999996 111.919 -176.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -80.56 -9.32 59.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.465 0.65 . . . . 3.1499999999999999 110.109 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . 0.512 ' HE2' ' O ' ' A' ' 482' ' ' GLU . 52.2 tptt -89.96 -15.33 32.2 Favored 'General case' 0 N--CA 1.43 -1.468 0 CA-C-N 115.408 -0.815 . . . . 3.1899999999999999 109.2 175.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 32.1 mt -100.26 166.03 11.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.391 -0.822 . . . . 0.57999999999999996 111.103 -174.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -114.93 48.91 1.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.968 0.413 . . . . 3.2999999999999998 110.796 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -160.71 -169.37 23.89 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.828 -0.701 . . . . 0.95999999999999996 111.855 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -97.9 110.16 22.78 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.07 0.462 . . . . 3.5299999999999998 110.294 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . 0.474 ' HB2' ' CG2' ' A' ' 509' ' ' ILE . 34.1 m-85 -138.54 167.28 22.27 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.685 -0.689 . . . . 0.72999999999999998 109.566 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' ' 519' ' ' ASN . 53.0 mtmt -111.91 143.79 42.3 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.369 -0.604 . . . . 1.98 109.369 173.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -78.68 36.6 0.27 Allowed 'General case' 0 N--CA 1.471 0.619 0 CA-C-O 121.244 0.545 . . . . 2.29 111.656 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 517' ' ' LYS . 67.0 t30 -167.18 28.25 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.199 -0.91 . . . . 2.5600000000000001 108.653 176.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -87.61 146.83 25.56 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.222 -0.899 . . . . 1.52 109.576 -177.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.564 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -141.87 121.8 13.63 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.341 0.591 . . . . 0.42999999999999999 110.336 177.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.55 HD13 ' HB3' ' A' ' 545' ' ' TYR . 87.0 mt -103.19 106.24 19.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 114.989 -1.005 . . . . 0.39000000000000001 110.376 -177.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.674 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 19.3 tt0 -72.39 129.28 38.0 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.881 -0.599 . . . . 0.59999999999999998 110.539 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . 0.439 ' CD2' HG11 ' A' ' 536' ' ' VAL . 45.4 p90 -147.41 151.24 36.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.265 -0.425 . . . . 0.23999999999999999 110.082 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 7.1 m -92.29 144.26 25.58 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.42 -0.585 . . . . 1.24 109.42 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -135.38 115.22 12.98 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 120.029 -0.668 . . . . 0.27000000000000002 111.067 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.25 110.68 18.74 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.582 -0.896 . . . . 0.57999999999999996 108.582 171.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 80.1 mt -68.94 -1.46 7.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.896 -0.593 . . . . 0.51000000000000001 112.372 -173.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -113.11 -23.73 9.84 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 121.277 -0.169 . . . . 2.1800000000000002 111.288 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 72.6 mtt180 -114.44 -49.92 2.81 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.752 0.649 . . . . 4.0999999999999996 112.752 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.72 151.9 46.53 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.529 0.68 . . . . 0.60999999999999999 112.546 -170.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 97.8 t -121.78 126.84 26.26 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 114.832 -1.076 . . . . 0.28000000000000003 109.181 178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.434 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 64.2 Cg_exo -53.87 -41.21 76.61 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.544 2.829 . . . . 0.23999999999999999 113.855 -176.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -72.84 -26.16 61.37 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.779 -0.368 . . . . 2.3399999999999999 111.297 177.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.92 -42.12 67.07 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.322 0.582 . . . . 1.0900000000000001 109.585 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.439 HG11 ' CD2' ' A' ' 524' ' ' PHE . 89.6 t -64.49 -41.71 93.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.568 -0.742 . . . . 0.28000000000000003 110.532 176.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.48 -19.69 66.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.714 -0.395 . . . . 0.17000000000000001 110.612 177.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.554 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 0.0 OUTLIER -73.61 -47.73 38.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.37 -0.377 . . . . 1.0800000000000001 110.494 175.383 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 536' ' ' VAL . 11.3 pt-20 -66.37 -27.19 67.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.065 0.46 . . . . 2.0699999999999998 109.884 178.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.433 ' HB3' HG23 ' A' ' 546' ' ' VAL . 53.1 mtt -58.16 -44.52 87.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.422 -0.808 . . . . 0.25 110.422 171.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 537' ' ' ALA . 69.6 t -70.04 -45.66 75.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.772 -0.649 . . . . 0.23999999999999999 110.699 178.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . 0.554 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 56.9 mt-10 -59.79 -36.51 76.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.95 -0.568 . . . . 0.77000000000000002 111.298 -178.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 36.8 m -85.18 1.09 49.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.388 -0.369 . . . . 1.22 111.499 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 87.4 -5.61 84.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.697 -0.764 . . . . 0.54000000000000004 113.407 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.55 ' HB3' HD13 ' A' ' 522' ' ' ILE . 52.2 m-85 -63.36 -56.1 19.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.035 0.445 . . . . 0.56000000000000005 110.8 -179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.534 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 93.4 t -107.06 144.42 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.556 -0.747 . . . . 0.17000000000000001 110.789 -176.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.403 ' O ' HG12 ' A' ' 546' ' ' VAL . 35.5 t -76.57 143.85 40.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.495 -0.775 . . . . 0.42999999999999999 109.287 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.53 -6.81 8.22 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.542 0.571 . . . . 2.7200000000000002 112.542 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -91.07 -11.41 61.44 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.013 -0.613 . . . . 0.32000000000000001 112.702 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 554' ' ' MET . 53.1 m-20 -115.52 19.18 15.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.883 0.373 . . . . 1.23 110.818 -178.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -54.63 -54.08 46.3 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.834 -0.621 . . . . 0.23999999999999999 111.915 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -73.19 -29.75 63.05 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.093 -0.243 . . . . 2.8999999999999999 111.281 -175.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 99.2 m -61.71 -45.08 95.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.377 -0.374 . . . . 0.34999999999999998 110.658 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.576 ' SD ' HD21 ' A' ' 504' ' ' LEU . 24.5 mmt -68.14 -43.34 78.52 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.181 0.515 . . . . 0.14000000000000001 110.477 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -62.03 -35.2 77.87 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.381 -0.827 . . . . 0.17000000000000001 111.182 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.552 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 2.6 tmtp? -65.39 -41.49 93.63 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.998 -0.741 . . . . 1.8300000000000001 108.998 178.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.511 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -58.7 -43.19 89.97 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.243 0.544 . . . . 0.17999999999999999 110.251 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.516 ' O ' HG23 ' A' ' 562' ' ' VAL . 62.9 mt -63.77 -50.72 76.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 CA-C-N 115.219 -0.901 . . . . 0.17999999999999999 109.988 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -61.07 -40.01 92.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.606 -0.724 . . . . 2.2000000000000002 110.843 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -63.57 -43.95 95.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 1.03 110.301 -179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -66.41 -48.5 69.86 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.131 -0.486 . . . . 1.5700000000000001 110.484 178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 558' ' ' ILE . 91.8 t -59.78 -37.65 72.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.943 -0.571 . . . . 0.23999999999999999 111.248 -178.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . 0.494 ' O ' ' HG2' ' A' ' 567' ' ' ARG . 23.0 t -59.67 -50.26 74.55 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.022 -0.362 . . . . 0.83999999999999997 110.022 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 94.0 mt -61.05 -43.08 99.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.155 -0.475 . . . . 1.7 110.599 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 78.6 mt -56.47 -54.48 27.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.574 -0.739 . . . . 0.57999999999999996 111.096 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.404 ' HA ' ' HB2' ' A' ' 569' ' ' ARG . 97.5 mttt -59.93 -32.96 71.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.88 111.579 -178.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 563' ' ' SER . 21.6 mmm180 -63.03 -44.19 96.6 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.945 0.402 . . . . 3.0 110.644 176.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -73.16 -26.73 61.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.86 -0.609 . . . . 3.4700000000000002 110.276 178.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.626 ' NH2' ' HA ' ' A' ' 496' ' ' GLU . 1.4 mmp_? -67.48 -38.94 85.13 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.633 -0.712 . . . . 3.0499999999999998 110.96 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -64.81 -57.55 8.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.556 -0.747 . . . . 2.1600000000000001 111.864 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 57.94 58.59 3.53 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.679 -0.489 . . . . 5.2800000000000002 109.679 -173.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 . . . . . 0 C--O 1.251 1.15 0 CA-C-N 115.33 -0.85 . . . . 8.0299999999999994 110.641 -176.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 112.157 -0.377 . . . . 9.5 112.157 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -117.62 129.44 55.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.052 0.453 . . . . 7.3399999999999999 110.48 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 56.3 ttp -70.08 -30.38 67.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.674 -0.694 . . . . 10.949999999999999 109.559 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -81.28 146.72 58.72 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.56 -0.746 . . . . 6.7800000000000002 109.129 173.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -58.81 47.54 0.05 OUTLIER 'Trans proline' 0 N--CA 1.48 0.68 0 C-N-CA 124.334 3.356 . . . . 7.4500000000000002 114.817 176.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -78.48 -41.28 33.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.88 -0.785 . . . . 7.3399999999999999 108.88 171.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -81.2 72.2 8.22 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.175 -0.921 . . . . 6.0300000000000002 109.054 175.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -89.18 -15.42 33.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.404 -0.816 . . . . 5.9199999999999999 111.561 -173.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 4.8 m -84.29 144.03 29.15 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.725 -0.472 . . . . 1.7 109.725 177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.407 ' C ' ' HB3' ' A' ' 507' ' ' GLU . . . -79.9 33.73 2.15 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 121.407 -0.425 . . . . 0.57999999999999996 113.564 -173.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.638 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -154.18 163.48 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.633 0.254 . . . . 0.35999999999999999 110.67 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 487' ' ' VAL . 16.6 tpp85 -166.51 125.38 1.48 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.494 0.664 . . . . 2.96 110.676 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.511 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 57.6 t -87.64 143.21 11.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.285 -0.87 . . . . 0.23000000000000001 110.567 178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -120.28 160.49 22.87 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.991 0.424 . . . . 2.0099999999999998 110.7 178.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 502' ' ' LEU . 74.9 mt -83.77 131.1 34.94 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.437 -0.801 . . . . 0.37 110.082 178.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.6 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -74.66 -22.86 58.66 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.952 0.882 . . . . 0.42999999999999999 109.087 172.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -122.44 -171.23 2.23 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.06 -1.427 . . . . 2.02 108.629 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -110.13 133.37 53.28 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 109.926 -0.398 . . . . 2.3599999999999999 109.926 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -101.48 123.17 45.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.37 -0.377 . . . . 1.3700000000000001 110.544 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -167.96 76.7 0.14 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.207 0.527 . . . . 3.3799999999999999 110.337 174.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 177.87 -112.87 0.39 Allowed Glycine 0 N--CA 1.44 -1.068 0 C-N-CA 120.782 -0.723 . . . . 2.4500000000000002 111.99 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -141.9 31.09 1.62 Allowed 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.627 -0.509 . . . . 3.3500000000000001 109.627 -175.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -58.92 135.89 57.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.768 -0.651 . . . . 1.75 111.866 -174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 22.2 mm -99.94 -36.29 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 CA-C-N 115.116 -0.947 . . . . 0.68000000000000005 110.437 178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -131.07 123.14 28.02 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.215 0.531 . . . . 0.45000000000000001 110.808 -176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.413 ' CD1' HD13 ' A' ' 565' ' ' ILE . 15.6 pt -125.01 179.49 3.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.725 -0.671 . . . . 0.31 111.559 -172.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -120.78 116.31 24.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.615 -0.72 . . . . 1.8100000000000001 109.793 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.518 HD23 HD23 ' A' ' 489' ' ' LEU . 58.7 mt -112.88 159.47 19.01 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.887 -0.597 . . . . 0.59999999999999998 111.285 -176.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.732 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 36.2 m95 -126.45 120.06 28.79 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.79 -0.448 . . . . 0.34000000000000002 109.79 169.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 46.0 tp -75.3 99.74 4.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.271 -0.422 . . . . 0.28999999999999998 110.357 177.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.499 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 48.7 mtp180 -93.51 126.92 38.91 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.841 -0.618 . . . . 3.3300000000000001 110.852 177.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.525 ' HA ' HG12 ' A' ' 485' ' ' VAL . 20.2 mm -79.65 119.17 28.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.662 -0.496 . . . . 0.51000000000000001 109.662 177.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.52 ' H ' ' HA ' ' A' ' 485' ' ' VAL . 18.2 tp10 -81.59 -48.69 11.44 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.542 -0.754 . . . . 1.52 110.238 -176.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . 0.486 ' OD1' ' HG3' ' A' ' 510' ' ' LYS . 11.8 t70 -130.96 108.49 9.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.21 -0.45 . . . . 0.70999999999999996 110.057 175.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.462 HG22 HG21 ' A' ' 506' ' ' ILE . 2.8 pp -75.6 -20.93 15.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.048 0.758 . . . . 0.70999999999999996 113.048 -174.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . 0.486 ' HG3' ' OD1' ' A' ' 508' ' ' ASP . 0.0 OUTLIER -91.76 -15.45 28.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.808 0.337 . . . . 3.1499999999999999 111.368 -174.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -70.76 -21.9 62.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.293 0.568 . . . . 3.1899999999999999 110.094 170.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.522 HD11 HG23 ' A' ' 506' ' ' ILE . 22.4 mt -85.43 160.62 19.7 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.249 -0.887 . . . . 0.57999999999999996 109.761 178.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -92.8 -15.33 26.67 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.365 0.602 . . . . 3.2999999999999998 109.466 178.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -87.54 -179.57 47.94 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 114.882 -1.053 . . . . 0.95999999999999996 112.055 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 56.9 mtpt -108.94 109.75 20.9 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.833 0.349 . . . . 3.5299999999999998 110.245 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . 0.591 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 87.9 m-85 -132.48 156.71 46.26 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.894 0.378 . . . . 0.72999999999999998 110.54 -177.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -91.76 149.73 21.46 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.54 -0.754 . . . . 1.98 109.803 176.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -81.83 34.0 0.39 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.457 0.646 . . . . 2.29 111.975 -173.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -161.07 24.29 0.13 Allowed 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.05 -0.977 . . . . 2.5600000000000001 108.775 174.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . 0.468 ' O ' ' HA ' ' A' ' 505' ' ' ARG . 7.1 tp10 -82.46 130.29 35.08 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.121 -0.945 . . . . 1.52 110.017 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -136.52 118.43 15.24 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.769 -0.65 . . . . 0.42999999999999999 110.711 179.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 545' ' ' TYR . 86.4 mt -101.1 107.21 20.85 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-N 115.247 -0.888 . . . . 0.39000000000000001 110.807 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.732 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 29.6 tt0 -71.3 132.31 44.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.004 0.431 . . . . 0.59999999999999998 111.055 -179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . 0.403 ' CD2' HG11 ' A' ' 536' ' ' VAL . 44.9 p90 -151.69 139.92 20.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.734 -0.666 . . . . 0.23999999999999999 109.651 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 10.0 p -83.48 143.62 30.11 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.57 -0.53 . . . . 1.24 109.57 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . 0.415 ' HD1' HD23 ' A' ' 528' ' ' LEU . 25.2 t80 -134.22 117.61 16.68 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 120.007 -0.677 . . . . 0.27000000000000002 111.314 -175.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -85.58 113.51 21.87 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.378 -0.971 . . . . 0.57999999999999996 108.378 170.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.415 HD23 ' HD1' ' A' ' 526' ' ' PHE . 58.4 mt -67.92 -10.66 55.08 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.932 -0.576 . . . . 0.51000000000000001 111.879 -172.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -103.42 -46.73 4.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.9 0.381 . . . . 2.1800000000000002 110.6 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 59.6 mtp180 -86.26 -54.08 4.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.581 0.586 . . . . 4.0999999999999996 112.581 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -67.19 147.32 53.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.446 0.641 . . . . 0.60999999999999999 112.052 -171.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 99.1 t -122.72 131.63 24.35 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.032 -0.985 . . . . 0.28000000000000003 109.196 179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.403 ' HB3' ' HB ' ' A' ' 558' ' ' ILE . 84.7 Cg_exo -51.35 -37.47 60.76 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.855 3.037 . . . . 0.23999999999999999 113.685 -176.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.14 -33.54 61.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.583 0.23 . . . . 2.3399999999999999 111.286 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -66.09 -45.09 82.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.053 0.454 . . . . 1.0900000000000001 110.058 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.403 HG11 ' CD2' ' A' ' 524' ' ' PHE . 93.3 t -61.39 -42.06 92.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.56 -0.746 . . . . 0.28000000000000003 110.937 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.66 -24.33 67.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.444 -0.344 . . . . 0.17000000000000001 110.989 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.452 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 8.2 mm100 -70.14 -43.88 70.03 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.844 0.354 . . . . 1.0800000000000001 110.192 174.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -59.47 -39.74 84.66 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.497 0.665 . . . . 2.0699999999999998 109.491 175.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.452 ' HB3' HG23 ' A' ' 546' ' ' VAL . 55.1 mtt -58.26 -41.93 85.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.851 -1.068 . . . . 0.25 111.393 177.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 537' ' ' ALA . 92.9 t -67.91 -42.86 86.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.891 -0.595 . . . . 0.23999999999999999 111.064 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -62.78 -45.24 93.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.342 -0.39 . . . . 0.77000000000000002 111.538 -177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 41.4 t -67.75 -22.23 65.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.205 -0.452 . . . . 1.22 111.112 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 106.9 -3.5 35.89 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.629 -0.796 . . . . 0.54000000000000004 112.464 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.574 ' HB3' HD13 ' A' ' 522' ' ' ILE . 53.2 m-85 -64.63 -61.85 1.94 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.063 0.458 . . . . 0.56000000000000005 110.957 178.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.609 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 94.3 t -103.0 142.38 17.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.937 -0.574 . . . . 0.17000000000000001 111.369 -174.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.66 138.87 37.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.16 -0.927 . . . . 0.42999999999999999 108.855 175.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.57 ' CD ' ' H ' ' A' ' 548' ' ' GLU . 0.3 OUTLIER -67.65 -7.1 23.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.098 -0.501 . . . . 2.7200000000000002 111.342 -177.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -80.92 -12.45 82.65 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.939 -0.648 . . . . 0.32000000000000001 111.84 174.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -129.38 28.71 5.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.004 0.43 . . . . 1.23 110.889 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . 0.452 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 21.1 t-80 -58.39 -47.28 84.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.23999999999999999 109.935 176.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -65.57 -35.05 79.71 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.528 -0.76 . . . . 2.8999999999999999 110.939 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 512' ' ' LEU . 8.8 m -61.77 -49.22 77.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.965 -0.561 . . . . 0.34999999999999998 110.854 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.577 ' O ' HG13 ' A' ' 558' ' ' ILE . 23.1 mmt -67.92 -42.4 81.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.858 -0.61 . . . . 0.14000000000000001 110.756 -177.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.4 74.13 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.844 -0.616 . . . . 0.17000000000000001 110.307 178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -66.96 -35.8 80.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.887 -0.597 . . . . 1.8300000000000001 110.339 176.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.638 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -66.76 -43.96 82.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.309 0.576 . . . . 0.17999999999999999 110.221 175.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 554' ' ' MET . 58.2 mt -63.0 -53.01 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 114.921 -1.036 . . . . 0.17999999999999999 109.897 178.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 5.4 tmtt? -57.96 -44.93 87.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.484 -0.78 . . . . 2.2000000000000002 109.856 -178.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -51.82 -58.1 7.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.609 -0.723 . . . . 1.03 111.157 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 561' ' ' ARG . 10.5 tpp180 -60.94 -47.39 86.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.574 -0.285 . . . . 1.5700000000000001 111.292 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 558' ' ' ILE . 92.0 t -56.78 -32.29 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.212 -0.449 . . . . 0.23999999999999999 111.254 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 60.6 m -60.24 -52.96 63.08 Favored 'General case' 0 N--CA 1.439 -1.006 0 C-N-CA 122.062 0.145 . . . . 0.83999999999999997 110.632 175.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 7.9 mp -53.19 -48.43 68.06 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-O 120.841 0.353 . . . . 1.7 111.083 173.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.413 HD13 ' CD1' ' A' ' 500' ' ' ILE . 97.9 mt -57.49 -53.03 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.568 -0.742 . . . . 0.57999999999999996 111.628 -179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 97.5 mttt -64.91 -30.89 71.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.479 -0.328 . . . . 0.88 111.04 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -64.7 -34.09 77.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.035 0.445 . . . . 3.0 110.446 176.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -72.63 -27.57 62.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.028 -0.533 . . . . 3.4700000000000002 110.424 177.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 39.5 mtm180 -81.89 -10.94 59.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.674 -0.694 . . . . 3.0499999999999998 111.417 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 17.5 mm-40 -67.1 -15.76 63.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.311 0.577 . . . . 2.1600000000000001 110.555 179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -130.77 158.05 41.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.229 -0.896 . . . . 5.2800000000000002 109.039 177.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 . . . . . 0 C--O 1.244 0.773 0 CA-C-O 119.054 -0.498 . . . . 8.0299999999999994 110.585 178.911 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.419 -0.672 . . . . 9.5 111.419 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -139.47 135.23 33.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.81 0.338 . . . . 7.3399999999999999 111.558 -175.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -94.26 -10.41 32.99 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.855 -0.794 . . . . 10.949999999999999 108.855 171.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -94.94 159.34 33.36 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 114.62 -1.173 . . . . 6.7800000000000002 109.693 176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -37.33 132.05 0.58 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 124.003 3.136 . . . . 7.4500000000000002 113.234 175.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -55.2 134.52 49.72 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.971 -0.559 . . . . 7.3399999999999999 111.718 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 74.95 114.9 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.492 -1.231 . . . . 6.0300000000000002 111.191 178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.22 -29.11 68.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.906 -1.043 . . . . 5.9199999999999999 110.441 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.408 HG22 ' CG2' ' A' ' 485' ' ' VAL . 1.7 m -78.66 111.57 14.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.851 -0.613 . . . . 1.7 109.591 178.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.403 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . -77.14 47.58 2.63 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.916 -0.659 . . . . 0.57999999999999996 113.693 -173.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.534 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.1 OUTLIER -154.75 161.21 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.204 0.526 . . . . 0.35999999999999999 111.04 178.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.456 ' HD2' ' H ' ' A' ' 487' ' ' VAL . 12.1 tpt180 -161.56 133.86 5.86 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.023 -0.99 . . . . 2.96 109.856 175.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.456 ' H ' ' HD2' ' A' ' 486' ' ' ARG . 61.6 t -105.55 125.19 60.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.048 -0.524 . . . . 0.23000000000000001 110.927 -179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.419 ' HG3' ' NH1' ' A' ' 505' ' ' ARG . 11.7 mm-40 -115.58 160.93 19.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.237 -0.892 . . . . 2.0099999999999998 110.774 -176.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.419 HD23 HD23 ' A' ' 502' ' ' LEU . 22.8 mt -87.75 131.29 34.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.046 -0.524 . . . . 0.37 111.213 -176.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.547 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -88.04 -4.53 58.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.306 0.574 . . . . 0.42999999999999999 110.324 177.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -146.24 -176.31 5.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.455 -0.793 . . . . 2.02 109.56 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -84.88 121.38 27.64 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.85 0.357 . . . . 2.3599999999999999 110.617 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -80.86 86.87 5.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.499 0.666 . . . . 1.3700000000000001 110.401 177.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 497' ' ' LYS . 5.9 t70 -160.2 -165.69 1.52 Allowed 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 107.013 -1.477 . . . . 3.3799999999999999 107.013 178.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 71.02 -2.7 16.63 Favored Glycine 0 C--N 1.311 -0.838 0 O-C-N 123.235 0.334 . . . . 2.4500000000000002 113.905 176.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 67.44 29.7 7.21 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.634 0.731 . . . . 3.3500000000000001 109.825 -178.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 494' ' ' ASP . 45.7 mtmt -71.87 129.61 39.01 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 114.848 -1.069 . . . . 1.75 110.036 179.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 22.9 mm -82.35 -33.26 11.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 121.465 0.65 . . . . 0.68000000000000005 110.244 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -105.75 127.38 53.05 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 115.389 -0.823 . . . . 0.45000000000000001 110.703 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.439 ' CD1' HD13 ' A' ' 565' ' ' ILE . 7.9 pt -123.71 179.02 2.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.479 -0.782 . . . . 0.31 110.991 -175.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . 0.457 ' HE2' ' HG2' ' A' ' 523' ' ' GLU . 18.7 tptm -127.01 123.4 36.98 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.853 -0.795 . . . . 1.8100000000000001 108.853 177.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.456 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 26.8 mt -122.94 167.67 13.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.472 -0.331 . . . . 0.59999999999999998 111.428 -174.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.676 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.6 m95 -128.97 124.62 35.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.492 . . . . 0.34000000000000002 109.813 169.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.603 HD21 ' SD ' ' A' ' 554' ' ' MET . 38.3 tp -82.64 98.0 8.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.893 -0.41 . . . . 0.28999999999999998 109.893 176.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.52 ' HG2' ' HB2' ' A' ' 521' ' ' ALA . 92.7 mtt180 -89.97 128.13 36.18 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.874 -0.603 . . . . 3.3300000000000001 110.164 -178.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.494 HG23 HD11 ' A' ' 512' ' ' LEU . 24.8 mm -85.69 114.41 25.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.968 -0.382 . . . . 0.51000000000000001 109.968 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.403 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 10.7 mm-40 -80.78 -30.48 36.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.19 -0.459 . . . . 1.52 110.941 -178.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -147.25 103.66 3.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.958 0.409 . . . . 0.70999999999999996 110.098 178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.491 HG22 HG21 ' A' ' 506' ' ' ILE . 2.3 pp -74.8 -15.0 15.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.067 -0.515 . . . . 0.70999999999999996 111.3 -177.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -79.54 -27.81 41.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.196 -0.456 . . . . 3.1499999999999999 110.694 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -66.91 -25.56 66.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 3.1899999999999999 111.154 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.514 HD13 ' HE1' ' A' ' 554' ' ' MET . 23.0 mt -92.57 154.2 18.56 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.699 -0.682 . . . . 0.57999999999999996 111.477 -171.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm -101.16 47.53 0.91 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 3.2999999999999998 110.199 178.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -145.56 -161.11 8.96 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.846 -0.692 . . . . 0.95999999999999996 112.184 -176.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -114.07 97.32 6.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.695 0.283 . . . . 3.5299999999999998 110.516 -177.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . 0.418 ' OH ' ' HA ' ' A' ' 546' ' ' VAL . 41.5 m-85 -133.14 142.32 48.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.851 0.358 . . . . 0.72999999999999998 110.168 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.451 ' C ' ' H ' ' A' ' 519' ' ' ASN . 1.6 ttpm? -89.26 148.75 23.41 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.476 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.22 37.71 0.07 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.188 0.518 . . . . 2.29 111.753 -178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.451 ' H ' ' C ' ' A' ' 517' ' ' LYS . 25.0 t-20 177.15 60.65 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.615 -1.254 . . . . 2.5600000000000001 107.615 -178.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . 0.448 ' OE1' ' HB3' ' A' ' 517' ' ' LYS . 40.9 tt0 -139.71 132.12 28.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.624 -0.716 . . . . 1.52 110.732 -172.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.52 ' HB2' ' HG2' ' A' ' 505' ' ' ARG . . . -137.33 136.34 37.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.703 -0.681 . . . . 0.42999999999999999 110.215 179.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.532 HD13 ' HB3' ' A' ' 545' ' ' TYR . 94.5 mt -105.48 104.0 16.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.448 -0.796 . . . . 0.39000000000000001 111.033 -175.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.676 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 28.9 tt0 -69.53 125.47 26.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.203 -0.908 . . . . 0.59999999999999998 110.963 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -149.5 142.33 24.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.23999999999999999 110.067 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' A' ' 501' ' ' LYS . 13.4 p -84.57 150.12 25.42 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.077 -0.342 . . . . 1.24 110.077 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -137.77 122.58 18.8 Favored 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 120.292 -0.563 . . . . 0.27000000000000002 110.437 -178.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 12.3 t70 -94.13 116.89 29.36 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.73 -0.841 . . . . 0.57999999999999996 108.73 174.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.12 -14.25 62.83 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 112.809 0.67 . . . . 0.51000000000000001 112.809 -170.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -112.67 -31.64 6.69 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.293 -0.563 . . . . 2.1800000000000002 111.825 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -86.57 -47.98 8.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.824 0.345 . . . . 4.0999999999999996 111.765 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -86.26 151.92 23.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.41 0.624 . . . . 0.60999999999999999 112.187 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 536' ' ' VAL . 76.6 t -124.98 130.72 24.11 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.054 -0.975 . . . . 0.28000000000000003 109.842 178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 86.9 Cg_exo -48.21 -50.88 11.09 Favored 'Trans proline' 0 CA--C 1.533 0.464 0 C-N-CA 122.712 2.274 . . . . 0.23999999999999999 113.332 -172.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -65.66 -37.27 86.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.771 0.32 . . . . 2.3399999999999999 111.551 178.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 14.9 t70 -63.18 -39.74 95.52 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.504 0.668 . . . . 1.0900000000000001 109.873 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 532' ' ' VAL . 94.3 t -71.77 -37.53 62.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.068 -0.969 . . . . 0.28000000000000003 111.289 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.596 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -65.72 -22.97 66.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.815 -0.354 . . . . 0.17000000000000001 110.262 176.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.432 ' O ' ' HG3' ' A' ' 542' ' ' GLU . 11.5 mm100 -70.76 -44.35 66.93 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 109.671 -0.492 . . . . 1.0800000000000001 109.671 172.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . 0.466 ' HG3' ' HA ' ' A' ' 536' ' ' VAL . 20.2 mt-10 -57.45 -41.67 80.98 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 109.028 -0.73 . . . . 2.0699999999999998 109.028 175.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.454 ' HB3' HG23 ' A' ' 546' ' ' VAL . 50.4 mtt -55.49 -44.54 76.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.155 -0.929 . . . . 0.25 111.196 177.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 537' ' ' ALA . 52.1 t -66.76 -46.02 86.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.317 -0.402 . . . . 0.23999999999999999 110.479 178.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 538' ' ' GLN . 45.5 mt-10 -65.22 -36.2 83.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.529 . . . . 0.77000000000000002 111.762 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 44.8 m -74.98 -12.1 60.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.842 0.353 . . . . 1.22 111.412 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 91.26 23.93 28.06 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.69 -0.766 . . . . 0.54000000000000004 112.506 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.532 ' HB3' HD13 ' A' ' 522' ' ' ILE . 39.0 m-85 -93.12 -55.18 3.43 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.178 0.513 . . . . 0.56000000000000005 110.815 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.521 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 98.5 t -112.53 146.27 17.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.554 -0.748 . . . . 0.17000000000000001 111.219 -172.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 44.4 t -78.6 136.99 37.64 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.035 -0.728 . . . . 0.42999999999999999 109.035 173.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.6 -22.09 55.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.941 -0.572 . . . . 2.7200000000000002 111.703 -176.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -68.84 -25.86 74.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.065 -0.588 . . . . 0.32000000000000001 112.495 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -114.43 30.04 7.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.118 0.485 . . . . 1.23 111.107 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -56.82 -46.35 81.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.62 -0.718 . . . . 0.23999999999999999 110.453 175.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 15.1 ptmm? -67.28 -35.43 79.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.059 -0.519 . . . . 2.8999999999999999 110.813 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 11.3 m -59.44 -50.36 74.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.634 -0.712 . . . . 0.34999999999999998 110.769 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.603 ' SD ' HD21 ' A' ' 504' ' ' LEU . 23.4 mmt -68.82 -45.21 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.864 -0.607 . . . . 0.14000000000000001 110.675 -177.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.44 -31.6 71.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.533 -0.758 . . . . 0.17000000000000001 111.024 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.424 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 5.1 tmtm? -64.52 -45.65 86.33 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.023 -0.732 . . . . 1.8300000000000001 109.023 177.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.534 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -60.6 -43.66 97.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.735 -0.666 . . . . 0.17999999999999999 110.489 178.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.574 ' O ' HG23 ' A' ' 562' ' ' VAL . 54.8 mt -62.85 -50.68 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 115.416 -0.811 . . . . 0.17999999999999999 109.659 178.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 559' ' ' LYS . 2.9 tmtp? -61.5 -48.03 82.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.535 -0.757 . . . . 2.2000000000000002 110.403 -176.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . 0.404 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 29.7 t70 -55.09 -45.6 75.45 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.364 -0.38 . . . . 1.03 111.1 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' A' ' 561' ' ' ARG . 0.4 OUTLIER -70.21 -44.7 68.08 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.083 -0.508 . . . . 1.5700000000000001 110.948 179.372 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 558' ' ' ILE . 76.2 t -60.81 -36.32 70.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.23999999999999999 111.073 -179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 22.0 t -59.81 -43.1 94.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.981 0.42 . . . . 0.83999999999999997 110.159 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 71.6 mt -66.74 -44.13 82.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.542 0.687 . . . . 1.7 110.351 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.439 HD13 ' CD1' ' A' ' 500' ' ' ILE . 86.4 mt -60.23 -49.37 84.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.006 -0.997 . . . . 0.57999999999999996 111.401 178.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 570' ' ' GLU . 95.1 mttt -67.07 -30.64 70.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.873 -0.603 . . . . 0.88 111.552 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.448 ' HD2' ' OE1' ' A' ' 570' ' ' GLU . 29.4 tpt180 -57.61 -41.72 81.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 3.0 111.092 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -66.89 -28.45 68.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.325 0.583 . . . . 3.4700000000000002 110.268 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.53 HH11 ' HG3' ' A' ' 569' ' ' ARG . 53.1 mtt85 -83.46 -16.05 47.19 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.409 -0.814 . . . . 3.0499999999999998 111.682 -178.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 566' ' ' LYS . 32.2 mt-10 -73.65 -17.3 61.17 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.404 -0.591 . . . . 2.1600000000000001 109.404 175.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 63.78 -165.25 0.24 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-N 114.907 -1.042 . . . . 5.2800000000000002 110.728 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.852 -0.594 . . . . 8.0299999999999994 109.79 177.768 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.724 -0.55 . . . . 9.5 111.724 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -108.85 123.94 49.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.784 0.292 . . . . 7.3399999999999999 110.73 179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -82.62 -5.52 58.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.305 0.574 . . . . 10.949999999999999 109.868 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -98.45 142.79 25.18 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.403 -0.817 . . . . 6.7800000000000002 110.385 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.55 5.21 5.72 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.902 2.401 . . . . 7.4500000000000002 112.522 178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -86.75 -12.07 49.23 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.993 0.425 . . . . 7.3399999999999999 110.414 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 72.06 35.62 1.26 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.196 -0.911 . . . . 6.0300000000000002 109.945 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -77.18 93.79 3.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.872 -0.603 . . . . 5.9199999999999999 109.811 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 2.1 m -80.48 -17.2 52.36 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.966 -0.561 . . . . 1.7 110.786 -178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 75.88 3.66 74.74 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.087 -0.577 . . . . 0.57999999999999996 112.347 -178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 1.6 m -147.58 158.11 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 122.634 0.374 . . . . 0.35999999999999999 110.176 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -173.47 141.06 0.86 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.432 -0.804 . . . . 2.96 109.052 178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.622 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 64.6 t -109.34 140.64 27.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 C-N-CA 120.822 -0.351 . . . . 0.23000000000000001 110.675 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.484 ' HA ' ' NH1' ' A' ' 561' ' ' ARG . 28.6 mt-10 -122.87 164.77 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.989 -0.551 . . . . 2.0099999999999998 110.583 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.542 HD23 HD23 ' A' ' 502' ' ' LEU . 92.3 mt -86.79 138.99 31.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.764 -0.653 . . . . 0.37 110.737 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.487 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -89.12 -12.99 39.52 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.785 0.802 . . . . 0.42999999999999999 109.506 174.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.89 -170.12 2.21 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.705 -1.134 . . . . 2.02 109.424 177.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -110.73 96.24 6.05 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 120.99 0.424 . . . . 2.3599999999999999 110.454 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . 0.416 ' H ' HD13 ' A' ' 489' ' ' LEU . 27.3 t70 -74.22 88.71 2.0 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.883 -0.599 . . . . 1.3700000000000001 110.904 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -123.96 -19.16 5.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.603 . . . . 3.3799999999999999 110.915 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . -87.15 -114.69 1.01 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.07 -0.586 . . . . 2.4500000000000002 112.505 -178.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -149.03 53.46 0.97 Allowed 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 122.83 0.452 . . . . 3.3500000000000001 109.939 -178.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -68.47 135.56 51.84 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 121.105 0.479 . . . . 1.75 111.093 -177.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 23.2 mm -89.57 -29.0 5.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 108.809 -0.811 . . . . 0.68000000000000005 108.809 172.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . 0.49 ' HA ' ' HA ' ' A' ' 527' ' ' ASP . . . -128.94 122.85 31.08 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.087 -0.96 . . . . 0.45000000000000001 110.214 178.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 502' ' ' LEU . 12.6 pt -112.75 177.39 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.739 -0.664 . . . . 0.31 110.954 -175.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -127.48 112.96 15.54 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.992 -0.744 . . . . 1.8100000000000001 108.992 -179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.622 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 42.5 mt -115.79 162.54 17.15 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.342 -0.39 . . . . 0.59999999999999998 111.542 -173.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.632 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 35.3 m95 -125.05 121.51 34.55 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.495 -0.557 . . . . 0.34000000000000002 109.495 168.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 23.7 tp -74.27 107.89 6.72 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.735 -0.469 . . . . 0.28999999999999998 109.735 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -98.45 130.11 45.06 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.161 -0.472 . . . . 3.3300000000000001 110.849 -176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.618 HG21 HG22 ' A' ' 509' ' ' ILE . 26.0 mm -93.31 112.15 25.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.095 -0.502 . . . . 0.51000000000000001 109.837 177.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -81.97 -53.49 6.1 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.034 -0.53 . . . . 1.52 110.869 -177.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -128.62 103.77 7.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.954 -0.566 . . . . 0.70999999999999996 109.71 -177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.618 HG22 HG21 ' A' ' 506' ' ' ILE . 2.2 pp -74.72 -18.85 16.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.989 -0.55 . . . . 0.70999999999999996 111.488 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -74.12 -25.14 59.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.257 -0.429 . . . . 3.1499999999999999 110.79 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.86 -19.15 61.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.184 -0.462 . . . . 3.1899999999999999 110.679 176.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.463 HD11 HG23 ' A' ' 506' ' ' ILE . 29.2 mt -99.94 149.29 23.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.97 -0.559 . . . . 0.57999999999999996 110.676 -176.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -97.54 75.85 2.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.473 -0.566 . . . . 3.2999999999999998 109.473 176.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -169.56 -151.44 7.33 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.798 -0.715 . . . . 0.95999999999999996 111.841 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -132.0 103.41 6.27 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.597 -0.52 . . . . 3.5299999999999998 109.597 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -138.32 155.46 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.007 -0.542 . . . . 0.72999999999999998 110.512 -173.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 519' ' ' ASN . 87.2 mttt -89.37 147.29 24.14 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.349 -0.611 . . . . 1.98 109.349 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.64 26.12 0.32 Allowed 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.892 0.853 . . . . 2.29 111.25 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . 0.453 ' H ' ' C ' ' A' ' 517' ' ' LYS . 28.5 p-10 -160.43 24.06 0.16 Allowed 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.464 -1.244 . . . . 2.5600000000000001 108.738 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . 0.447 ' HB2' ' HB2' ' A' ' 517' ' ' LYS . 33.9 tt0 -81.31 133.44 35.43 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.275 -0.875 . . . . 1.52 110.133 -174.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -133.44 118.85 18.87 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.794 -0.639 . . . . 0.42999999999999999 110.506 178.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.566 HD13 ' HB3' ' A' ' 545' ' ' TYR . 95.5 mt -102.52 105.1 17.52 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.208 -0.905 . . . . 0.39000000000000001 110.554 -178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.632 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.1 tt0 -69.08 129.7 40.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.68 -0.691 . . . . 0.59999999999999998 111.331 -178.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -153.06 140.9 20.12 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.582 -0.525 . . . . 0.23999999999999999 109.582 177.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 19.7 m -88.28 145.27 25.95 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.849 -0.426 . . . . 1.24 109.849 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -131.7 114.83 15.25 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 120.892 -0.323 . . . . 0.27000000000000002 110.499 -175.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . 0.49 ' HA ' ' HA ' ' A' ' 499' ' ' ALA . 10.0 t70 -81.1 114.42 19.93 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.642 -0.873 . . . . 0.57999999999999996 108.642 172.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . . . . . . . . . 90.0 mt -63.98 -18.69 64.53 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.11 -0.496 . . . . 0.51000000000000001 111.642 -173.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -104.48 -40.85 5.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.167 -0.47 . . . . 2.1800000000000002 111.228 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . 0.552 ' HA ' ' NE ' ' A' ' 530' ' ' ARG . 3.0 mmp_? -93.52 -40.47 10.3 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 113.247 0.832 . . . . 4.0999999999999996 113.247 -177.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.97 152.82 30.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.357 0.599 . . . . 0.60999999999999999 111.825 -174.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.484 ' HB ' ' HB2' ' A' ' 535' ' ' ASP . 83.4 t -125.79 133.71 25.17 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.303 -0.862 . . . . 0.28000000000000003 109.449 177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 532' ' ' VAL . 44.8 Cg_exo -56.99 -38.54 95.79 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.343 2.696 . . . . 0.23999999999999999 113.007 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -78.42 -24.04 46.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.134 -0.485 . . . . 2.3399999999999999 110.932 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.484 ' HB2' ' HB ' ' A' ' 532' ' ' VAL . 8.2 t70 -73.18 -44.77 59.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.423 0.63 . . . . 1.0900000000000001 109.58 178.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.17 -40.87 90.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.359 -0.837 . . . . 0.28000000000000003 110.903 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.644 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.94 -24.72 67.61 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.868 -0.333 . . . . 0.17000000000000001 110.895 179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 11.7 mm100 -66.45 -45.69 78.94 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.953 0.406 . . . . 1.0800000000000001 110.02 174.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -59.83 -41.53 91.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.713 -0.676 . . . . 2.0699999999999998 109.64 175.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.51 ' SD ' HD22 ' A' ' 504' ' ' LEU . 53.4 mtt -56.4 -43.18 79.08 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.177 -0.92 . . . . 0.25 110.968 177.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 537' ' ' ALA . 95.3 t -68.18 -50.54 57.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.855 -0.611 . . . . 0.23999999999999999 110.925 179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -63.01 -36.01 82.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.782 0.325 . . . . 0.77000000000000002 111.385 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 19.3 t -72.49 -16.34 61.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.198 -0.456 . . . . 1.22 111.133 -178.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 99.59 1.36 56.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.728 -0.749 . . . . 0.54000000000000004 112.652 179.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.566 ' HB3' HD13 ' A' ' 522' ' ' ILE . 41.0 m-85 -73.12 -43.61 61.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.023 0.44 . . . . 0.56000000000000005 111.034 179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 90.1 t -121.23 148.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.895 -0.593 . . . . 0.17000000000000001 110.764 -175.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 40.8 t -87.8 134.9 33.59 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.482 -0.932 . . . . 0.42999999999999999 108.482 173.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . 0.499 ' HB2' HG11 ' A' ' 541' ' ' VAL . 31.4 tt0 -60.62 -20.41 60.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.961 -0.563 . . . . 2.7200000000000002 111.316 -174.173 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -65.99 -19.91 68.25 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.051 -0.595 . . . . 0.32000000000000001 112.069 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -122.97 27.91 7.46 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.848 0.356 . . . . 1.23 111.39 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -55.15 -49.5 71.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.23999999999999999 109.98 174.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -62.71 -37.42 86.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.704 -0.68 . . . . 2.8999999999999999 111.041 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . . . . . . . . . 19.1 m -60.59 -47.52 85.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.668 -0.696 . . . . 0.34999999999999998 110.845 179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.598 ' O ' HG13 ' A' ' 558' ' ' ILE . 25.0 mmt -70.28 -45.48 66.26 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 115.917 -0.583 . . . . 0.14000000000000001 110.757 -178.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -61.9 -33.98 75.21 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.661 -0.7 . . . . 0.17000000000000001 110.541 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . 0.511 ' O ' ' HD3' ' A' ' 556' ' ' LYS . 6.4 tmtm? -66.23 -44.9 82.47 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.907 -0.775 . . . . 1.8300000000000001 108.907 174.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -55.45 -45.74 76.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.263 0.554 . . . . 0.17999999999999999 110.296 176.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.598 HG13 ' O ' ' A' ' 554' ' ' MET . 51.9 mt -62.52 -50.04 81.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.238 -0.892 . . . . 0.17999999999999999 110.164 177.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt -65.88 -34.7 78.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.635 -0.711 . . . . 2.2000000000000002 110.73 -175.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -61.42 -48.41 81.3 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.903 -0.59 . . . . 1.03 110.774 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.66 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 7.8 tpt180 -67.06 -48.84 67.03 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 116.279 -0.419 . . . . 1.5700000000000001 110.326 178.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 558' ' ' ILE . 96.6 t -57.63 -35.04 48.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.049 -0.523 . . . . 0.23999999999999999 111.215 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 13.4 t -64.3 -48.13 76.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.758 -0.201 . . . . 0.83999999999999997 110.81 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 561' ' ' ARG . 3.9 pp -69.95 -32.9 71.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.298 0.57 . . . . 1.7 110.161 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . . . . . . . . . 70.7 mt -59.71 -58.07 8.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.353 -0.839 . . . . 0.57999999999999996 110.852 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -60.85 -33.0 72.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.147 -0.479 . . . . 0.88 111.255 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . 0.558 ' HD3' ' OE1' ' A' ' 570' ' ' GLU . 13.1 tpp180 -57.11 -35.22 69.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.05 0.452 . . . . 3.0 110.662 179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -70.64 -31.03 67.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.077 0.465 . . . . 3.4700000000000002 110.24 178.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.597 ' N ' ' HD2' ' A' ' 569' ' ' ARG . 0.4 OUTLIER -75.12 -18.74 60.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.947 -0.57 . . . . 3.0499999999999998 111.093 178.438 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.558 ' OE1' ' HD3' ' A' ' 567' ' ' ARG . 22.6 mt-10 -78.53 -24.36 45.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.342 0.591 . . . . 2.1600000000000001 109.504 174.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -80.96 80.38 7.45 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.325 -0.852 . . . . 5.2800000000000002 110.143 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 572' ' ' ARG . 14.2 mmm-85 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.48 -0.771 . . . . 8.0299999999999994 109.497 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.932 -0.467 . . . . 9.5 111.932 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . . . . . . . . . . . -147.96 23.6 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.524 0.162 . . . . 7.3399999999999999 110.663 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . . . . . . . . . 90.5 mtp 68.16 -66.28 0.23 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.153 0.581 . . . . 10.949999999999999 109.927 -172.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -79.64 150.29 72.68 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.867 -0.606 . . . . 6.7800000000000002 109.573 174.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.93 74.02 1.86 Allowed 'Trans proline' 0 C--O 1.234 0.31 0 C-N-CA 122.624 2.216 . . . . 7.4500000000000002 111.587 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 40.41 64.87 0.85 Allowed 'General case' 0 C--O 1.237 0.396 0 C-N-CA 123.982 0.913 . . . . 7.3399999999999999 111.405 -176.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -75.98 52.98 0.74 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.379 -0.828 . . . . 6.0300000000000002 110.574 -178.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . 0.455 ' O ' ' HE3' ' A' ' 511' ' ' LYS . 10.4 pt-20 -139.22 17.63 2.6 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.137 -0.938 . . . . 5.9199999999999999 108.767 176.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.509 ' HA ' HG23 ' A' ' 553' ' ' THR . 5.3 p -115.03 -76.89 0.57 Allowed 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.472 -0.786 . . . . 1.7 111.756 -175.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.507 ' C ' ' HB2' ' A' ' 507' ' ' GLU . . . 67.45 35.27 86.74 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.023 -1.084 . . . . 0.57999999999999996 110.472 -170.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.54 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.0 OUTLIER -151.67 162.8 2.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 114.778 -0.711 . . . . 0.35999999999999999 110.092 178.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.429 ' O ' ' HB2' ' A' ' 505' ' ' ARG . 9.0 tpp180 -160.18 141.65 12.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.822 -0.626 . . . . 2.96 110.265 174.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 58.9 t -113.92 134.44 56.77 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 116.105 -0.498 . . . . 0.23000000000000001 110.22 179.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -130.12 161.98 29.85 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.691 -0.686 . . . . 2.0099999999999998 110.686 -178.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . . . . . . . . . 35.4 mt -82.01 128.58 34.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.065 -0.97 . . . . 0.37 110.732 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.553 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -75.05 -13.97 60.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.487 0.66 . . . . 0.42999999999999999 110.074 176.104 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -145.39 -178.25 5.98 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.032 -0.986 . . . . 2.02 110.013 -172.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -85.29 124.01 31.42 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.953 -0.388 . . . . 2.3599999999999999 109.953 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -81.8 88.87 6.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.428 0.632 . . . . 1.3700000000000001 111.361 -176.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' A' ' 497' ' ' LYS . 11.7 t70 -155.85 -154.5 0.49 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 106.365 -1.717 . . . . 3.3799999999999999 106.365 175.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 73.77 -3.29 36.13 Favored Glycine 0 C--N 1.312 -0.783 0 C-N-CA 121.194 -0.527 . . . . 2.4500000000000002 114.379 174.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 64.75 10.58 6.14 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.985 0.514 . . . . 3.3500000000000001 111.739 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' A' ' 494' ' ' ASP . 38.6 pttt -65.78 121.56 15.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.903 -0.59 . . . . 1.75 110.131 175.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . 0.44 HD12 ' HG3' ' A' ' 529' ' ' GLU . 30.0 mm -76.82 -33.19 21.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.399 0.619 . . . . 0.68000000000000005 110.597 -175.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -102.71 118.35 36.64 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.636 -0.711 . . . . 0.45000000000000001 110.817 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . 0.422 ' CD1' HD13 ' A' ' 565' ' ' ILE . 12.0 pt -114.36 -177.09 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.28 -0.873 . . . . 0.31 110.871 -175.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -129.02 114.76 16.8 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.909 -0.587 . . . . 1.8100000000000001 110.035 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.442 ' HB3' ' CG1' ' A' ' 487' ' ' VAL . 37.9 mt -113.68 161.71 17.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.673 -0.694 . . . . 0.59999999999999998 110.406 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.713 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 37.3 m95 -123.61 126.51 46.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.797 0.332 . . . . 0.34000000000000002 110.628 172.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.552 ' O ' ' HA ' ' A' ' 521' ' ' ALA . 49.5 tp -83.29 97.6 8.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.003 -0.544 . . . . 0.28999999999999998 110.397 176.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 486' ' ' ARG . 38.1 mtp180 -80.12 118.31 21.71 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.699 -0.682 . . . . 3.3300000000000001 110.748 178.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.409 HG21 HG22 ' A' ' 509' ' ' ILE . 24.1 mm -85.75 111.77 21.47 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.539 -0.541 . . . . 0.51000000000000001 109.539 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . 0.507 ' HB2' ' C ' ' A' ' 484' ' ' GLY . 11.4 mm-40 -93.55 -43.34 8.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.953 -0.567 . . . . 1.52 112.429 -171.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -143.34 97.48 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.966 0.412 . . . . 0.70999999999999996 110.522 -176.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.409 HG22 HG21 ' A' ' 506' ' ' ILE . 2.2 pp -74.75 -1.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 112.4 0.518 . . . . 0.70999999999999996 112.4 -176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -77.36 -22.1 52.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.218 0.533 . . . . 3.1499999999999999 109.933 177.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' A' ' 482' ' ' GLU . 14.0 tptp -79.43 -30.8 42.42 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-O 121.567 0.698 . . . . 3.1899999999999999 109.434 175.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . . . . . . . . . 28.4 mt -85.95 144.47 27.62 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.94 -1.027 . . . . 0.57999999999999996 110.657 -173.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -101.27 50.4 0.86 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.637 0.732 . . . . 3.2999999999999998 109.666 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . -149.99 176.09 28.8 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.239 -0.892 . . . . 0.95999999999999996 111.368 179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -98.59 76.13 2.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.085 0.469 . . . . 3.5299999999999998 110.528 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -94.56 179.17 5.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.716 -0.675 . . . . 0.72999999999999998 110.001 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -109.73 127.78 54.84 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.069 -0.715 . . . . 1.98 109.069 172.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -80.36 37.5 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.624 0.726 . . . . 2.29 111.068 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -168.67 28.93 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.274 -0.876 . . . . 2.5600000000000001 110.019 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -123.74 148.57 46.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 1.52 111.147 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.552 ' HA ' ' O ' ' A' ' 504' ' ' LEU . . . -128.36 132.58 48.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.42999999999999999 109.958 175.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.444 ' HB ' ' HB3' ' A' ' 504' ' ' LEU . 85.4 mt -104.42 106.58 20.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.64 -0.709 . . . . 0.39000000000000001 111.047 -175.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.713 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 23.3 tt0 -68.54 125.89 27.94 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.729 -0.669 . . . . 0.59999999999999998 110.951 179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . 0.414 ' CD2' HG11 ' A' ' 536' ' ' VAL . 36.6 p90 -140.62 143.78 35.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.434 . . . . 0.23999999999999999 109.877 176.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 3.4 p -89.55 142.48 27.63 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.408 -0.36 . . . . 1.24 110.295 179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . 0.415 ' CD1' HD23 ' A' ' 528' ' ' LEU . 22.9 t80 -129.53 115.99 18.26 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 120.472 -0.491 . . . . 0.27000000000000002 110.963 -175.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -82.23 107.52 14.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.499 -0.926 . . . . 0.57999999999999996 108.499 171.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 526' ' ' PHE . 84.3 mt -65.03 -10.4 29.57 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 113.216 0.821 . . . . 0.51000000000000001 113.216 -171.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . 0.44 ' HG3' HD12 ' A' ' 498' ' ' ILE . 39.2 mt-10 -109.71 -34.73 6.39 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.767 -0.373 . . . . 2.1800000000000002 111.747 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 530' ' ' ARG . 1.8 mmp_? -96.46 -40.76 8.92 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.51 0.559 . . . . 4.0999999999999996 112.51 -177.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -80.53 153.75 27.93 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.503 0.668 . . . . 0.60999999999999999 111.7 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . . . . . . . . . 69.4 t -127.64 137.7 31.28 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 114.959 -1.018 . . . . 0.28000000000000003 108.738 176.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -50.1 -48.41 19.87 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.483 2.122 . . . . 0.23999999999999999 112.219 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -62.06 -33.05 73.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 2.3399999999999999 111.681 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 12.6 t70 -69.38 -43.33 73.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.07 0.462 . . . . 1.0900000000000001 110.019 -179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 524' ' ' PHE . 99.6 t -64.17 -39.95 87.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.681 -0.69 . . . . 0.28000000000000003 110.451 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.625 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.04 -27.22 68.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.376 -0.375 . . . . 0.17000000000000001 110.614 176.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.581 ' HG2' ' HE2' ' A' ' 551' ' ' HIS . 0.0 OUTLIER -68.01 -45.57 73.65 Favored 'General case' 0 CA--C 1.519 -0.249 0 N-CA-C 110.057 -0.349 . . . . 1.0800000000000001 110.057 173.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -55.68 -45.37 77.79 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.865 -0.607 . . . . 2.0699999999999998 109.524 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.525 ' HB3' ' CG2' ' A' ' 546' ' ' VAL . 55.5 mtt -54.68 -44.17 73.09 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.972 -1.013 . . . . 0.25 111.487 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.649 ' HA ' ' O ' ' A' ' 546' ' ' VAL . 61.0 t -69.59 -44.01 79.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.322 -0.399 . . . . 0.23999999999999999 110.985 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -70.42 -40.79 73.64 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.673 0.249 . . . . 0.77000000000000002 111.673 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 39.0 m -74.7 -11.67 60.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.739 0.304 . . . . 1.22 111.465 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 94.97 29.18 9.27 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.581 -0.818 . . . . 0.54000000000000004 113.62 174.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -100.57 -43.51 6.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.259 0.552 . . . . 0.56000000000000005 110.379 176.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.649 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 92.3 t -120.42 147.97 23.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.56 -0.746 . . . . 0.17000000000000001 111.064 -173.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . . . . . . . . . 38.1 t -83.03 144.0 30.23 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.531 -0.759 . . . . 0.42999999999999999 109.15 174.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -59.46 -23.69 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.698 -0.683 . . . . 2.7200000000000002 111.929 -174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -75.86 -20.7 77.68 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.851 -0.69 . . . . 0.32000000000000001 112.096 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -100.53 7.46 44.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.884 0.373 . . . . 1.23 110.451 -178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . 0.581 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 45.3 t-80 -53.32 -47.44 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.23999999999999999 110.637 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -64.81 -41.06 96.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.716 -0.675 . . . . 2.8999999999999999 110.429 -179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . 0.509 HG23 ' HA ' ' A' ' 483' ' ' THR . 25.1 m -61.96 -49.04 77.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.01 -0.996 . . . . 0.34999999999999998 111.485 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.578 ' O ' HG13 ' A' ' 558' ' ' ILE . 24.8 mmt -66.91 -44.79 79.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.923 -0.58 . . . . 0.14000000000000001 111.164 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -59.54 -34.8 73.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.501 . . . . 0.17000000000000001 110.712 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -68.84 -35.79 77.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.868 -0.605 . . . . 1.8300000000000001 110.102 178.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.54 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -65.31 -43.06 92.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.203 0.525 . . . . 0.17999999999999999 109.936 174.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.578 HG13 ' O ' ' A' ' 554' ' ' MET . 62.3 mt -64.13 -50.57 76.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.071 -0.968 . . . . 0.17999999999999999 110.617 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -64.37 -33.5 76.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.02 -0.536 . . . . 2.2000000000000002 110.851 -176.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . 0.456 ' O ' ' HG ' ' A' ' 564' ' ' LEU . 18.2 t70 -55.96 -42.79 76.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.042 0.449 . . . . 1.03 110.272 178.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.417 ' HG3' HD11 ' A' ' 565' ' ' ILE . 16.2 tpp180 -76.25 -49.07 18.06 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.742 -0.663 . . . . 1.5700000000000001 111.087 178.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 558' ' ' ILE . 60.2 t -60.67 -35.79 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.714 -0.221 . . . . 0.23999999999999999 111.445 -175.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 20.6 t -61.12 -43.67 98.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.993 -0.373 . . . . 0.83999999999999997 109.993 176.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 560' ' ' ASP . 83.9 mt -66.17 -45.02 82.37 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.893 -0.594 . . . . 1.7 110.42 177.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.422 HD13 ' CD1' ' A' ' 500' ' ' ILE . 89.0 mt -53.22 -57.62 4.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.452 -0.795 . . . . 0.57999999999999996 111.376 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.52 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 98.3 mttt -60.66 -38.43 84.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.951 -0.568 . . . . 0.88 110.669 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -62.86 -44.97 94.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 3.0 110.909 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -64.47 -29.99 71.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.863 0.364 . . . . 3.4700000000000002 110.763 178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -75.62 -20.89 58.21 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.907 -0.588 . . . . 3.0499999999999998 111.301 178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.52 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 9.1 mm-40 -79.41 52.18 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.18 0.514 . . . . 2.1600000000000001 111.063 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -137.69 131.7 31.79 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.476 -0.784 . . . . 5.2800000000000002 109.247 178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.574 -0.727 . . . . 8.0299999999999994 109.986 -179.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.769 -0.532 . . . . 9.5 111.769 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 477' ' ' MET . . . -140.06 7.12 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.679 0.239 . . . . 7.3399999999999999 111.179 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' A' ' 476' ' ' ALA . 13.8 tpt 71.65 -42.64 0.54 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.22 0.608 . . . . 10.949999999999999 110.871 -174.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' ASP . . . . . 0.436 ' HA ' ' HD3' ' A' ' 479' ' ' PRO . 2.9 p30 -74.78 134.64 75.18 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 121.066 0.46 . . . . 6.7800000000000002 109.787 172.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 478' ' ' ASP . 41.0 Cg_exo -60.1 -32.3 94.5 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.969 2.446 . . . . 7.4500000000000002 111.808 175.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.436 ' O ' ' HB3' ' A' ' 481' ' ' GLU . 52.8 tt0 -174.39 85.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.283 -0.872 . . . . 7.3399999999999999 109.881 176.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 480' ' ' GLN . 39.0 tt0 77.31 129.45 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 O-C-N 124.026 0.829 . . . . 6.0300000000000002 111.549 178.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.63 87.32 0.33 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.609 -0.723 . . . . 5.9199999999999999 110.327 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 4.9 m -86.77 148.85 25.23 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.561 -0.903 . . . . 1.7 108.561 176.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . -74.31 34.73 0.95 Allowed Glycine 0 CA--C 1.52 0.355 0 C-N-CA 121.132 -0.556 . . . . 0.57999999999999996 113.773 -174.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.51 ' CG2' ' HB2' ' A' ' 557' ' ' ALA . 0.8 OUTLIER -150.38 155.87 7.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 123.089 0.555 . . . . 0.35999999999999999 110.273 179.687 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' ARG . . . . . 0.444 ' HD3' ' H ' ' A' ' 487' ' ' VAL . 16.4 tpp180 -163.37 134.07 4.58 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.961 -0.563 . . . . 2.96 110.315 177.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 502' ' ' LEU . 47.8 t -107.46 132.3 55.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.538 -0.756 . . . . 0.23000000000000001 111.173 -176.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -114.41 160.21 19.41 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.378 -0.828 . . . . 2.0099999999999998 110.602 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' LEU . . . . . 0.558 HD23 HD23 ' A' ' 502' ' ' LEU . 58.2 mt -91.56 133.84 35.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.685 -0.689 . . . . 0.37 110.022 178.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' ALA . . . . . 0.466 ' HB2' ' CD1' ' A' ' 503' ' ' TRP . . . -83.28 -2.96 56.92 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.404 0.621 . . . . 0.42999999999999999 110.544 178.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -156.47 169.55 24.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.455 -0.793 . . . . 2.02 109.984 -177.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.78 117.18 15.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.203 -0.453 . . . . 2.3599999999999999 110.178 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -82.9 95.58 8.01 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.097 0.475 . . . . 1.3700000000000001 111.349 -177.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -169.33 134.01 1.45 Allowed 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.078 -1.082 . . . . 3.3799999999999999 108.078 173.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' GLY . . . . . . . . . . . . . . . 127.75 12.51 2.98 Favored Glycine 0 C--N 1.312 -0.798 0 C-N-CA 120.802 -0.713 . . . . 2.4500000000000002 112.042 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 61.57 41.81 11.94 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.997 0.903 . . . . 3.3500000000000001 109.853 177.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' LYS . . . . . . . . . . . . . 15.4 mtpp -70.56 113.97 8.2 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.176 -1.375 . . . . 1.75 109.862 -177.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' ILE . . . . . . . . . . . . . 31.6 mm -73.14 -33.92 43.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-O 121.656 0.741 . . . . 0.68000000000000005 109.624 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' ALA . . . . . . . . . . . . . . . -122.21 123.55 41.76 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 114.734 -1.121 . . . . 0.45000000000000001 110.127 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' ILE . . . . . . . . . . . . . 13.2 pt -117.99 176.7 2.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.726 -0.67 . . . . 0.31 111.014 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -122.69 115.61 22.37 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.681 -0.69 . . . . 1.8100000000000001 109.478 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' LEU . . . . . 0.558 HD23 HD23 ' A' ' 489' ' ' LEU . 44.2 mt -113.85 160.33 18.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.814 -0.63 . . . . 0.59999999999999998 110.833 -175.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' TRP . . . . . 0.657 ' CE2' ' HB2' ' A' ' 523' ' ' GLU . 41.3 m95 -124.56 124.69 42.78 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.852 -0.425 . . . . 0.34000000000000002 109.852 168.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' LEU . . . . . 0.578 HD21 ' SD ' ' A' ' 554' ' ' MET . 28.8 tp -85.77 109.83 18.92 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.372 -0.377 . . . . 0.28999999999999998 110.429 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' ARG . . . . . . . . . . . . . 17.1 mtt180 -102.2 137.16 40.84 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.948 0.404 . . . . 3.3300000000000001 110.392 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' ILE . . . . . 0.539 HG21 HG22 ' A' ' 509' ' ' ILE . 28.4 mm -88.76 121.56 39.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 115.877 -0.601 . . . . 0.51000000000000001 109.634 176.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -86.75 -28.22 23.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.85 -0.614 . . . . 1.52 111.057 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -148.75 98.14 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.005 -0.543 . . . . 0.70999999999999996 109.628 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.539 HG22 HG21 ' A' ' 506' ' ' ILE . 2.6 pp -74.74 -24.32 18.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 112.86 0.689 . . . . 0.70999999999999996 112.86 -172.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . 0.4 ' HD2' ' N ' ' A' ' 511' ' ' LYS . 0.8 OUTLIER -88.5 -14.24 38.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 120.722 -0.391 . . . . 3.1499999999999999 111.77 -173.529 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 510' ' ' LYS . 26.4 mmmt -81.6 -14.48 56.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.918 0.39 . . . . 3.1899999999999999 110.586 174.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' LEU . . . . . 0.598 HD22 ' OD2' ' A' ' 550' ' ' ASP . 71.3 mt -94.14 160.68 14.59 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.324 0.583 . . . . 0.57999999999999996 111.828 -175.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' LYS . . . . . 0.459 ' O ' ' HB3' ' A' ' 547' ' ' CYS . 69.4 mmtt -94.0 87.22 5.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.31 -0.859 . . . . 3.2999999999999998 109.786 173.088 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' GLY . . . . . . . . . . . . . . . 159.69 166.66 19.04 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 121.066 -0.588 . . . . 0.95999999999999996 111.914 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -93.15 106.61 18.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.858 0.361 . . . . 3.5299999999999998 110.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -128.74 149.28 50.77 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.229 -0.441 . . . . 0.72999999999999998 109.934 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -87.9 144.42 26.58 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.437 -0.347 . . . . 1.98 110.225 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.66 32.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.052 0.76 . . . . 2.29 113.052 -167.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 30.5 p30 179.4 25.13 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.095 -0.502 . . . . 2.5600000000000001 111.792 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -96.38 154.52 17.22 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-O 121.139 0.495 . . . . 1.52 110.609 -178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -127.62 148.01 50.37 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.323 -0.853 . . . . 0.42999999999999999 110.297 177.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' ILE . . . . . 0.661 HD13 ' HB3' ' A' ' 545' ' ' TYR . 82.1 mt -120.81 103.53 13.99 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.334 -0.848 . . . . 0.39000000000000001 110.184 -178.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' GLU . . . . . 0.657 ' HB2' ' CE2' ' A' ' 503' ' ' TRP . 12.8 tt0 -70.24 124.83 25.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.339 -0.392 . . . . 0.59999999999999998 110.697 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' PHE . . . . . 0.429 ' CZ ' HG12 ' A' ' 558' ' ' ILE . 26.5 p90 -144.47 140.1 28.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.221 -0.445 . . . . 0.23999999999999999 109.821 178.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' SER . . . . . . . . . . . . . 49.5 m -90.47 144.43 25.8 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.764 -0.458 . . . . 1.24 109.764 -179.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -131.38 118.22 19.96 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 120.31 -0.556 . . . . 0.27000000000000002 111.1 -175.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -83.27 105.8 14.53 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.87 -1.159 . . . . 0.57999999999999996 107.87 170.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' LEU . . . . . 0.413 HD22 HG13 ' A' ' 562' ' ' VAL . 57.0 mt -61.26 -18.79 60.13 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.679 -0.691 . . . . 0.51000000000000001 112.787 -169.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -104.89 -40.48 5.92 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.914 -0.314 . . . . 2.1800000000000002 111.53 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -86.38 -49.35 7.71 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.172 0.434 . . . . 4.0999999999999996 112.172 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -73.11 144.44 46.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.611 0.72 . . . . 0.60999999999999999 111.692 -173.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 536' ' ' VAL . 99.3 t -112.43 134.14 21.64 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 114.949 -1.023 . . . . 0.28000000000000003 108.849 176.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -49.93 -39.02 49.56 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.09 2.527 . . . . 0.23999999999999999 113.097 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' GLU . . . . . 0.404 ' H ' HG12 ' A' ' 532' ' ' VAL . 41.8 mt-10 -72.89 -34.88 66.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.833 0.349 . . . . 2.3399999999999999 110.94 177.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' ASP . . . . . 0.521 ' O ' ' HB2' ' A' ' 538' ' ' GLN . 25.5 t70 -64.56 -44.73 89.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.638 0.733 . . . . 1.0900000000000001 110.319 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 532' ' ' VAL . 53.4 t -71.11 -36.56 63.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.075 -0.966 . . . . 0.28000000000000003 111.109 -178.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' ' 541' ' ' VAL . . . -64.25 -26.5 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.17000000000000001 110.138 175.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' GLN . . . . . 0.521 ' HB2' ' O ' ' A' ' 535' ' ' ASP . 8.3 mm100 -66.47 -47.79 71.95 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 109.907 -0.405 . . . . 1.0800000000000001 109.907 172.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -54.63 -40.4 68.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.137 0.494 . . . . 2.0699999999999998 110.027 175.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' MET . . . . . 0.501 ' HB3' HG23 ' A' ' 546' ' ' VAL . 53.4 mtt -57.19 -46.4 82.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.305 -0.861 . . . . 0.25 111.324 177.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 537' ' ' ALA . 58.7 t -69.68 -47.84 68.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.895 -0.593 . . . . 0.23999999999999999 110.862 179.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -60.21 -35.16 74.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.77000000000000002 111.864 -177.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' SER . . . . . . . . . . . . . 15.4 m -84.53 -4.8 59.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.647 0.26 . . . . 1.22 111.518 -176.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' GLY . . . . . . . . . . . . . . . 89.15 17.63 55.38 Favored Glycine 0 CA--C 1.517 0.196 0 C-N-CA 120.63 -0.795 . . . . 0.54000000000000004 113.539 176.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' TYR . . . . . 0.661 ' HB3' HD13 ' A' ' 522' ' ' ILE . 49.4 m-85 -87.52 -53.82 4.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.09 0.471 . . . . 0.56000000000000005 110.102 177.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' VAL . . . . . 0.552 ' O ' ' HA ' ' A' ' 541' ' ' VAL . 87.2 t -106.59 146.57 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.609 -0.723 . . . . 0.17000000000000001 110.418 -178.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' CYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 513' ' ' LYS . 42.4 t -84.86 145.27 27.9 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.665 -0.865 . . . . 0.42999999999999999 108.665 173.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -3.53 3.15 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.699 0.629 . . . . 2.7200000000000002 112.699 -172.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' GLY . . . . . . . . . . . . . . . -86.36 -11.73 71.53 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.626 -0.797 . . . . 0.32000000000000001 112.884 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' ASP . . . . . 0.598 ' OD2' HD22 ' A' ' 512' ' ' LEU . 4.6 t70 -123.25 26.87 7.79 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.076 0.465 . . . . 1.23 111.004 -178.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' HIS . . . . . 0.516 ' HE2' ' HG2' ' A' ' 538' ' ' GLN . 28.0 t-80 -57.99 -49.96 75.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.09 -0.505 . . . . 0.23999999999999999 111.305 -178.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -67.91 -31.72 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.095 0.474 . . . . 2.8999999999999999 110.824 -176.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' THR . . . . . 0.439 ' HB ' ' CG ' ' A' ' 550' ' ' ASP . 80.5 m -66.67 -49.0 67.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.565 -0.743 . . . . 0.34999999999999998 111.027 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' MET . . . . . 0.578 ' SD ' HD21 ' A' ' 504' ' ' LEU . 25.5 mmt -63.51 -42.12 98.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.859 -0.609 . . . . 0.14000000000000001 110.436 179.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' ALA . . . . . . . . . . . . . . . -58.87 -35.94 73.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.373 -0.831 . . . . 0.17000000000000001 110.699 177.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -69.53 -39.94 77.2 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 116.103 -0.499 . . . . 1.8300000000000001 110.452 179.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' ALA . . . . . 0.51 ' HB2' ' CG2' ' A' ' 485' ' ' VAL . . . -59.46 -47.16 86.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.303 0.573 . . . . 0.17999999999999999 110.096 176.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' ILE . . . . . 0.429 HG12 ' CZ ' ' A' ' 524' ' ' PHE . 81.3 mt -59.83 -53.57 46.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 114.976 -1.011 . . . . 0.17999999999999999 110.702 176.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -63.0 -37.05 85.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 2.2000000000000002 111.499 -177.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -61.58 -48.57 80.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.071 0.462 . . . . 1.03 109.939 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 561' ' ' ARG . 8.3 tpt180 -66.89 -46.48 74.78 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.576 -0.738 . . . . 1.5700000000000001 110.463 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 558' ' ' ILE . 57.6 t -58.15 -38.61 68.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.429 -0.35 . . . . 0.23999999999999999 110.973 178.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' SER . . . . . . . . . . . . . 7.6 t -63.94 -43.54 95.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.232 -0.44 . . . . 0.83999999999999997 110.269 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.56 -40.4 92.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.326 0.584 . . . . 1.7 110.359 177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' ILE . . . . . 0.448 ' O ' ' HG3' ' A' ' 569' ' ' ARG . 73.0 mt -58.07 -52.55 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.224 -0.898 . . . . 0.57999999999999996 111.097 176.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 570' ' ' GLU . 96.2 mttt -69.14 -28.61 66.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.024 -0.534 . . . . 0.88 111.319 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -61.89 -43.43 98.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.356 -0.384 . . . . 3.0 110.544 176.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -66.15 -30.31 70.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.405 0.621 . . . . 3.4700000000000002 110.345 176.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 565' ' ' ILE . 93.4 mtt180 -81.94 2.65 29.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.403 -0.817 . . . . 3.0499999999999998 111.964 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 566' ' ' LYS . 23.5 mm-40 -88.17 10.73 18.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.75 0.785 . . . . 2.1600000000000001 109.114 172.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -135.8 54.03 1.93 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.475 -1.239 . . . . 5.2800000000000002 108.787 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 569' ' ' ARG . 74.8 mtt180 . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.551 -0.749 . . . . 8.0299999999999994 110.139 -178.143 . . . . . . . . 1 1 . 1 stop_ save_