data_2jmf_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 2jmf _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 ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.169 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.75 156.42 66.06 Favored 'Trans proline' 0 CA--C 1.55 1.291 0 C-N-CA 123.813 3.009 . . . . 0.0 113.668 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -72.93 113.74 3.85 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.083 3.189 . . . . 0.0 113.16 -170.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 67.37 25.66 73.65 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 114.859 0.704 . . . . 0.0 114.859 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -120.38 161.59 20.92 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.296 1.838 . . . . 0.0 111.276 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -129.93 150.78 51.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.184 1.794 . . . . 0.0 109.245 171.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.9 mp -142.42 124.16 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 125.194 1.398 . . . . 0.0 108.643 -168.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -131.28 160.09 35.95 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.339 1.056 . . . . 0.0 111.709 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -132.3 109.33 9.81 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.878 1.671 . . . . 0.0 108.871 -171.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 70.4 p -81.16 160.5 24.36 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.347 0.659 . . . . 0.0 112.417 -175.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.12 -16.16 59.09 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.51 -11.59 60.07 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.738 1.215 . . . . 0.0 114.032 170.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 85.08 31.88 21.98 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.333 0.968 . . . . 0.0 113.329 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -127.93 156.1 43.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.289 1.435 . . . . 0.0 111.708 -176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -116.83 140.74 49.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.713 1.605 . . . . 0.0 110.753 -174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.99 155.78 46.95 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.258 1.423 . . . . 0.0 110.937 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -118.96 146.77 44.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.855 1.262 . . . . 0.0 110.166 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.97 123.12 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 126.248 1.819 . . . . 0.0 109.545 -168.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.72 104.06 13.8 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.119 1.367 . . . . 0.0 110.512 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -66.98 -19.57 65.74 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -71.02 -31.39 67.86 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.453 1.101 . . . . 0.0 113.382 -176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 49.6 p -133.5 4.11 3.64 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.543 1.537 . . . . 0.0 113.612 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.5 ttm105 62.35 14.28 6.71 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.585 2.354 . . . . 0.0 114.751 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -71.34 163.18 28.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.393 1.477 . . . . 0.0 112.982 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 27.2 p -147.75 153.1 38.81 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.812 1.645 . . . . 0.0 111.146 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.7 t -156.09 161.16 40.42 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.763 0.825 . . . . 0.0 112.663 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -83.96 -12.85 54.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.291 1.836 . . . . 0.0 113.64 -176.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 CA--C 1.547 0.862 0 C-N-CA 126.131 1.773 . . . . 0.0 111.505 -173.218 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo . . . . . 0 CA--C 1.544 1.004 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.72 121.85 8.31 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.497 2.131 . . . . 0.0 110.594 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 73.3 m -148.99 93.4 2.1 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.371 1.468 . . . . 0.0 109.773 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -87.7 -89.29 0.13 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.799 0.839 . . . . 0.0 109.81 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.95 -36.72 68.12 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.498 1.519 . . . . 0.0 112.238 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.9 -17.14 63.93 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.2 t -95.29 -38.97 10.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.232 1.013 . . . . 0.0 112.209 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 12.3 pt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -175.803 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.194 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.73 156.17 66.35 Favored 'Trans proline' 0 CA--C 1.549 1.269 0 C-N-CA 123.676 2.917 . . . . 0.0 113.584 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.88 112.79 3.48 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.026 3.151 . . . . 0.0 113.167 -169.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.21 23.49 71.53 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 123.911 0.767 . . . . 0.0 114.935 176.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -116.66 160.71 20.31 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.116 1.766 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -130.02 149.62 51.65 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.246 1.819 . . . . 0.0 109.019 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.2 mp -143.5 121.02 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.08 1.352 . . . . 0.0 108.315 -168.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -129.35 159.81 35.02 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.14 0.976 . . . . 0.0 111.542 -171.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -129.51 97.45 4.55 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.71 1.604 . . . . 0.0 108.971 -168.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 80.4 p -67.01 153.87 42.58 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.625 0.77 . . . . 0.0 112.01 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.37 -14.47 50.48 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.97 -12.86 58.0 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.768 1.227 . . . . 0.0 113.884 167.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 88.48 31.31 13.72 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.801 1.191 . . . . 0.0 112.938 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -131.16 129.34 41.64 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.535 1.134 . . . . 0.0 111.682 -169.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -86.34 142.19 28.67 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.015 1.326 . . . . 0.0 111.59 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -139.33 157.98 44.94 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.566 1.547 . . . . 0.0 110.568 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.29 151.0 33.6 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.443 1.497 . . . . 0.0 110.607 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.4 t -139.19 129.2 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 126.656 1.982 . . . . 0.0 108.949 -169.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -115.2 114.48 25.3 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.324 1.05 . . . . 0.0 110.368 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -74.86 -19.95 59.95 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -67.44 -29.44 68.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.04 0.936 . . . . 0.0 112.992 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 72.0 p -134.14 6.03 3.59 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.631 1.572 . . . . 0.0 113.66 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 65.85 2.63 2.24 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.226 2.61 . . . . 0.0 115.248 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 10.2 ptm85 -75.68 171.98 13.41 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.625 1.17 . . . . 0.0 113.858 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 48.2 p -143.85 163.62 32.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.571 1.548 . . . . 0.0 112.095 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.0 t -160.48 157.54 27.77 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.88 1.272 . . . . 0.0 111.568 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -82.73 -15.33 52.25 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.032 1.333 . . . . 0.0 113.333 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 CA--C 1.545 0.787 0 C-N-CA 124.877 1.271 . . . . 0.0 112.33 -172.655 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo . . . . . 0 CA--C 1.543 0.955 0 N-CA-C 110.634 -0.564 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.51 133.97 29.43 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.258 1.972 . . . . 0.0 110.146 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 39.5 m -158.73 84.3 0.82 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.961 1.304 . . . . 0.0 109.881 -177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 60.5 t80 -80.34 -88.94 0.07 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.52 0.728 . . . . 0.0 110.243 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.16 -32.09 70.72 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.046 -1.034 . . . . 0.0 112.595 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.59 -11.7 58.72 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 19.3 t -109.1 -30.4 8.07 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.628 1.171 . . . . 0.0 112.978 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.667 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.21 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.85 154.01 74.09 Favored 'Trans proline' 0 CA--C 1.549 1.246 0 C-N-CA 123.468 2.779 . . . . 0.0 113.662 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.47 112.02 3.25 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.937 3.091 . . . . 0.0 112.987 -169.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.81 26.61 72.21 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 123.705 0.669 . . . . 0.0 114.706 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -120.77 163.29 18.35 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.652 1.981 . . . . 0.0 111.309 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -137.8 149.09 46.08 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.148 1.779 . . . . 0.0 108.648 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -144.98 129.95 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 120.941 -1.1 . . . . 0.0 109.843 -168.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -124.76 153.01 43.08 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.024 1.33 . . . . 0.0 111.153 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -120.48 106.19 11.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.102 1.761 . . . . 0.0 108.195 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 74.2 p -74.3 156.78 36.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.792 0.837 . . . . 0.0 112.328 -176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.45 57.27 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.62 -12.33 61.2 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.682 1.193 . . . . 0.0 114.031 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.76 32.65 12.54 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.187 0.898 . . . . 0.0 113.231 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -135.96 144.48 45.43 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.095 1.358 . . . . 0.0 111.861 -173.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -103.53 143.24 32.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.645 1.178 . . . . 0.0 111.685 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -140.05 143.78 36.54 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.167 1.387 . . . . 0.0 110.902 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -98.98 149.99 22.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.285 1.034 . . . . 0.0 111.093 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 73.2 t -138.42 128.23 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.111 2.164 . . . . 0.0 108.939 -171.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -112.64 119.93 39.79 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.772 1.229 . . . . 0.0 110.256 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -82.37 -11.19 58.73 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -77.46 -32.47 54.48 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.597 1.159 . . . . 0.0 112.474 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 64.8 p -134.67 7.73 3.54 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.961 1.704 . . . . 0.0 113.455 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 67.4 7.71 5.75 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.521 2.329 . . . . 0.0 114.983 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -70.8 167.27 19.22 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.463 1.505 . . . . 0.0 113.458 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 28.2 p -145.44 159.53 42.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.341 1.856 . . . . 0.0 111.346 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -157.51 149.77 22.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.53 0.732 . . . . 0.0 112.532 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.73 -15.95 60.76 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.879 1.672 . . . . 0.0 113.2 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 127.051 2.141 . . . . 0.0 111.036 -174.776 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo . . . . . 0 CA--C 1.545 1.037 0 N-CA-C 110.907 -0.459 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.27 122.52 8.77 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.449 2.099 . . . . 0.0 110.51 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.3 m -148.94 77.77 1.38 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.137 1.375 . . . . 0.0 110.14 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 61.6 t80 -78.67 -89.59 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.624 0.77 . . . . 0.0 110.571 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.09 -29.27 69.65 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.727 -1.233 . . . . 0.0 112.661 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -70.65 -7.75 46.73 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 20.0 t -115.25 -36.61 4.3 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.564 1.145 . . . . 0.0 112.503 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 N--CA 1.481 1.112 0 C-N-CA 124.032 0.933 . . . . 0.0 113.48 178.222 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.557 1.219 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.93 158.71 55.83 Favored 'Trans proline' 0 CA--C 1.55 1.287 0 C-N-CA 124.049 3.166 . . . . 0.0 113.774 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -72.35 113.56 3.74 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.983 3.122 . . . . 0.0 113.178 -171.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 62.57 25.92 67.72 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 123.949 0.785 . . . . 0.0 114.97 176.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -116.55 157.71 24.82 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.42 1.888 . . . . 0.0 110.728 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -125.39 147.5 49.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.016 1.726 . . . . 0.0 109.068 170.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.1 mp -140.99 125.71 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.467 1.107 . . . . 0.0 108.244 -171.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -131.39 157.73 42.65 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.2 1.0 . . . . 0.0 111.154 -173.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -124.17 105.35 9.44 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.866 1.666 . . . . 0.0 108.651 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 67.4 p -65.76 145.72 55.65 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.376 0.67 . . . . 0.0 111.346 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.26 64.02 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.53 -15.3 63.49 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.06 1.344 . . . . 0.0 114.254 171.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 113.61 23.85 4.9 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.697 1.142 . . . . 0.0 115.82 168.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -135.21 142.14 45.97 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.442 1.621 . . . . 0.0 113.098 -173.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -88.63 143.5 26.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.719 1.608 . . . . 0.0 111.952 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -139.18 154.68 48.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.194 1.797 . . . . 0.0 110.488 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -114.2 146.22 40.66 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.455 1.102 . . . . 0.0 110.832 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 92.8 t -135.56 128.55 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.932 2.093 . . . . 0.0 109.359 -169.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -115.96 118.41 32.86 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.452 1.101 . . . . 0.0 109.984 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -78.46 -17.38 56.39 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -69.92 -31.76 69.7 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.871 1.268 . . . . 0.0 113.139 -174.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 28.2 p -131.18 8.07 4.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.993 1.317 . . . . 0.0 113.469 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 69.36 2.65 3.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.866 2.466 . . . . 0.0 115.141 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -69.81 169.27 13.37 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.27 1.428 . . . . 0.0 113.948 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 15.6 p -145.26 162.79 36.32 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.106 1.763 . . . . 0.0 111.593 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.5 t -160.4 156.93 26.91 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.014 0.926 . . . . 0.0 112.678 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -85.74 -16.94 37.3 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.885 1.674 . . . . 0.0 113.402 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 126.255 1.822 . . . . 0.0 110.757 -174.457 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo . . . . . 0 CA--C 1.544 0.983 0 N-CA-C 110.333 -0.68 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.53 124.13 10.49 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 122.085 1.857 . . . . 0.0 110.328 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.9 m -147.74 85.63 1.57 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.325 1.45 . . . . 0.0 109.326 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 75.0 t80 -82.66 -88.52 0.09 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.753 0.821 . . . . 0.0 109.306 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.54 -34.06 72.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.623 1.569 . . . . 0.0 112.242 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.2 -15.34 62.92 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 177.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.5 t -100.14 -40.57 7.52 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.193 0.997 . . . . 0.0 112.027 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -176.508 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.197 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.75 152.39 80.66 Favored 'Trans proline' 0 CA--C 1.548 1.221 0 C-N-CA 123.355 2.703 . . . . 0.0 113.629 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.04 111.72 2.94 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.967 3.111 . . . . 0.0 113.122 -166.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.84 22.52 72.08 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 123.955 0.788 . . . . 0.0 114.873 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -112.68 161.54 16.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.883 1.673 . . . . 0.0 111.516 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -129.85 149.64 51.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.297 1.839 . . . . 0.0 108.938 170.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.3 mp -143.03 122.66 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.151 1.38 . . . . 0.0 108.365 -169.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -130.6 160.26 34.72 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.079 0.952 . . . . 0.0 111.746 -171.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -130.39 110.45 11.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.945 1.698 . . . . 0.0 108.953 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 55.7 p -79.22 161.7 26.19 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.426 0.632 . . . . 0.0 112.034 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.99 -15.24 42.46 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.94 -10.75 60.26 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 170.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 86.25 34.17 12.95 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.338 0.97 . . . . 0.0 113.115 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -128.37 134.07 48.77 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.96 1.304 . . . . 0.0 111.353 -170.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -95.47 138.16 33.54 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.294 1.438 . . . . 0.0 110.836 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -137.55 155.22 49.48 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.607 1.563 . . . . 0.0 110.439 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -115.58 148.13 39.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.236 1.014 . . . . 0.0 110.526 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 99.6 t -137.24 128.12 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 126.653 1.981 . . . . 0.0 109.037 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -115.67 111.43 20.6 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.45 1.1 . . . . 0.0 110.484 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -71.32 -21.21 62.09 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -68.04 -29.91 69.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.963 0.905 . . . . 0.0 113.248 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 68.6 p -133.48 8.19 3.91 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.401 1.48 . . . . 0.0 113.522 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 63.79 2.99 1.44 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.174 2.589 . . . . 0.0 115.512 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -73.53 170.85 14.3 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.781 1.232 . . . . 0.0 113.652 -176.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 51.3 p -143.02 165.26 27.84 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.796 1.638 . . . . 0.0 111.516 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 4.9 t -160.28 157.4 28.01 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.126 0.971 . . . . 0.0 112.392 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -79.66 -12.44 59.82 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.31 1.844 . . . . 0.0 113.812 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 125.799 1.639 . . . . 0.0 111.506 -171.276 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo . . . . . 0 CA--C 1.544 1.001 0 N-CA-C 110.901 -0.461 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.24 128.29 14.5 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.42 2.08 . . . . 0.0 110.441 173.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 49.9 m -152.14 85.92 1.29 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.697 1.199 . . . . 0.0 110.139 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 55.6 t80 -81.71 -88.78 0.08 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.457 0.703 . . . . 0.0 110.214 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -60.96 -31.95 71.49 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.898 -1.126 . . . . 0.0 112.313 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.96 -4.82 18.18 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 40.2 t -114.31 -41.28 3.5 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.823 1.249 . . . . 0.0 111.974 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 -177.12 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.555 1.172 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.33 157.45 61.17 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.79 2.993 . . . . 0.0 113.752 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -72.11 112.68 3.48 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.028 3.152 . . . . 0.0 113.071 -170.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 64.92 27.61 72.4 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 114.858 0.703 . . . . 0.0 114.858 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -121.25 160.03 24.73 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.521 1.928 . . . . 0.0 111.135 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -128.2 150.76 49.88 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.034 1.734 . . . . 0.0 109.382 170.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -141.04 122.19 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.55 1.54 . . . . 0.0 108.422 -170.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.49 157.94 41.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.781 0.832 . . . . 0.0 111.581 -173.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -130.95 99.83 5.04 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.806 1.642 . . . . 0.0 108.846 -167.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 71.6 p -69.77 157.29 37.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.47 0.708 . . . . 0.0 112.559 -175.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.25 -13.39 27.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -73.76 -8.99 58.18 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.531 1.133 . . . . 0.0 113.78 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.81 30.63 25.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.059 0.838 . . . . 0.0 113.166 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -129.5 132.12 46.82 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.783 1.233 . . . . 0.0 111.471 -175.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 10.7 ttp85 -88.47 143.83 26.74 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.716 1.606 . . . . 0.0 111.265 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -139.22 157.01 46.67 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.888 1.675 . . . . 0.0 110.493 175.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -117.86 149.52 40.71 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.703 1.201 . . . . 0.0 110.346 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 90.2 t -135.21 125.62 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.449 1.9 . . . . 0.0 109.565 -168.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.55 100.32 9.59 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.087 1.355 . . . . 0.0 110.716 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -63.78 -18.87 64.52 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -71.45 -28.53 64.03 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.242 1.017 . . . . 0.0 113.235 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 62.3 p -133.56 4.94 3.68 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.144 1.378 . . . . 0.0 113.903 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 64.44 3.63 1.94 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.599 2.359 . . . . 0.0 114.632 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -72.78 168.34 19.01 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.17 1.388 . . . . 0.0 113.089 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 34.1 p -145.44 161.92 38.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.891 1.677 . . . . 0.0 111.363 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.8 t -158.81 160.1 35.86 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.904 0.882 . . . . 0.0 112.605 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -84.31 -11.29 56.64 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.387 1.875 . . . . 0.0 113.395 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 125.81 1.644 . . . . 0.0 111.642 -172.175 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo . . . . . 0 CA--C 1.544 1.0 0 N-CA-C 110.565 -0.59 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.31 129.71 17.47 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.329 2.019 . . . . 0.0 110.557 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 57.8 m -152.53 87.57 1.31 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.712 1.205 . . . . 0.0 109.687 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.5 t80 -82.65 -87.16 0.1 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.52 0.728 . . . . 0.0 109.943 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.73 -35.34 74.35 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.014 -1.054 . . . . 0.0 112.895 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.58 -7.13 35.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 34.7 t -105.45 -38.85 6.33 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.211 1.004 . . . . 0.0 112.748 169.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 7.1 pt . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -177.029 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.177 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.55 155.75 68.93 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 124.207 3.271 . . . . 0.0 113.745 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.26 112.92 3.55 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.879 3.053 . . . . 0.0 112.868 -171.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.24 27.46 73.0 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.866 0.706 . . . . 0.0 114.866 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -123.39 162.32 23.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.328 1.851 . . . . 0.0 111.425 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -135.15 148.48 49.75 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.066 2.146 . . . . 0.0 108.893 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -140.05 120.73 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.736 1.215 . . . . 0.0 109.109 -169.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -130.76 145.46 51.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.593 1.157 . . . . 0.0 110.089 -168.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -125.82 101.96 7.09 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.677 1.591 . . . . 0.0 108.901 -169.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 63.8 p -69.77 155.9 39.83 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.836 0.854 . . . . 0.0 112.24 -174.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.05 -12.78 28.79 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -77.99 -4.51 47.38 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.664 1.186 . . . . 0.0 113.715 171.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 86.62 30.98 19.95 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.316 0.96 . . . . 0.0 113.684 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -131.8 134.12 45.45 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.532 1.133 . . . . 0.0 111.76 -174.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -91.5 144.5 25.49 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.722 1.209 . . . . 0.0 111.403 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -137.66 160.45 39.17 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.349 1.46 . . . . 0.0 110.752 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.8 151.83 27.35 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.581 1.553 . . . . 0.0 110.592 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 96.2 t -135.19 123.61 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.954 1.702 . . . . 0.0 109.373 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.16 103.89 14.96 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.015 1.326 . . . . 0.0 110.616 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -65.3 -19.04 65.78 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -75.42 -31.96 60.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.311 1.044 . . . . 0.0 113.54 -174.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 53.2 p -130.49 6.37 4.81 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.446 1.498 . . . . 0.0 113.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 64.98 4.36 2.46 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 128.006 2.523 . . . . 0.0 114.974 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -74.62 168.17 20.31 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.377 1.471 . . . . 0.0 113.023 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 41.4 p -147.13 160.45 42.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.664 1.586 . . . . 0.0 111.488 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.2 t -159.77 158.83 31.89 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.255 1.022 . . . . 0.0 112.057 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -82.6 -19.74 37.83 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.955 1.302 . . . . 0.0 113.499 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 125.057 1.343 . . . . 0.0 112.638 -169.802 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.545 1.053 0 CA-C-O 119.352 -0.353 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.64 125.07 10.8 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.722 2.281 . . . . 0.0 110.979 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 50.7 m -149.2 94.17 2.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.077 1.351 . . . . 0.0 110.045 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 47.7 t80 -89.75 -91.49 0.13 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.814 0.846 . . . . 0.0 110.307 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.46 -29.61 66.32 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.02 -1.05 . . . . 0.0 113.101 171.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.62 -18.71 65.51 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.8 t -97.47 -43.37 7.29 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.444 1.097 . . . . 0.0 112.243 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 11.4 pt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -174.521 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.188 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.33 154.95 72.47 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 123.538 2.826 . . . . 0.0 113.559 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.94 114.46 3.9 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.929 3.086 . . . . 0.0 113.138 -168.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.27 29.84 76.27 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 123.78 0.705 . . . . 0.0 114.665 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -121.79 162.66 20.48 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.301 1.84 . . . . 0.0 111.708 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -131.42 150.04 52.3 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.891 1.676 . . . . 0.0 109.441 169.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -141.32 122.6 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.418 1.487 . . . . 0.0 108.061 -170.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -129.95 158.66 38.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.524 1.129 . . . . 0.0 110.959 -172.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -131.96 104.19 6.71 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.783 1.633 . . . . 0.0 108.58 -170.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 61.6 p -71.99 158.28 36.27 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.471 0.653 . . . . 0.0 111.968 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.73 60.61 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.78 -13.23 62.27 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 168.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 95.69 19.67 28.82 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.192 1.377 . . . . 0.0 113.873 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -117.44 129.92 56.14 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.62 1.21 . . . . 0.0 111.557 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -84.19 141.0 31.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.063 0.945 . . . . 0.0 111.229 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -138.92 160.18 40.37 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.707 1.603 . . . . 0.0 110.496 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -118.24 149.89 40.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.496 1.519 . . . . 0.0 110.192 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.52 124.98 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.866 1.666 . . . . 0.0 109.831 -174.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -99.18 106.87 19.09 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.21 1.404 . . . . 0.0 110.418 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -68.63 -20.59 64.48 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.85 -30.81 68.39 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.615 1.166 . . . . 0.0 113.164 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.3 p -134.7 5.8 3.42 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.722 1.609 . . . . 0.0 113.673 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 63.9 7.02 3.04 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.572 2.349 . . . . 0.0 115.461 -174.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -68.88 164.84 21.16 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.409 1.484 . . . . 0.0 113.373 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 12.3 p -146.24 157.03 43.79 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.975 1.71 . . . . 0.0 111.835 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 1.8 t -157.87 146.39 19.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.275 1.03 . . . . 0.0 111.399 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -74.22 -37.73 63.75 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.167 0.987 . . . . 0.0 112.494 173.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 125.671 1.588 . . . . 0.0 111.239 -178.912 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo . . . . . 0 CA--C 1.546 1.076 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.99 120.29 6.94 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.534 2.156 . . . . 0.0 110.508 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 69.0 m -147.89 89.13 1.72 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.937 1.295 . . . . 0.0 109.825 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 81.0 t80 -88.93 -86.31 0.18 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.85 0.86 . . . . 0.0 109.288 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.42 -34.58 75.63 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.35 1.46 . . . . 0.0 112.293 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -69.03 -16.59 63.74 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.704 1.202 . . . . 0.0 114.127 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.1 t -97.91 -41.4 8.03 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.085 0.954 . . . . 0.0 111.99 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.9 pt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 -177.416 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.144 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.92 154.85 71.81 Favored 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.594 2.863 . . . . 0.0 113.518 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -72.13 112.51 3.44 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.92 3.08 . . . . 0.0 113.043 -169.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.41 73.11 Favored Glycine 0 CA--C 1.538 1.523 0 N-CA-C 114.874 0.71 . . . . 0.0 114.874 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -124.71 160.76 27.85 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.28 1.832 . . . . 0.0 111.418 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -126.94 151.83 47.97 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.102 1.761 . . . . 0.0 109.293 168.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -141.26 122.62 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.364 1.466 . . . . 0.0 108.073 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.63 161.18 33.31 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.614 0.766 . . . . 0.0 111.433 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -129.75 102.94 6.55 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.434 1.494 . . . . 0.0 108.647 -172.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 42.4 p -69.22 145.27 53.33 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.619 -0.675 . . . . 0.0 111.033 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -58.17 -20.83 44.04 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -71.33 -10.08 59.18 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.293 1.437 . . . . 0.0 114.647 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 105.03 34.86 3.33 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 115.576 0.99 . . . . 0.0 115.576 170.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -137.86 153.44 49.58 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.925 1.363 . . . . 0.0 112.446 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -103.86 142.55 34.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.385 1.474 . . . . 0.0 110.973 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -138.85 159.52 41.92 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.127 1.771 . . . . 0.0 111.019 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -121.32 147.71 45.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.85 1.26 . . . . 0.0 110.551 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.22 124.2 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.364 1.866 . . . . 0.0 109.763 -167.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -105.17 105.8 16.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.33 1.452 . . . . 0.0 110.6 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -69.54 -17.63 63.59 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -72.11 -31.21 65.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.172 0.989 . . . . 0.0 113.012 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 59.8 p -135.96 7.58 3.2 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.71 1.604 . . . . 0.0 113.542 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 65.33 10.02 6.16 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.986 2.514 . . . . 0.0 114.968 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -75.24 166.45 23.6 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.106 1.362 . . . . 0.0 113.027 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 24.3 p -145.6 156.78 43.89 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.744 1.618 . . . . 0.0 111.297 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.4 t -157.15 161.83 39.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.69 0.796 . . . . 0.0 112.528 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.75 -13.41 51.34 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.305 1.842 . . . . 0.0 113.279 -175.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.547 0.848 0 C-N-CA 126.049 1.739 . . . . 0.0 111.537 -172.171 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.544 0.977 0 N-CA-C 111.208 -0.343 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.67 124.39 10.67 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.723 2.282 . . . . 0.0 110.779 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 74.2 m -147.82 83.23 1.52 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.188 1.395 . . . . 0.0 109.918 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 72.3 t80 -81.97 -87.86 0.09 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.431 0.692 . . . . 0.0 110.303 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.23 -37.64 80.96 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.01 -1.056 . . . . 0.0 112.355 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.81 -10.46 37.92 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 43.8 t -98.33 -42.55 7.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.255 1.022 . . . . 0.0 112.246 168.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 12.0 pt . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -173.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.555 1.158 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.89 152.23 80.81 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.507 2.805 . . . . 0.0 113.568 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.29 112.36 3.31 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.874 3.049 . . . . 0.0 113.037 -168.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 71.08 23.73 77.79 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 114.975 0.75 . . . . 0.0 114.975 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -120.21 162.81 18.75 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.959 1.704 . . . . 0.0 111.686 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -131.28 152.87 50.13 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.326 1.851 . . . . 0.0 109.363 170.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.7 mp -141.11 131.98 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.52 1.528 . . . . 0.0 108.7 -170.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -132.69 151.62 51.92 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.842 1.257 . . . . 0.0 110.761 -171.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -125.26 98.94 5.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.856 1.663 . . . . 0.0 108.98 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 53.8 p -75.79 157.01 33.98 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.319 0.647 . . . . 0.0 112.529 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.99 58.95 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -72.4 -9.24 58.27 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 170.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.38 29.12 22.97 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.525 1.06 . . . . 0.0 113.08 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -124.94 122.52 37.59 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.671 1.188 . . . . 0.0 111.114 -172.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -82.6 143.19 31.18 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.666 1.186 . . . . 0.0 111.237 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -140.51 162.61 34.95 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.219 1.408 . . . . 0.0 111.037 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -119.31 154.04 34.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.797 1.639 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 91.0 t -140.18 126.88 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 126.374 1.869 . . . . 0.0 109.518 -170.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -108.83 105.96 15.76 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.113 1.365 . . . . 0.0 110.652 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -69.16 -15.6 63.45 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -73.73 -30.45 62.83 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.202 -0.936 . . . . 0.0 113.029 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 50.1 p -136.22 3.08 2.84 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 125.328 1.451 . . . . 0.0 113.898 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 66.36 5.99 4.04 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.676 2.39 . . . . 0.0 115.156 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -65.93 161.91 20.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.766 1.626 . . . . 0.0 112.618 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 82.3 p -146.48 163.87 34.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.511 1.524 . . . . 0.0 111.205 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 8.6 t -161.67 161.54 29.54 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.884 0.874 . . . . 0.0 112.782 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -90.32 -9.29 48.32 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.496 1.918 . . . . 0.0 113.105 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 N--CA 1.476 0.845 0 C-N-CA 124.77 1.228 . . . . 0.0 112.89 -174.064 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 CA--C 1.547 1.136 0 CA-C-O 119.224 -0.407 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.72 122.24 8.04 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.865 2.377 . . . . 0.0 111.386 177.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.6 m -148.07 87.6 1.62 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.254 1.422 . . . . 0.0 110.214 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 63.6 t80 -88.78 -87.86 0.16 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.614 0.765 . . . . 0.0 110.476 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.21 -30.71 71.28 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.911 -1.118 . . . . 0.0 112.73 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.62 -7.69 41.04 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.7 t -105.65 -41.53 5.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.957 1.303 . . . . 0.0 112.337 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 30.6 pt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.195 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.68 156.83 64.19 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 C-N-CA 123.785 2.99 . . . . 0.0 113.629 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.13 113.76 3.78 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.016 3.144 . . . . 0.0 113.064 -170.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.01 26.75 71.57 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.852 0.701 . . . . 0.0 114.852 176.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -120.94 161.08 22.19 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.424 1.89 . . . . 0.0 111.029 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -130.51 151.2 51.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.165 1.786 . . . . 0.0 109.285 172.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -141.44 123.52 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 125.268 1.427 . . . . 0.0 108.509 -169.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -130.48 156.61 44.49 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.583 1.153 . . . . 0.0 110.993 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -128.44 93.07 3.55 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.308 1.443 . . . . 0.0 108.972 -169.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 25.9 p -66.18 145.25 56.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.075 0.95 . . . . 0.0 111.577 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -60.96 -14.72 24.54 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.07 -10.94 16.33 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.358 1.463 . . . . 0.0 114.65 167.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 90.39 38.33 6.31 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.57 1.081 . . . . 0.0 113.218 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -136.42 158.03 45.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.359 1.463 . . . . 0.0 111.26 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -112.9 139.86 48.19 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.201 1.401 . . . . 0.0 110.358 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -135.8 157.25 47.31 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.631 1.572 . . . . 0.0 110.405 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -116.95 149.8 39.58 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 125.258 1.423 . . . . 0.0 110.3 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 82.4 t -136.41 126.23 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 126.654 1.982 . . . . 0.0 108.783 -168.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -109.08 116.58 32.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.715 1.206 . . . . 0.0 109.965 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -78.05 -16.71 57.82 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -72.61 -33.88 66.98 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.829 1.252 . . . . 0.0 113.09 -173.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 52.9 p -132.62 10.09 4.33 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.723 1.609 . . . . 0.0 113.224 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 67.58 7.8 5.89 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.524 2.33 . . . . 0.0 114.768 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -67.05 163.95 18.89 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.49 1.516 . . . . 0.0 113.768 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 16.7 p -145.76 156.47 43.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.092 1.757 . . . . 0.0 111.509 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.7 t -158.52 156.29 29.97 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.141 0.977 . . . . 0.0 112.246 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -86.88 -17.25 33.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.319 1.447 . . . . 0.0 113.428 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.473 0.707 0 C-N-CA 124.997 1.319 . . . . 0.0 111.674 -176.284 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo . . . . . 0 CA--C 1.544 0.99 0 N-CA-C 110.463 -0.63 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.05 131.36 23.6 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.219 1.946 . . . . 0.0 110.156 172.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 35.1 m -159.25 74.09 0.62 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.127 1.371 . . . . 0.0 109.919 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.9 t80 -74.71 -83.0 0.06 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.261 0.624 . . . . 0.0 110.775 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -63.66 -37.13 86.18 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.179 -0.951 . . . . 0.0 112.449 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.82 -19.14 65.78 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 41.3 t -87.59 -42.32 12.8 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.611 0.764 . . . . 0.0 112.238 170.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -173.36 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.192 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.26 157.2 62.26 Favored 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 123.859 3.039 . . . . 0.0 113.839 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.45 114.89 4.13 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.997 3.132 . . . . 0.0 113.128 -170.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 64.52 26.19 70.66 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 114.912 0.725 . . . . 0.0 114.912 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -120.14 159.91 23.92 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.254 1.822 . . . . 0.0 111.018 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -129.18 150.05 50.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.271 1.828 . . . . 0.0 108.85 170.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -144.03 126.21 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.868 1.267 . . . . 0.0 108.69 -169.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -133.66 161.58 34.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.798 0.839 . . . . 0.0 112.484 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -131.06 98.32 4.55 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.046 1.738 . . . . 0.0 109.054 -167.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 68.2 p -74.57 152.54 39.28 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.583 -0.698 . . . . 0.0 111.603 -177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.14 -17.33 25.96 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.45 -12.16 55.78 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 170.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.64 38.69 6.49 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.254 0.93 . . . . 0.0 113.306 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -133.75 146.83 51.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.323 1.449 . . . . 0.0 111.027 -174.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.09 140.37 41.38 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.853 1.261 . . . . 0.0 110.851 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.06 152.37 49.98 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.392 1.477 . . . . 0.0 110.756 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -114.16 148.2 37.64 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.61 1.164 . . . . 0.0 110.5 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.86 124.88 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 126.601 1.96 . . . . 0.0 109.297 -170.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -106.45 119.41 39.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.941 1.296 . . . . 0.0 110.291 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -79.16 -15.66 57.77 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -73.59 -32.13 63.95 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.559 1.144 . . . . 0.0 112.99 -175.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 54.6 p -133.85 9.62 3.89 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.483 1.513 . . . . 0.0 113.578 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 64.86 11.14 6.7 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.242 2.217 . . . . 0.0 114.463 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -72.4 166.13 23.18 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.139 1.776 . . . . 0.0 113.814 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 41.2 p -145.93 163.01 36.47 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.661 1.585 . . . . 0.0 111.592 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.2 t -161.69 160.96 29.23 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.181 0.993 . . . . 0.0 112.345 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -82.92 -14.33 54.36 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.274 1.83 . . . . 0.0 113.542 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 125.936 1.694 . . . . 0.0 111.395 -172.775 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 CA--C 1.543 0.964 0 N-CA-C 110.908 -0.458 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.99 119.07 6.05 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.275 1.983 . . . . 0.0 110.675 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 71.0 m -146.13 87.19 1.73 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.548 1.539 . . . . 0.0 109.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -83.24 -86.47 0.11 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.531 0.733 . . . . 0.0 109.724 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.19 -37.24 79.64 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.295 -0.878 . . . . 0.0 112.411 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.85 -20.12 63.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.5 t -91.59 -44.55 8.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.069 0.948 . . . . 0.0 112.133 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.2 pt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -171.909 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.202 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.14 156.48 64.85 Favored 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 124.238 3.292 . . . . 0.0 113.734 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -72.27 113.76 3.79 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.931 3.087 . . . . 0.0 112.862 -172.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.07 27.24 72.05 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -123.89 162.89 22.4 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.651 1.98 . . . . 0.0 111.049 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -131.22 154.69 48.17 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.273 1.829 . . . . 0.0 109.876 171.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.17 127.94 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.918 1.687 . . . . 0.0 108.433 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -131.71 155.6 47.39 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.522 1.129 . . . . 0.0 110.507 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -130.84 109.59 10.68 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.405 1.482 . . . . 0.0 108.012 -174.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 43.5 p -69.49 154.84 41.4 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.296 0.57 . . . . 0.0 111.528 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.48 33.47 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -79.96 -8.93 59.6 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.004 1.322 . . . . 0.0 113.597 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 99.43 24.55 10.08 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.524 1.059 . . . . 0.0 115.029 172.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -127.17 136.91 52.72 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.189 1.495 . . . . 0.0 112.515 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.24 141.7 28.45 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.671 1.189 . . . . 0.0 111.192 177.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -139.04 159.53 41.92 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.389 1.475 . . . . 0.0 110.744 172.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -108.4 152.26 24.91 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.997 1.319 . . . . 0.0 110.812 174.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 95.9 t -134.69 126.01 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 126.207 1.803 . . . . 0.0 109.164 -173.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -108.04 116.59 32.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.786 1.235 . . . . 0.0 109.883 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -79.87 -14.96 58.26 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -74.4 -32.92 62.87 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.243 1.417 . . . . 0.0 112.692 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 71.1 p -132.33 8.28 4.3 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.998 1.719 . . . . 0.0 113.233 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 68.99 4.07 4.34 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.863 2.465 . . . . 0.0 114.906 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -71.78 165.79 23.34 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.286 1.435 . . . . 0.0 113.199 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 20.8 p -145.84 157.41 43.92 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.8 1.64 . . . . 0.0 111.384 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 9.7 t -158.13 155.75 29.69 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.744 0.818 . . . . 0.0 112.398 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -89.36 -21.08 23.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.458 1.503 . . . . 0.0 113.314 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 125.547 1.539 . . . . 0.0 111.266 -179.801 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 CA--C 1.542 0.924 0 N-CA-C 110.92 -0.454 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.45 123.14 10.18 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 122.509 2.139 . . . . 0.0 110.461 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 75.4 m -148.22 90.97 1.86 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.188 1.395 . . . . 0.0 109.472 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 65.6 t80 -87.66 -87.74 0.15 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.662 0.785 . . . . 0.0 109.701 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.63 -41.87 74.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.336 1.055 . . . . 0.0 111.756 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.56 -13.74 61.42 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.6 t -94.14 -44.81 7.82 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.873 0.869 . . . . 0.0 112.008 169.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -171.778 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.557 1.226 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.57 153.8 75.33 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 123.498 2.798 . . . . 0.0 113.75 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.01 112.62 3.34 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.964 3.11 . . . . 0.0 113.058 -168.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.37 25.13 71.14 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.882 0.753 . . . . 0.0 114.792 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -117.93 160.04 22.11 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.207 1.803 . . . . 0.0 111.214 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -127.32 153.01 46.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.392 1.877 . . . . 0.0 109.036 168.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.4 mp -141.93 131.95 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.313 1.445 . . . . 0.0 108.499 -174.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -132.88 153.94 50.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.821 0.848 . . . . 0.0 111.755 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -119.49 99.96 6.99 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.373 1.869 . . . . 0.0 108.566 -175.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 48.4 p -75.63 153.36 37.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.302 0.641 . . . . 0.0 111.555 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.14 -13.53 37.95 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.89 -9.0 56.88 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.365 1.066 . . . . 0.0 113.84 170.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.05 35.33 9.86 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.234 0.921 . . . . 0.0 112.425 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -131.21 119.43 21.83 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.664 1.186 . . . . 0.0 111.215 -171.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -82.63 136.17 34.86 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.636 1.574 . . . . 0.0 110.674 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.52 155.4 50.56 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.371 1.469 . . . . 0.0 110.578 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -115.02 148.58 38.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.267 1.427 . . . . 0.0 110.45 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.29 124.53 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 126.582 1.953 . . . . 0.0 109.153 -170.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -106.77 120.53 42.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.801 1.24 . . . . 0.0 110.211 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -83.19 -11.27 58.02 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -75.66 -32.02 60.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.57 1.148 . . . . 0.0 112.552 -176.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 55.1 p -135.52 9.61 3.41 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.612 1.565 . . . . 0.0 113.636 177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 69.13 3.65 4.18 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.553 2.341 . . . . 0.0 114.524 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -68.33 163.72 22.4 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.871 1.668 . . . . 0.0 113.597 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 14.3 p -147.34 157.15 43.47 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.611 1.564 . . . . 0.0 111.87 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 6.5 t -159.4 158.5 32.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.202 1.001 . . . . 0.0 112.26 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -89.76 -11.93 40.8 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.654 1.582 . . . . 0.0 113.28 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 125.12 1.368 . . . . 0.0 111.799 -176.043 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 CA--C 1.546 1.08 0 CA-C-O 119.221 -0.408 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.22 119.92 6.46 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.577 2.184 . . . . 0.0 111.135 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 68.1 m -144.21 93.53 2.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.16 1.384 . . . . 0.0 109.898 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 71.9 t80 -90.07 -87.77 0.18 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.955 0.902 . . . . 0.0 109.462 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.23 -36.8 76.09 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.114 -0.991 . . . . 0.0 112.292 173.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.97 -13.51 57.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 41.8 t -98.81 -41.59 7.57 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.392 1.077 . . . . 0.0 112.162 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -172.598 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.148 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.12 156.42 65.87 Favored 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.833 3.022 . . . . 0.0 113.653 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.41 114.03 3.88 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 124.047 3.165 . . . . 0.0 113.047 -170.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.73 26.18 73.0 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 114.946 0.739 . . . . 0.0 114.946 175.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -121.12 162.34 20.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.479 1.911 . . . . 0.0 111.284 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -131.5 151.02 51.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.219 1.808 . . . . 0.0 109.447 172.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -143.0 124.39 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.162 1.385 . . . . 0.0 108.603 -167.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -131.76 160.13 36.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.317 1.047 . . . . 0.0 111.323 -172.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -134.55 98.88 4.19 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.518 1.527 . . . . 0.0 109.18 -170.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 60.5 p -73.08 156.25 38.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.363 0.665 . . . . 0.0 112.212 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.45 -19.64 49.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -64.4 -13.11 49.29 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 169.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.57 38.09 6.74 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.508 1.051 . . . . 0.0 113.216 -178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -134.64 135.46 42.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.872 1.269 . . . . 0.0 111.74 -172.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -86.96 142.72 27.77 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.54 1.136 . . . . 0.0 111.101 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.29 157.24 47.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.035 1.734 . . . . 0.0 110.683 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -120.59 147.78 44.75 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.56 1.144 . . . . 0.0 110.53 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.1 t -137.81 127.06 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 126.126 1.77 . . . . 0.0 109.479 -166.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -111.62 114.08 26.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.87 1.268 . . . . 0.0 110.097 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -75.91 -15.86 60.12 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -74.1 -32.33 63.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.868 1.267 . . . . 0.0 112.984 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 46.8 p -132.68 7.76 4.13 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.598 1.559 . . . . 0.0 113.571 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 66.92 6.61 4.76 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 127.639 2.376 . . . . 0.0 114.824 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.6 163.09 26.27 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.453 1.101 . . . . 0.0 113.316 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 56.6 p -144.22 159.85 41.97 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.244 1.818 . . . . 0.0 110.605 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 9.2 t -158.54 161.86 37.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.687 0.795 . . . . 0.0 112.972 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -89.02 -8.36 54.18 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.548 1.939 . . . . 0.0 113.383 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 CA--C 1.546 0.815 0 C-N-CA 125.982 1.713 . . . . 0.0 111.736 -172.271 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.545 1.048 0 N-CA-C 111.142 -0.369 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.14 120.88 7.34 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.659 2.239 . . . . 0.0 110.62 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 32.2 m -150.87 79.41 1.32 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.683 1.193 . . . . 0.0 110.88 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 61.9 t80 -81.89 -91.6 0.07 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.751 0.82 . . . . 0.0 110.606 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.08 -26.88 65.02 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.591 1.157 . . . . 0.0 112.6 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.66 -19.77 66.04 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.673 1.189 . . . . 0.0 113.909 174.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.1 t -106.75 -42.95 4.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.692 1.197 . . . . 0.0 112.238 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.6 pt . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -175.508 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.557 1.215 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.07 154.93 71.38 Favored 'Trans proline' 0 CA--C 1.55 1.289 0 C-N-CA 123.471 2.78 . . . . 0.0 113.625 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.53 110.99 3.01 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.001 3.134 . . . . 0.0 113.132 -168.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.61 24.86 72.72 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 123.827 0.727 . . . . 0.0 114.816 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -115.61 162.83 16.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.193 1.797 . . . . 0.0 111.334 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -131.8 150.5 52.13 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.831 1.652 . . . . 0.0 109.488 171.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.2 mp -141.78 123.45 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.473 1.509 . . . . 0.0 108.514 -168.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -131.38 159.17 38.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.285 1.034 . . . . 0.0 111.216 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -134.97 94.23 3.12 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.39 1.476 . . . . 0.0 109.177 -168.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 68.5 p -68.3 154.3 42.03 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.838 -0.539 . . . . 0.0 112.211 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.91 -16.87 32.95 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.84 -13.44 61.59 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 170.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 90.89 37.28 6.43 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.472 1.034 . . . . 0.0 113.196 -178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -133.73 134.41 42.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.053 1.341 . . . . 0.0 111.477 -173.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -87.11 144.07 27.03 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.903 1.281 . . . . 0.0 111.321 173.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -137.83 158.32 44.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.301 1.84 . . . . 0.0 110.878 173.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -121.5 148.44 44.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.93 1.292 . . . . 0.0 110.268 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.27 130.73 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.439 1.896 . . . . 0.0 109.564 -167.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -121.78 88.29 2.91 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.303 1.441 . . . . 0.0 111.492 -172.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -56.04 -22.62 28.41 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.226 1.41 . . . . 0.0 114.462 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -64.29 -22.15 66.85 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.594 1.158 . . . . 0.0 113.547 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 13.8 t -149.96 17.56 0.87 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.759 1.224 . . . . 0.0 113.144 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 58.8 14.85 3.44 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 127.301 2.241 . . . . 0.0 115.581 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -80.1 167.3 20.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.366 1.067 . . . . 0.0 113.165 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 44.4 p -144.98 161.82 38.42 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.03 1.732 . . . . 0.0 111.531 178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.5 t -159.54 163.06 35.48 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.289 1.036 . . . . 0.0 112.2 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -87.19 -12.8 45.78 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.217 1.807 . . . . 0.0 113.388 -176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 126.052 1.741 . . . . 0.0 111.299 -172.445 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo . . . . . 0 CA--C 1.547 1.132 0 N-CA-C 110.767 -0.513 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -72.28 123.96 9.58 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.596 2.197 . . . . 0.0 110.819 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.5 m -148.78 93.98 2.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.656 1.182 . . . . 0.0 110.596 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 68.3 t80 -90.02 -92.04 0.13 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.83 0.852 . . . . 0.0 110.076 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.52 -31.8 66.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.559 1.144 . . . . 0.0 112.173 172.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.38 -23.05 66.6 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.554 1.142 . . . . 0.0 113.873 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 35.6 t -99.21 -38.17 9.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.64 1.176 . . . . 0.0 112.593 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 11.0 pt . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -174.75 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.151 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.17 156.89 64.09 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 C-N-CA 123.823 3.015 . . . . 0.0 113.572 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.8 115.16 4.19 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.909 3.072 . . . . 0.0 112.888 -171.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 63.73 29.56 75.1 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 123.793 0.711 . . . . 0.0 114.86 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -122.85 159.53 27.97 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.169 1.788 . . . . 0.0 111.142 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -126.66 147.49 49.92 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.566 1.546 . . . . 0.0 109.244 171.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.2 mp -141.06 128.43 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.821 1.248 . . . . 0.0 108.656 -170.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.11 161.17 35.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.673 1.189 . . . . 0.0 111.545 -172.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -132.7 106.48 7.79 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.999 1.719 . . . . 0.0 108.93 -173.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 80.7 p -74.67 159.65 31.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.301 0.641 . . . . 0.0 112.548 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.57 -17.17 53.86 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -69.95 -10.96 60.41 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 170.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.09 25.39 44.77 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.23 0.919 . . . . 0.0 113.243 -173.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -118.34 129.27 55.34 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.125 1.37 . . . . 0.0 110.515 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -90.25 145.57 24.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.649 1.58 . . . . 0.0 111.247 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -141.75 157.63 44.8 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.611 1.565 . . . . 0.0 111.119 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -117.53 147.75 42.5 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.942 1.297 . . . . 0.0 110.434 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 56.5 t -132.84 115.98 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 126.872 2.069 . . . . 0.0 108.655 -170.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -91.63 85.92 5.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.409 1.083 . . . . 0.0 110.644 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -18.21 7.4 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -71.72 -28.09 63.44 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.453 1.501 . . . . 0.0 113.874 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 34.5 p -136.58 -2.51 2.18 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 70.91 8.31 6.49 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.828 2.451 . . . . 0.0 114.413 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -63.69 163.86 10.78 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.718 1.207 . . . . 0.0 112.692 170.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 22.7 p -141.45 160.7 39.6 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.985 1.714 . . . . 0.0 111.005 173.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.1 t -158.94 157.84 32.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.097 0.959 . . . . 0.0 111.732 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -77.5 -23.84 50.2 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.533 1.533 . . . . 0.0 112.849 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 125.918 1.687 . . . . 0.0 111.636 -166.267 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo . . . . . 0 CA--C 1.545 1.059 0 N-CA-C 110.727 -0.528 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -70.96 128.64 15.19 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.38 2.053 . . . . 0.0 110.236 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 48.1 m -158.23 91.7 1.11 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.975 1.31 . . . . 0.0 109.657 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 49.6 t80 -91.82 -88.59 0.19 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.78 0.832 . . . . 0.0 109.664 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.93 -31.18 69.61 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.201 -0.937 . . . . 0.0 112.456 174.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.39 -14.29 62.89 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.5 t -100.13 -39.31 8.15 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.455 1.102 . . . . 0.0 112.147 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 9.8 pt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -176.924 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.554 1.13 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.6 155.56 68.53 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 123.691 2.928 . . . . 0.0 113.604 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.95 114.8 4.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.922 3.081 . . . . 0.0 113.01 -170.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.78 25.32 71.74 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 123.807 0.718 . . . . 0.0 114.838 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -119.72 161.97 19.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.217 1.807 . . . . 0.0 111.059 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -130.84 151.38 51.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.972 1.709 . . . . 0.0 109.679 170.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -140.37 124.88 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.429 1.491 . . . . 0.0 109.131 -169.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -131.52 158.98 39.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.638 1.175 . . . . 0.0 111.013 -171.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -133.31 97.57 4.01 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.499 1.519 . . . . 0.0 109.093 -167.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 70.8 p -68.18 154.37 41.85 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.686 0.794 . . . . 0.0 112.542 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.37 -15.24 56.86 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -67.14 -12.26 59.51 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 168.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.79 26.64 24.1 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.864 1.221 . . . . 0.0 113.075 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -128.24 126.07 40.18 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.338 1.055 . . . . 0.0 111.543 -169.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -84.11 143.9 29.38 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.316 1.847 . . . . 0.0 111.7 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -142.23 162.92 34.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.357 1.463 . . . . 0.0 110.976 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -121.46 152.39 39.17 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.705 1.602 . . . . 0.0 110.582 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.5 126.08 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 126.55 1.94 . . . . 0.0 109.86 -168.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -108.3 93.5 4.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.561 1.144 . . . . 0.0 111.808 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -58.49 -20.24 44.0 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -69.67 -25.03 63.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.172 0.989 . . . . 0.0 113.557 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 49.9 p -139.44 -3.27 1.53 Allowed 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 11.9 ttp-105 70.1 6.64 5.86 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.671 2.389 . . . . 0.0 114.393 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -68.14 164.26 20.75 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.446 1.099 . . . . 0.0 113.081 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 38.7 p -144.13 159.52 42.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.325 1.85 . . . . 0.0 111.663 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 2.9 t -158.19 149.51 21.14 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.464 1.106 . . . . 0.0 112.223 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -79.97 -46.32 16.88 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.291 1.036 . . . . 0.0 112.225 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 124.528 1.131 . . . . 0.0 111.918 174.599 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 CA--C 1.547 1.14 0 CA-C-O 119.27 -0.388 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.53 127.97 14.69 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.637 2.225 . . . . 0.0 110.574 171.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 47.0 m -154.73 91.49 1.39 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.128 1.371 . . . . 0.0 110.225 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.71 -88.62 0.16 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.958 0.903 . . . . 0.0 110.392 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -62.71 -26.75 68.83 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.016 -1.053 . . . . 0.0 113.304 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.53 -7.19 36.12 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 173.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 46.5 t -112.95 -40.25 4.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.098 1.359 . . . . 0.0 112.617 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 13.6 pt . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.87 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.174 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.73 154.97 71.78 Favored 'Trans proline' 0 CA--C 1.549 1.271 0 C-N-CA 123.565 2.844 . . . . 0.0 113.451 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.88 115.08 4.16 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.923 3.082 . . . . 0.0 113.094 -169.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.71 29.42 75.08 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 114.809 0.684 . . . . 0.0 114.809 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -122.01 162.76 20.56 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.355 1.862 . . . . 0.0 111.676 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -130.37 150.61 51.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.814 1.646 . . . . 0.0 109.212 169.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.62 126.24 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.927 1.291 . . . . 0.0 108.939 -167.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -138.01 164.89 27.94 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.722 0.809 . . . . 0.0 113.155 -173.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -129.15 114.31 16.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.562 1.945 . . . . 0.0 108.723 -171.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 27.3 p -82.45 163.81 21.38 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.488 -0.758 . . . . 0.0 112.065 -177.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.26 -13.22 17.14 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -74.85 -9.51 58.62 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.4 1.08 . . . . 0.0 113.604 171.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.83 35.28 13.34 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.284 0.945 . . . . 0.0 113.176 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -132.99 142.37 48.8 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.047 1.339 . . . . 0.0 111.692 -172.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 34.4 ttp85 -102.03 142.89 32.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.13 1.372 . . . . 0.0 111.646 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -140.99 158.41 43.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.202 1.801 . . . . 0.0 110.757 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -117.09 148.3 41.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.67 1.188 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 93.8 t -133.33 116.85 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.916 2.087 . . . . 0.0 109.07 -169.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -95.43 85.3 4.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.201 1.401 . . . . 0.0 110.822 -175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -19.19 5.04 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -69.17 -26.97 65.12 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.521 1.128 . . . . 0.0 113.307 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 67.9 p -142.92 3.59 1.42 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -173.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 2.2 mtm-85 67.41 4.7 3.88 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 127.1 2.16 . . . . 0.0 115.102 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -66.54 166.18 13.18 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.535 1.534 . . . . 0.0 112.87 175.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 19.3 p -146.0 160.42 41.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.877 1.671 . . . . 0.0 111.477 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.8 t -159.07 159.89 35.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.266 1.026 . . . . 0.0 112.152 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -80.49 -14.06 58.58 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.969 1.708 . . . . 0.0 113.648 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 125.472 1.509 . . . . 0.0 111.943 -171.326 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 CA--C 1.541 0.866 0 N-CA-C 110.815 -0.494 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.68 119.62 6.55 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.552 2.168 . . . . 0.0 110.424 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.0 m -146.9 80.68 1.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.162 1.385 . . . . 0.0 109.64 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 40.7 t80 -85.5 -86.85 0.13 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.373 0.669 . . . . 0.0 109.829 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.42 -44.71 65.59 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.369 1.468 . . . . 0.0 112.13 173.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.98 -17.7 64.64 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.3 t -93.22 -42.85 9.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.87 0.868 . . . . 0.0 112.069 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 22.4 pt . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -173.809 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.143 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.98 157.05 63.38 Favored 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.877 3.052 . . . . 0.0 113.671 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -72.03 113.68 3.75 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.993 3.129 . . . . 0.0 113.089 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.52 27.07 72.18 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 123.81 0.719 . . . . 0.0 114.838 176.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -121.95 159.01 27.81 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.338 1.855 . . . . 0.0 111.131 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -127.0 151.52 48.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.43 1.892 . . . . 0.0 109.057 170.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -142.7 124.29 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.033 1.333 . . . . 0.0 108.502 -169.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.92 158.36 42.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.851 0.86 . . . . 0.0 111.957 -173.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -131.78 102.16 5.76 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.788 1.635 . . . . 0.0 108.582 -167.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 35.5 p -74.38 161.46 29.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.523 0.677 . . . . 0.0 112.27 -172.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.76 56.77 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -75.79 -8.86 57.9 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.419 1.088 . . . . 0.0 113.628 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 85.97 27.72 30.65 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.409 1.004 . . . . 0.0 113.481 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -117.85 120.4 37.8 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.529 1.132 . . . . 0.0 110.877 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -75.76 139.42 41.83 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.562 0.745 . . . . 0.0 110.619 169.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -136.27 161.04 36.88 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.771 1.628 . . . . 0.0 110.468 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -119.95 148.29 43.71 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.566 1.546 . . . . 0.0 109.981 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.82 123.33 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 126.509 1.924 . . . . 0.0 109.215 -168.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -101.72 118.46 36.98 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.755 1.222 . . . . 0.0 110.37 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -80.15 -16.03 55.79 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -71.84 -31.63 66.71 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.12 0.968 . . . . 0.0 113.13 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 12.6 t -145.18 22.92 1.52 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.394 1.478 . . . . 0.0 112.838 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 62.15 8.18 2.53 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 127.435 2.294 . . . . 0.0 115.98 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -69.85 163.52 25.7 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.373 1.469 . . . . 0.0 113.137 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 36.9 p -145.33 160.94 40.76 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.422 1.489 . . . . 0.0 111.912 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.5 t -160.15 157.89 29.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.395 1.078 . . . . 0.0 112.212 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -87.1 -11.92 48.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.846 1.658 . . . . 0.0 113.291 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 N--CA 1.474 0.769 0 C-N-CA 125.17 1.388 . . . . 0.0 112.141 -175.623 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 CA--C 1.546 1.098 0 CA-C-O 119.218 -0.409 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.7 125.55 10.65 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.626 2.217 . . . . 0.0 111.284 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.3 m -149.39 95.75 2.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.145 1.378 . . . . 0.0 110.078 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -91.35 -85.11 0.24 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.606 0.763 . . . . 0.0 109.905 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.62 -40.99 93.91 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.291 -0.88 . . . . 0.0 111.62 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.81 -15.46 30.28 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 47.5 t -92.05 -49.72 6.07 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.968 0.907 . . . . 0.0 112.207 169.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 20.6 pt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.615 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 N--CA 1.493 1.718 0 CA-C-O 118.905 -0.569 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 8.7 m -52.9 -22.61 5.74 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 118.395 2.739 . . . . 0.0 118.395 -162.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -135.74 17.07 3.31 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.229 1.411 . . . . 0.0 113.534 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.84 -15.5 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 126.045 1.738 . . . . 0.0 111.459 -174.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -119.97 19.13 12.4 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.996 1.718 . . . . 0.0 112.38 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -66.78 -179.87 0.96 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.262 1.825 . . . . 0.0 113.06 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -58.67 166.65 7.19 Favored Glycine 0 CA--C 1.547 2.082 0 C-N-CA 125.096 1.332 . . . . 0.0 116.032 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -69.05 150.46 72.57 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.117 3.212 . . . . 0.0 113.245 -172.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 155.49 76.69 Favored Pre-proline 0 CA--C 1.555 1.169 0 C-N-CA 123.736 0.814 . . . . 0.0 113.148 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.75 156.42 66.06 Favored 'Trans proline' 0 CA--C 1.55 1.291 0 C-N-CA 123.813 3.009 . . . . 0.0 113.668 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -72.93 113.74 3.85 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.083 3.189 . . . . 0.0 113.16 -170.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 67.37 25.66 73.65 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 114.859 0.704 . . . . 0.0 114.859 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -120.38 161.59 20.92 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.296 1.838 . . . . 0.0 111.276 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -129.93 150.78 51.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.184 1.794 . . . . 0.0 109.245 171.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.9 mp -142.42 124.16 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 125.194 1.398 . . . . 0.0 108.643 -168.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -131.28 160.09 35.95 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.339 1.056 . . . . 0.0 111.709 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -132.3 109.33 9.81 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.878 1.671 . . . . 0.0 108.871 -171.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 70.4 p -81.16 160.5 24.36 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.347 0.659 . . . . 0.0 112.417 -175.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.12 -16.16 59.09 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.51 -11.59 60.07 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.738 1.215 . . . . 0.0 114.032 170.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 85.08 31.88 21.98 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.333 0.968 . . . . 0.0 113.329 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -127.93 156.1 43.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.289 1.435 . . . . 0.0 111.708 -176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -116.83 140.74 49.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.713 1.605 . . . . 0.0 110.753 -174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.99 155.78 46.95 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.258 1.423 . . . . 0.0 110.937 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -118.96 146.77 44.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.855 1.262 . . . . 0.0 110.166 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.97 123.12 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 126.248 1.819 . . . . 0.0 109.545 -168.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.72 104.06 13.8 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.119 1.367 . . . . 0.0 110.512 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -66.98 -19.57 65.74 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -71.02 -31.39 67.86 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.453 1.101 . . . . 0.0 113.382 -176.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 49.6 p -133.5 4.11 3.64 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.543 1.537 . . . . 0.0 113.612 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.5 ttm105 62.35 14.28 6.71 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.585 2.354 . . . . 0.0 114.751 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -71.34 163.18 28.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.393 1.477 . . . . 0.0 112.982 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 27.2 p -147.75 153.1 38.81 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.812 1.645 . . . . 0.0 111.146 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.7 t -156.09 161.16 40.42 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.763 0.825 . . . . 0.0 112.663 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -83.96 -12.85 54.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.291 1.836 . . . . 0.0 113.64 -176.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -150.63 -165.44 2.27 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.131 1.773 . . . . 0.0 111.505 -173.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -118.27 73.92 10.6 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 124.679 1.192 . . . . 0.0 111.455 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 173.07 15.12 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.941 3.094 . . . . 0.0 112.93 -176.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -56.02 149.26 35.46 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.616 1.166 . . . . 0.0 112.189 169.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -66.49 138.94 51.96 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 122.821 2.347 . . . . 0.0 110.747 171.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 163.25 -153.46 23.98 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.789 0.709 . . . . 0.0 113.377 -172.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -54.99 152.47 13.7 Favored Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 125.068 1.347 . . . . 0.0 113.218 173.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.3 3.334 . . . . 0.0 114.363 -176.57 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 71.3 m-80 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 21.0 p -81.2 136.12 35.82 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.379 1.072 . . . . 0.0 111.253 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 142.7 71.09 0.03 OUTLIER Glycine 0 N--CA 1.47 0.94 0 C-N-CA 123.555 0.598 . . . . 0.0 113.07 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -52.8 137.5 31.63 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 117.625 0.712 . . . . 0.0 112.355 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 18.2 tptt -142.68 -174.59 4.2 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.631 1.972 . . . . 0.0 110.253 -174.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -56.14 118.37 20.81 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 118.643 0.656 . . . . 0.0 110.664 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.44 127.33 11.72 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.486 2.124 . . . . 0.0 111.037 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.72 121.85 8.31 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.497 2.131 . . . . 0.0 110.594 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 73.3 m -148.99 93.4 2.1 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.371 1.468 . . . . 0.0 109.773 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -87.7 -89.29 0.13 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.799 0.839 . . . . 0.0 109.81 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.95 -36.72 68.12 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.498 1.519 . . . . 0.0 112.238 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.9 -17.14 63.93 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.2 t -95.29 -38.97 10.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.232 1.013 . . . . 0.0 112.209 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 12.3 pt -85.36 20.15 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 17.7 pttp . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.776 1.631 . . . . 0.0 113.312 -179.639 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.495 1.789 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 6.5 m -53.45 -26.85 21.92 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 118.453 2.76 . . . . 0.0 118.453 -159.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -128.37 15.94 6.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.222 1.409 . . . . 0.0 113.564 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.91 -25.01 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.849 1.66 . . . . 0.0 110.987 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.56 48.44 2.15 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.697 1.599 . . . . 0.0 110.768 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.78 146.39 46.25 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.035 1.334 . . . . 0.0 112.602 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 76.73 -177.54 51.62 Favored Glycine 0 CA--C 1.545 1.957 0 C-N-CA 124.185 0.898 . . . . 0.0 114.388 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.91 153.15 58.3 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.671 2.914 . . . . 0.0 112.179 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.88 154.97 80.63 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 123.285 0.634 . . . . 0.0 112.708 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.73 156.17 66.35 Favored 'Trans proline' 0 CA--C 1.549 1.269 0 C-N-CA 123.676 2.917 . . . . 0.0 113.584 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.88 112.79 3.48 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.026 3.151 . . . . 0.0 113.167 -169.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.21 23.49 71.53 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 123.911 0.767 . . . . 0.0 114.935 176.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -116.66 160.71 20.31 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.116 1.766 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -130.02 149.62 51.65 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.246 1.819 . . . . 0.0 109.019 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.2 mp -143.5 121.02 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.08 1.352 . . . . 0.0 108.315 -168.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -129.35 159.81 35.02 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.14 0.976 . . . . 0.0 111.542 -171.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -129.51 97.45 4.55 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.71 1.604 . . . . 0.0 108.971 -168.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 80.4 p -67.01 153.87 42.58 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.625 0.77 . . . . 0.0 112.01 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.37 -14.47 50.48 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.97 -12.86 58.0 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.768 1.227 . . . . 0.0 113.884 167.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 88.48 31.31 13.72 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.801 1.191 . . . . 0.0 112.938 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -131.16 129.34 41.64 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.535 1.134 . . . . 0.0 111.682 -169.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -86.34 142.19 28.67 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.015 1.326 . . . . 0.0 111.59 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -139.33 157.98 44.94 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.566 1.547 . . . . 0.0 110.568 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.29 151.0 33.6 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.443 1.497 . . . . 0.0 110.607 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.4 t -139.19 129.2 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 126.656 1.982 . . . . 0.0 108.949 -169.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -115.2 114.48 25.3 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.324 1.05 . . . . 0.0 110.368 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -74.86 -19.95 59.95 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -67.44 -29.44 68.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.04 0.936 . . . . 0.0 112.992 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 72.0 p -134.14 6.03 3.59 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.631 1.572 . . . . 0.0 113.66 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 65.85 2.63 2.24 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.226 2.61 . . . . 0.0 115.248 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 10.2 ptm85 -75.68 171.98 13.41 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.625 1.17 . . . . 0.0 113.858 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 48.2 p -143.85 163.62 32.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.571 1.548 . . . . 0.0 112.095 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.0 t -160.48 157.54 27.77 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.88 1.272 . . . . 0.0 111.568 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -82.73 -15.33 52.25 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.032 1.333 . . . . 0.0 113.333 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -136.01 -165.62 1.74 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.877 1.271 . . . . 0.0 112.33 -172.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -119.26 73.96 14.59 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.503 1.121 . . . . 0.0 111.044 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -73.96 179.28 5.87 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.964 3.109 . . . . 0.0 112.561 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -52.47 148.46 12.32 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.194 1.398 . . . . 0.0 112.657 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.59 -14.82 30.58 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.646 2.897 . . . . 0.0 114.427 -175.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -76.03 54.73 3.08 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.862 1.696 . . . . 0.0 113.674 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -132.75 63.88 69.09 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 125.61 1.564 . . . . 0.0 112.684 -172.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--O 1.253 1.253 0 C-N-CA 123.121 2.547 . . . . 0.0 111.377 170.344 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 19.2 t30 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 25.4 p -144.89 171.12 14.89 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.406 1.482 . . . . 0.0 111.879 -175.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -170.07 -172.93 37.04 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.436 1.493 . . . . 0.0 112.168 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -55.26 128.46 34.13 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.789 0.836 . . . . 0.0 112.055 176.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -153.62 -179.33 7.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.526 1.93 . . . . 0.0 110.024 -172.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -54.16 116.53 10.65 Favored Pre-proline 0 CA--C 1.548 0.895 0 CA-C-N 119.323 0.965 . . . . 0.0 111.43 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.94 124.05 8.86 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.324 2.016 . . . . 0.0 110.634 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.51 133.97 29.43 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.258 1.972 . . . . 0.0 110.146 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 39.5 m -158.73 84.3 0.82 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.961 1.304 . . . . 0.0 109.881 -177.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 60.5 t80 -80.34 -88.94 0.07 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.52 0.728 . . . . 0.0 110.243 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.16 -32.09 70.72 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.046 -1.034 . . . . 0.0 112.595 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.59 -11.7 58.72 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 19.3 t -109.1 -30.4 8.07 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.628 1.171 . . . . 0.0 112.978 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.5 pt -89.93 17.64 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.99 1.716 . . . . 0.0 113.382 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 118.161 -0.923 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 13.8 m -51.94 -25.4 8.12 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 119.886 3.291 . . . . 0.0 119.886 -160.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -130.34 16.24 5.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.792 1.237 . . . . 0.0 113.811 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.25 -5.18 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 126.232 1.813 . . . . 0.0 110.789 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -141.24 44.41 1.77 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.304 1.842 . . . . 0.0 110.767 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.93 149.02 41.77 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.876 -1.14 . . . . 0.0 112.911 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 83.32 -179.02 52.74 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 124.485 1.041 . . . . 0.0 114.284 -177.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.92 154.07 63.32 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.683 2.922 . . . . 0.0 112.286 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.65 154.62 93.04 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 123.508 0.723 . . . . 0.0 112.665 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.85 154.01 74.09 Favored 'Trans proline' 0 CA--C 1.549 1.246 0 C-N-CA 123.468 2.779 . . . . 0.0 113.662 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.47 112.02 3.25 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.937 3.091 . . . . 0.0 112.987 -169.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.81 26.61 72.21 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 123.705 0.669 . . . . 0.0 114.706 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -120.77 163.29 18.35 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.652 1.981 . . . . 0.0 111.309 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -137.8 149.09 46.08 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.148 1.779 . . . . 0.0 108.648 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -144.98 129.95 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 120.941 -1.1 . . . . 0.0 109.843 -168.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -124.76 153.01 43.08 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.024 1.33 . . . . 0.0 111.153 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -120.48 106.19 11.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.102 1.761 . . . . 0.0 108.195 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 74.2 p -74.3 156.78 36.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.792 0.837 . . . . 0.0 112.328 -176.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.45 57.27 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.62 -12.33 61.2 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.682 1.193 . . . . 0.0 114.031 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.76 32.65 12.54 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.187 0.898 . . . . 0.0 113.231 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -135.96 144.48 45.43 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.095 1.358 . . . . 0.0 111.861 -173.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -103.53 143.24 32.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.645 1.178 . . . . 0.0 111.685 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -140.05 143.78 36.54 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.167 1.387 . . . . 0.0 110.902 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -98.98 149.99 22.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.285 1.034 . . . . 0.0 111.093 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 73.2 t -138.42 128.23 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.111 2.164 . . . . 0.0 108.939 -171.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -112.64 119.93 39.79 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.772 1.229 . . . . 0.0 110.256 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -82.37 -11.19 58.73 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -77.46 -32.47 54.48 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.597 1.159 . . . . 0.0 112.474 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 64.8 p -134.67 7.73 3.54 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.961 1.704 . . . . 0.0 113.455 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 67.4 7.71 5.75 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.521 2.329 . . . . 0.0 114.983 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -70.8 167.27 19.22 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.463 1.505 . . . . 0.0 113.458 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 28.2 p -145.44 159.53 42.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.341 1.856 . . . . 0.0 111.346 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -157.51 149.77 22.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.53 0.732 . . . . 0.0 112.532 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.73 -15.95 60.76 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.879 1.672 . . . . 0.0 113.2 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -143.49 -172.42 3.71 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.051 2.141 . . . . 0.0 111.036 -174.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -113.31 77.2 2.88 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 124.924 1.29 . . . . 0.0 111.977 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.0 -178.74 4.05 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.326 3.351 . . . . 0.0 112.772 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -51.9 147.87 11.55 Favored Pre-proline 0 N--CA 1.48 1.027 0 C-N-CA 124.568 1.147 . . . . 0.0 112.255 169.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.33 70.17 3.22 Favored 'Trans proline' 0 CA--C 1.547 1.172 1 C-N-CA 125.325 4.017 . . . . 0.0 113.161 -174.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 142.67 -12.25 2.43 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 126.313 1.911 . . . . 0.0 114.096 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . 38.29 58.13 5.1 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 126.632 1.973 . . . . 0.0 114.746 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo . . . . . 0 C--O 1.251 1.159 0 C-N-CA 124.272 3.314 . . . . 0.0 113.512 -176.156 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 20.7 p -134.56 149.11 50.6 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.651 1.181 . . . . 0.0 113.143 -175.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 147.71 163.93 10.96 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.217 1.865 . . . . 0.0 112.007 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -68.23 143.12 55.42 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.678 -0.895 . . . . 0.0 111.276 170.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 18.3 tptt -149.51 -176.32 5.35 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.24 1.816 . . . . 0.0 110.022 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -56.24 118.58 22.15 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 118.835 0.743 . . . . 0.0 110.992 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.62 126.62 10.98 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.406 2.071 . . . . 0.0 110.907 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.27 122.52 8.77 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.449 2.099 . . . . 0.0 110.51 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.3 m -148.94 77.77 1.38 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.137 1.375 . . . . 0.0 110.14 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 61.6 t80 -78.67 -89.59 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.624 0.77 . . . . 0.0 110.571 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.09 -29.27 69.65 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.727 -1.233 . . . . 0.0 112.661 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -70.65 -7.75 46.73 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 20.0 t -115.25 -36.61 4.3 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.564 1.145 . . . . 0.0 112.503 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 1.2 pt -88.05 22.1 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.032 0.933 . . . . 0.0 113.48 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? . . . . . 0 C--O 1.254 1.32 0 C-N-CA 128.585 2.754 . . . . 0.0 116.145 -178.314 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . 0.263 9.9 p . . . . . 0 N--CA 1.493 1.71 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 70.8 m -57.92 -28.66 64.46 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 -163.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -135.3 16.75 3.43 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.901 1.28 . . . . 0.0 113.577 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.75 18.15 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 125.562 1.545 . . . . 0.0 111.192 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -144.98 17.28 1.59 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.123 1.369 . . . . 0.0 112.57 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.91 167.62 18.76 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.127 1.371 . . . . 0.0 112.858 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -79.43 169.91 53.97 Favored Glycine 0 CA--C 1.546 1.979 0 C-N-CA 124.256 0.931 . . . . 0.0 114.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -73.84 161.86 40.61 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 124.305 3.337 . . . . 0.0 112.892 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.3 155.19 66.66 Favored Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 123.638 0.775 . . . . 0.0 112.898 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.93 158.71 55.83 Favored 'Trans proline' 0 CA--C 1.55 1.287 0 C-N-CA 124.049 3.166 . . . . 0.0 113.774 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -72.35 113.56 3.74 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.983 3.122 . . . . 0.0 113.178 -171.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 62.57 25.92 67.72 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 123.949 0.785 . . . . 0.0 114.97 176.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -116.55 157.71 24.82 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.42 1.888 . . . . 0.0 110.728 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -125.39 147.5 49.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.016 1.726 . . . . 0.0 109.068 170.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.1 mp -140.99 125.71 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.467 1.107 . . . . 0.0 108.244 -171.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -131.39 157.73 42.65 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.2 1.0 . . . . 0.0 111.154 -173.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -124.17 105.35 9.44 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.866 1.666 . . . . 0.0 108.651 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 67.4 p -65.76 145.72 55.65 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.376 0.67 . . . . 0.0 111.346 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.26 64.02 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.53 -15.3 63.49 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.06 1.344 . . . . 0.0 114.254 171.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 113.61 23.85 4.9 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.697 1.142 . . . . 0.0 115.82 168.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -135.21 142.14 45.97 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.442 1.621 . . . . 0.0 113.098 -173.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -88.63 143.5 26.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.719 1.608 . . . . 0.0 111.952 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -139.18 154.68 48.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.194 1.797 . . . . 0.0 110.488 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -114.2 146.22 40.66 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.455 1.102 . . . . 0.0 110.832 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 92.8 t -135.56 128.55 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.932 2.093 . . . . 0.0 109.359 -169.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -115.96 118.41 32.86 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.452 1.101 . . . . 0.0 109.984 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -78.46 -17.38 56.39 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -69.92 -31.76 69.7 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.871 1.268 . . . . 0.0 113.139 -174.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 28.2 p -131.18 8.07 4.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.993 1.317 . . . . 0.0 113.469 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 69.36 2.65 3.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.866 2.466 . . . . 0.0 115.141 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -69.81 169.27 13.37 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.27 1.428 . . . . 0.0 113.948 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 15.6 p -145.26 162.79 36.32 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.106 1.763 . . . . 0.0 111.593 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.5 t -160.4 156.93 26.91 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.014 0.926 . . . . 0.0 112.678 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -85.74 -16.94 37.3 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.885 1.674 . . . . 0.0 113.402 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -126.47 -167.64 1.75 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.255 1.822 . . . . 0.0 110.757 -174.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -118.4 75.85 12.35 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 121.061 -1.025 . . . . 0.0 110.845 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.52 -171.0 0.74 Allowed 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 124.576 3.517 . . . . 0.0 112.098 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -51.21 148.56 8.18 Favored Pre-proline 0 N--CA 1.479 1.021 0 O-C-N 121.159 -0.963 . . . . 0.0 112.137 170.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -65.58 -37.67 28.22 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.717 2.278 . . . . 0.0 113.346 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 60.37 -173.66 5.3 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.462 1.03 . . . . 0.0 114.286 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . 57.68 172.1 0.05 OUTLIER Pre-proline 0 CA--C 1.563 1.443 0 C-N-CA 126.174 1.789 . . . . 0.0 115.358 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo . . . . . 0 C--O 1.251 1.15 0 C-N-CA 123.176 2.584 . . . . 0.0 112.907 170.496 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 62.2 m-80 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 121.041 0.448 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 12.8 p -150.03 156.0 40.9 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.59 1.956 . . . . 0.0 110.26 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 154.1 -165.98 31.9 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.238 0.923 . . . . 0.0 112.842 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -59.16 111.05 1.2 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.6 0.76 . . . . 0.0 111.108 169.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 12.9 mptt -134.19 169.28 17.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.424 2.29 . . . . 0.0 110.0 -177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.54 113.35 3.55 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.939 1.296 . . . . 0.0 109.869 171.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -74.21 115.62 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 121.97 1.78 . . . . 0.0 110.333 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.53 124.13 10.49 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 122.085 1.857 . . . . 0.0 110.328 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.9 m -147.74 85.63 1.57 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.325 1.45 . . . . 0.0 109.326 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 75.0 t80 -82.66 -88.52 0.09 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.753 0.821 . . . . 0.0 109.306 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.54 -34.06 72.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.623 1.569 . . . . 0.0 112.242 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.2 -15.34 62.92 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 177.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.5 t -100.14 -40.57 7.52 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.193 0.997 . . . . 0.0 112.027 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 2.4 pt -81.99 27.97 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.054 1.742 . . . . 0.0 113.54 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 5.7 m -54.22 -27.13 32.51 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 -160.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.7 26.53 4.02 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.065 1.346 . . . . 0.0 113.101 173.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 4.2 mp -129.02 -15.05 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 125.988 1.715 . . . . 0.0 111.251 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -128.52 37.74 4.08 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.958 1.703 . . . . 0.0 111.656 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.16 -166.94 0.1 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.984 1.313 . . . . 0.0 112.831 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -62.02 -173.15 1.53 Allowed Glycine 0 CA--C 1.549 2.208 0 C-N-CA 124.954 1.264 . . . . 0.0 114.965 166.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -64.66 160.38 40.49 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.703 2.935 . . . . 0.0 113.405 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.93 150.9 76.2 Favored Pre-proline 0 CA--C 1.556 1.197 0 C-N-CA 124.265 1.026 . . . . 0.0 113.454 -173.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.75 152.39 80.66 Favored 'Trans proline' 0 CA--C 1.548 1.221 0 C-N-CA 123.355 2.703 . . . . 0.0 113.629 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.04 111.72 2.94 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.967 3.111 . . . . 0.0 113.122 -166.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.84 22.52 72.08 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 123.955 0.788 . . . . 0.0 114.873 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -112.68 161.54 16.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.883 1.673 . . . . 0.0 111.516 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -129.85 149.64 51.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.297 1.839 . . . . 0.0 108.938 170.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.3 mp -143.03 122.66 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.151 1.38 . . . . 0.0 108.365 -169.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -130.6 160.26 34.72 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.079 0.952 . . . . 0.0 111.746 -171.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -130.39 110.45 11.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.945 1.698 . . . . 0.0 108.953 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 55.7 p -79.22 161.7 26.19 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.426 0.632 . . . . 0.0 112.034 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.99 -15.24 42.46 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.94 -10.75 60.26 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 170.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 86.25 34.17 12.95 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.338 0.97 . . . . 0.0 113.115 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -128.37 134.07 48.77 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.96 1.304 . . . . 0.0 111.353 -170.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -95.47 138.16 33.54 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.294 1.438 . . . . 0.0 110.836 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -137.55 155.22 49.48 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.607 1.563 . . . . 0.0 110.439 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -115.58 148.13 39.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.236 1.014 . . . . 0.0 110.526 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 99.6 t -137.24 128.12 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 126.653 1.981 . . . . 0.0 109.037 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -115.67 111.43 20.6 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.45 1.1 . . . . 0.0 110.484 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -71.32 -21.21 62.09 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -68.04 -29.91 69.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.963 0.905 . . . . 0.0 113.248 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 68.6 p -133.48 8.19 3.91 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.401 1.48 . . . . 0.0 113.522 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 63.79 2.99 1.44 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.174 2.589 . . . . 0.0 115.512 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -73.53 170.85 14.3 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.781 1.232 . . . . 0.0 113.652 -176.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 51.3 p -143.02 165.26 27.84 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.796 1.638 . . . . 0.0 111.516 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 4.9 t -160.28 157.4 28.01 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.126 0.971 . . . . 0.0 112.392 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -79.66 -12.44 59.82 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.31 1.844 . . . . 0.0 113.812 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -148.53 -164.43 2.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.799 1.639 . . . . 0.0 111.506 -171.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -118.86 75.77 13.78 Favored Pre-proline 0 CA--C 1.549 0.915 0 O-C-N 120.935 -1.103 . . . . 0.0 110.937 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -75.08 -174.78 2.07 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 124.247 3.298 . . . . 0.0 112.496 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -47.23 145.01 3.9 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 125.414 1.486 . . . . 0.0 113.198 173.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.94 166.13 28.85 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.13 2.554 . . . . 0.0 112.592 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -128.77 124.14 4.52 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.119 1.342 . . . . 0.0 111.276 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . 38.25 56.42 4.83 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 126.539 1.936 . . . . 0.0 115.388 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 C--O 1.254 1.319 0 C-N-CA 123.951 3.101 . . . . 0.0 113.427 -179.559 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 19.8 m120 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 121.021 0.439 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 33.9 p -77.44 166.89 22.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.78 1.632 . . . . 0.0 113.511 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 114.42 176.93 19.04 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.357 1.456 . . . . 0.0 113.816 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -66.85 105.29 1.56 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.673 0.789 . . . . 0.0 110.75 171.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 20.5 tptt -141.45 -170.45 3.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.806 2.042 . . . . 0.0 110.012 -175.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -53.4 118.64 15.01 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.036 0.835 . . . . 0.0 111.196 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.1 123.43 8.33 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 122.444 2.096 . . . . 0.0 110.901 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.24 128.29 14.5 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.42 2.08 . . . . 0.0 110.441 173.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 49.9 m -152.14 85.92 1.29 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.697 1.199 . . . . 0.0 110.139 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 55.6 t80 -81.71 -88.78 0.08 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.457 0.703 . . . . 0.0 110.214 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -60.96 -31.95 71.49 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.898 -1.126 . . . . 0.0 112.313 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.96 -4.82 18.18 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 40.2 t -114.31 -41.28 3.5 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.823 1.249 . . . . 0.0 111.974 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 1.3 pt -88.15 18.73 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.176 2.19 . . . . 0.0 113.847 177.46 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 14.6 m -54.76 -25.45 27.9 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 118.382 2.734 . . . . 0.0 118.382 -160.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -126.87 16.55 7.39 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.939 1.295 . . . . 0.0 113.753 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 2.8 mp -128.48 2.35 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 C-N-CA 126.599 1.96 . . . . 0.0 110.771 -176.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.69 36.48 0.63 Allowed 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.19 -1.569 . . . . 0.0 113.348 -172.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.92 143.11 27.15 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.889 1.275 . . . . 0.0 113.456 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 98.31 174.0 32.72 Favored Glycine 0 CA--C 1.545 1.931 0 C-N-CA 125.171 1.367 . . . . 0.0 114.535 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -74.02 161.96 40.02 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 124.127 3.218 . . . . 0.0 112.685 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.71 156.06 55.93 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 123.902 0.881 . . . . 0.0 112.669 179.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.33 157.45 61.17 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.79 2.993 . . . . 0.0 113.752 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -72.11 112.68 3.48 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.028 3.152 . . . . 0.0 113.071 -170.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 64.92 27.61 72.4 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 114.858 0.703 . . . . 0.0 114.858 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -121.25 160.03 24.73 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.521 1.928 . . . . 0.0 111.135 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -128.2 150.76 49.88 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.034 1.734 . . . . 0.0 109.382 170.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -141.04 122.19 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.55 1.54 . . . . 0.0 108.422 -170.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.49 157.94 41.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.781 0.832 . . . . 0.0 111.581 -173.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -130.95 99.83 5.04 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.806 1.642 . . . . 0.0 108.846 -167.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 71.6 p -69.77 157.29 37.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.47 0.708 . . . . 0.0 112.559 -175.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.25 -13.39 27.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -73.76 -8.99 58.18 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.531 1.133 . . . . 0.0 113.78 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.81 30.63 25.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.059 0.838 . . . . 0.0 113.166 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -129.5 132.12 46.82 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.783 1.233 . . . . 0.0 111.471 -175.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 10.7 ttp85 -88.47 143.83 26.74 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.716 1.606 . . . . 0.0 111.265 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -139.22 157.01 46.67 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.888 1.675 . . . . 0.0 110.493 175.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -117.86 149.52 40.71 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.703 1.201 . . . . 0.0 110.346 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 90.2 t -135.21 125.62 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.449 1.9 . . . . 0.0 109.565 -168.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.55 100.32 9.59 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.087 1.355 . . . . 0.0 110.716 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -63.78 -18.87 64.52 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -71.45 -28.53 64.03 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.242 1.017 . . . . 0.0 113.235 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 62.3 p -133.56 4.94 3.68 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.144 1.378 . . . . 0.0 113.903 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 64.44 3.63 1.94 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.599 2.359 . . . . 0.0 114.632 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -72.78 168.34 19.01 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.17 1.388 . . . . 0.0 113.089 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 34.1 p -145.44 161.92 38.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.891 1.677 . . . . 0.0 111.363 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.8 t -158.81 160.1 35.86 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.904 0.882 . . . . 0.0 112.605 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -84.31 -11.29 56.64 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.387 1.875 . . . . 0.0 113.395 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -142.67 -168.62 2.8 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.81 1.644 . . . . 0.0 111.642 -172.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -115.27 75.0 4.23 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.485 1.114 . . . . 0.0 111.479 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -75.89 -174.24 1.97 Allowed 'Trans proline' 0 CA--C 1.545 1.05 0 C-N-CA 124.264 3.309 . . . . 0.0 112.356 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.88 138.91 3.99 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 125.594 1.558 . . . . 0.0 113.05 171.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.11 -27.14 14.18 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.987 2.458 . . . . 0.0 113.749 -175.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.23 -177.36 32.57 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.454 1.026 . . . . 0.0 114.723 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -148.18 59.98 4.84 Favored Pre-proline 0 CA--C 1.555 1.169 0 C-N-CA 125.277 1.431 . . . . 0.0 111.726 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo . . . . . 0 C--O 1.253 1.23 0 C-N-CA 124.154 3.236 . . . . 0.0 113.458 -176.387 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 37.9 p -66.26 167.59 10.07 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.55 0.74 . . . . 0.0 112.317 169.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -167.58 -143.06 3.65 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.686 1.136 . . . . 0.0 112.345 -173.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . 47.99 51.92 13.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.869 1.667 . . . . 0.0 114.118 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.58 -169.91 1.72 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.506 1.922 . . . . 0.0 111.907 -173.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -49.81 118.92 9.22 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 123.887 0.875 . . . . 0.0 111.289 170.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.44 121.12 6.89 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.268 1.979 . . . . 0.0 110.565 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.31 129.71 17.47 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.329 2.019 . . . . 0.0 110.557 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 57.8 m -152.53 87.57 1.31 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.712 1.205 . . . . 0.0 109.687 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.5 t80 -82.65 -87.16 0.1 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.52 0.728 . . . . 0.0 109.943 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.73 -35.34 74.35 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.014 -1.054 . . . . 0.0 112.895 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.58 -7.13 35.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 34.7 t -105.45 -38.85 6.33 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.211 1.004 . . . . 0.0 112.748 169.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 7.1 pt -81.18 -19.23 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 40.0 mttp . . . . . 0 C--O 1.255 1.38 0 CA-C-N 119.454 1.025 . . . . 0.0 111.393 168.812 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 55.6 t . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 118.908 -0.567 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 8.6 m -50.14 -26.96 5.05 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 118.95 2.945 . . . . 0.0 118.95 -159.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -131.69 17.73 4.75 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.749 1.22 . . . . 0.0 113.575 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.6 -19.24 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.681 1.593 . . . . 0.0 111.303 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -132.75 44.75 2.83 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.773 1.629 . . . . 0.0 111.415 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.16 152.15 25.22 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.892 1.277 . . . . 0.0 113.044 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 87.36 -177.47 47.28 Favored Glycine 0 CA--C 1.544 1.862 0 C-N-CA 124.469 1.033 . . . . 0.0 114.332 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.87 154.62 63.24 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.803 3.002 . . . . 0.0 112.321 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.28 154.68 74.55 Favored Pre-proline 0 CA--C 1.556 1.177 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.55 155.75 68.93 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 124.207 3.271 . . . . 0.0 113.745 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.26 112.92 3.55 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.879 3.053 . . . . 0.0 112.868 -171.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.24 27.46 73.0 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.866 0.706 . . . . 0.0 114.866 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -123.39 162.32 23.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.328 1.851 . . . . 0.0 111.425 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -135.15 148.48 49.75 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.066 2.146 . . . . 0.0 108.893 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -140.05 120.73 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.736 1.215 . . . . 0.0 109.109 -169.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -130.76 145.46 51.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.593 1.157 . . . . 0.0 110.089 -168.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -125.82 101.96 7.09 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.677 1.591 . . . . 0.0 108.901 -169.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 63.8 p -69.77 155.9 39.83 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.836 0.854 . . . . 0.0 112.24 -174.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.05 -12.78 28.79 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -77.99 -4.51 47.38 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.664 1.186 . . . . 0.0 113.715 171.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 86.62 30.98 19.95 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.316 0.96 . . . . 0.0 113.684 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -131.8 134.12 45.45 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.532 1.133 . . . . 0.0 111.76 -174.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -91.5 144.5 25.49 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.722 1.209 . . . . 0.0 111.403 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -137.66 160.45 39.17 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.349 1.46 . . . . 0.0 110.752 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.8 151.83 27.35 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.581 1.553 . . . . 0.0 110.592 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 96.2 t -135.19 123.61 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.954 1.702 . . . . 0.0 109.373 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.16 103.89 14.96 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.015 1.326 . . . . 0.0 110.616 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -65.3 -19.04 65.78 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -75.42 -31.96 60.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.311 1.044 . . . . 0.0 113.54 -174.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 53.2 p -130.49 6.37 4.81 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.446 1.498 . . . . 0.0 113.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 64.98 4.36 2.46 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 128.006 2.523 . . . . 0.0 114.974 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -74.62 168.17 20.31 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.377 1.471 . . . . 0.0 113.023 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 41.4 p -147.13 160.45 42.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.664 1.586 . . . . 0.0 111.488 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.2 t -159.77 158.83 31.89 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.255 1.022 . . . . 0.0 112.057 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -82.6 -19.74 37.83 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.955 1.302 . . . . 0.0 113.499 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -129.84 -171.19 2.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.057 1.343 . . . . 0.0 112.638 -169.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -115.34 76.54 5.12 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 124.603 1.161 . . . . 0.0 111.092 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.97 -173.49 1.42 Allowed 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 124.196 3.264 . . . . 0.0 112.024 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -47.98 146.22 4.32 Favored Pre-proline 0 N--CA 1.479 0.988 0 C-N-CA 124.634 1.173 . . . . 0.0 112.7 169.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -68.15 164.72 31.04 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.053 2.502 . . . . 0.0 112.675 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -66.35 169.08 33.31 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.028 0.823 . . . . 0.0 113.993 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -145.16 153.2 52.59 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 125.209 1.403 . . . . 0.0 111.631 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 C--O 1.252 1.22 0 C-N-CA 124.082 3.188 . . . . 0.0 113.275 179.015 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 11.9 p -80.15 153.64 28.52 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.166 1.386 . . . . 0.0 112.723 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 133.32 149.25 6.07 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.537 1.541 . . . . 0.0 113.643 174.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -83.31 62.78 6.89 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.176 1.391 . . . . 0.0 112.496 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -177.33 0.37 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.964 1.305 . . . . 0.0 112.527 172.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -48.92 123.03 11.8 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 123.931 0.893 . . . . 0.0 112.482 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.4 124.46 9.42 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.599 2.199 . . . . 0.0 111.349 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.64 125.07 10.8 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.722 2.281 . . . . 0.0 110.979 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 50.7 m -149.2 94.17 2.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.077 1.351 . . . . 0.0 110.045 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 47.7 t80 -89.75 -91.49 0.13 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.814 0.846 . . . . 0.0 110.307 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.46 -29.61 66.32 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.02 -1.05 . . . . 0.0 113.101 171.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.62 -18.71 65.51 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.8 t -97.47 -43.37 7.29 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.444 1.097 . . . . 0.0 112.243 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 11.4 pt -82.07 25.99 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -174.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 20.9 pttp . . . . . 0 C--O 1.255 1.374 0 C-N-CA 126.159 1.784 . . . . 0.0 113.464 -178.857 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 7.0 m -53.87 -26.81 26.57 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 -159.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.62 15.06 7.05 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.733 1.213 . . . . 0.0 113.718 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.72 -18.86 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.063 1.745 . . . . 0.0 111.023 -175.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -124.65 51.1 1.65 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.371 1.868 . . . . 0.0 110.216 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.49 -177.5 0.31 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.095 1.758 . . . . 0.0 112.811 173.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -54.98 164.95 3.36 Favored Glycine 0 CA--C 1.548 2.118 0 C-N-CA 124.798 1.189 . . . . 0.0 115.391 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.48 149.85 87.42 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.82 3.013 . . . . 0.0 113.236 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.36 152.08 96.52 Favored Pre-proline 0 CA--C 1.556 1.188 0 C-N-CA 123.638 0.775 . . . . 0.0 113.027 -174.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.33 154.95 72.47 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 123.538 2.826 . . . . 0.0 113.559 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.94 114.46 3.9 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.929 3.086 . . . . 0.0 113.138 -168.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.27 29.84 76.27 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 123.78 0.705 . . . . 0.0 114.665 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -121.79 162.66 20.48 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.301 1.84 . . . . 0.0 111.708 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -131.42 150.04 52.3 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.891 1.676 . . . . 0.0 109.441 169.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -141.32 122.6 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.418 1.487 . . . . 0.0 108.061 -170.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -129.95 158.66 38.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.524 1.129 . . . . 0.0 110.959 -172.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -131.96 104.19 6.71 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.783 1.633 . . . . 0.0 108.58 -170.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 61.6 p -71.99 158.28 36.27 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.471 0.653 . . . . 0.0 111.968 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.73 60.61 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.78 -13.23 62.27 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 168.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 95.69 19.67 28.82 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.192 1.377 . . . . 0.0 113.873 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -117.44 129.92 56.14 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.62 1.21 . . . . 0.0 111.557 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -84.19 141.0 31.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.063 0.945 . . . . 0.0 111.229 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -138.92 160.18 40.37 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.707 1.603 . . . . 0.0 110.496 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -118.24 149.89 40.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.496 1.519 . . . . 0.0 110.192 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.52 124.98 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.866 1.666 . . . . 0.0 109.831 -174.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -99.18 106.87 19.09 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.21 1.404 . . . . 0.0 110.418 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -68.63 -20.59 64.48 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.85 -30.81 68.39 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.615 1.166 . . . . 0.0 113.164 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.3 p -134.7 5.8 3.42 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.722 1.609 . . . . 0.0 113.673 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 63.9 7.02 3.04 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.572 2.349 . . . . 0.0 115.461 -174.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -68.88 164.84 21.16 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.409 1.484 . . . . 0.0 113.373 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 12.3 p -146.24 157.03 43.79 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.975 1.71 . . . . 0.0 111.835 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 1.8 t -157.87 146.39 19.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.275 1.03 . . . . 0.0 111.399 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -74.22 -37.73 63.75 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.167 0.987 . . . . 0.0 112.494 173.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -105.88 -174.71 2.6 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.671 1.588 . . . . 0.0 111.239 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -115.6 76.97 5.83 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.94 1.296 . . . . 0.0 111.04 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.71 -164.04 0.21 Allowed 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 125.004 3.803 . . . . 0.0 112.373 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -115.68 64.34 2.22 Favored Pre-proline 0 N--CA 1.478 0.959 0 C-N-CA 125.986 1.714 . . . . 0.0 112.554 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.56 -13.7 37.95 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.14 2.56 . . . . 0.0 113.793 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -76.82 -14.36 82.65 Favored Glycine 0 CA--C 1.541 1.683 0 C-N-CA 124.628 1.109 . . . . 0.0 114.49 171.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -68.68 154.25 94.87 Favored Pre-proline 0 CA--C 1.554 1.129 0 CA-C-N 118.754 1.277 . . . . 0.0 112.073 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--O 1.252 1.219 0 C-N-CA 123.794 2.996 . . . . 0.0 113.236 177.851 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 19.6 p -71.46 86.42 0.86 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.305 1.442 . . . . 0.0 112.892 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -174.77 42.38 0.13 Allowed Glycine 0 CA--C 1.533 1.2 0 O-C-N 121.68 -0.638 . . . . 0.0 114.519 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -136.49 135.18 38.36 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.763 1.282 . . . . 0.0 112.367 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 16.7 tptp -142.89 -12.59 0.75 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.45 1.5 . . . . 0.0 114.353 -178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -140.49 135.35 15.82 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 126.285 1.834 . . . . 0.0 109.133 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.54 128.61 12.84 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.354 2.036 . . . . 0.0 110.991 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.99 120.29 6.94 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.534 2.156 . . . . 0.0 110.508 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 69.0 m -147.89 89.13 1.72 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.937 1.295 . . . . 0.0 109.825 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 81.0 t80 -88.93 -86.31 0.18 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.85 0.86 . . . . 0.0 109.288 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.42 -34.58 75.63 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.35 1.46 . . . . 0.0 112.293 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -69.03 -16.59 63.74 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.704 1.202 . . . . 0.0 114.127 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.1 t -97.91 -41.4 8.03 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.085 0.954 . . . . 0.0 111.99 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.9 pt -79.52 27.01 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 -177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.259 1.555 0 C-N-CA 126.502 1.921 . . . . 0.0 113.754 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 118.686 -0.674 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 8.5 m -50.52 -24.53 3.24 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 -159.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -135.16 17.28 3.45 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.198 1.399 . . . . 0.0 113.788 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.3 mp -127.67 -9.71 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 126.175 1.79 . . . . 0.0 111.416 -175.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -132.5 35.49 3.63 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 126.424 1.889 . . . . 0.0 111.136 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.47 149.06 26.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.054 1.342 . . . . 0.0 113.49 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 79.85 -178.7 53.65 Favored Glycine 0 CA--C 1.545 1.925 0 C-N-CA 124.551 1.072 . . . . 0.0 114.385 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.52 152.39 65.34 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.55 2.834 . . . . 0.0 112.079 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.38 154.3 91.88 Favored Pre-proline 0 CA--C 1.555 1.144 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.92 154.85 71.81 Favored 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.594 2.863 . . . . 0.0 113.518 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -72.13 112.51 3.44 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.92 3.08 . . . . 0.0 113.043 -169.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.41 73.11 Favored Glycine 0 CA--C 1.538 1.523 0 N-CA-C 114.874 0.71 . . . . 0.0 114.874 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -124.71 160.76 27.85 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.28 1.832 . . . . 0.0 111.418 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -126.94 151.83 47.97 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.102 1.761 . . . . 0.0 109.293 168.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -141.26 122.62 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.364 1.466 . . . . 0.0 108.073 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.63 161.18 33.31 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.614 0.766 . . . . 0.0 111.433 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -129.75 102.94 6.55 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.434 1.494 . . . . 0.0 108.647 -172.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 42.4 p -69.22 145.27 53.33 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.619 -0.675 . . . . 0.0 111.033 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -58.17 -20.83 44.04 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -71.33 -10.08 59.18 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.293 1.437 . . . . 0.0 114.647 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 105.03 34.86 3.33 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 115.576 0.99 . . . . 0.0 115.576 170.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -137.86 153.44 49.58 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.925 1.363 . . . . 0.0 112.446 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -103.86 142.55 34.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.385 1.474 . . . . 0.0 110.973 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -138.85 159.52 41.92 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.127 1.771 . . . . 0.0 111.019 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -121.32 147.71 45.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.85 1.26 . . . . 0.0 110.551 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.22 124.2 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.364 1.866 . . . . 0.0 109.763 -167.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -105.17 105.8 16.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.33 1.452 . . . . 0.0 110.6 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -69.54 -17.63 63.59 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -72.11 -31.21 65.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.172 0.989 . . . . 0.0 113.012 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 59.8 p -135.96 7.58 3.2 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.71 1.604 . . . . 0.0 113.542 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 65.33 10.02 6.16 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.986 2.514 . . . . 0.0 114.968 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -75.24 166.45 23.6 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.106 1.362 . . . . 0.0 113.027 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 24.3 p -145.6 156.78 43.89 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.744 1.618 . . . . 0.0 111.297 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.4 t -157.15 161.83 39.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.69 0.796 . . . . 0.0 112.528 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.75 -13.41 51.34 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.305 1.842 . . . . 0.0 113.279 -175.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -151.74 -165.14 2.15 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.049 1.739 . . . . 0.0 111.537 -172.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -118.99 76.91 15.1 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 124.644 1.178 . . . . 0.0 111.146 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -74.43 178.06 7.54 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 124.03 3.154 . . . . 0.0 112.733 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -53.8 151.64 11.36 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 124.282 1.033 . . . . 0.0 112.575 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.75 -16.15 29.9 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.456 2.771 . . . . 0.0 114.822 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 92.76 87.73 1.55 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.317 0.961 . . . . 0.0 112.161 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -131.17 59.93 49.42 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 125.073 1.349 . . . . 0.0 112.573 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--O 1.254 1.323 0 C-N-CA 124.067 3.178 . . . . 0.0 113.325 178.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.725 0.298 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 28.2 p -135.26 163.97 28.78 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.101 1.76 . . . . 0.0 110.714 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -119.73 167.7 13.5 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.465 1.031 . . . . 0.0 114.077 -175.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -76.0 60.07 1.36 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.04 1.736 . . . . 0.0 113.382 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -178.72 0.37 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.823 1.649 . . . . 0.0 112.097 170.038 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -50.1 133.54 23.06 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 124.014 0.926 . . . . 0.0 112.202 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.41 131.53 21.93 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.446 2.097 . . . . 0.0 111.208 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.67 124.39 10.67 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.723 2.282 . . . . 0.0 110.779 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 74.2 m -147.82 83.23 1.52 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.188 1.395 . . . . 0.0 109.918 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 72.3 t80 -81.97 -87.86 0.09 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.431 0.692 . . . . 0.0 110.303 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.23 -37.64 80.96 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.01 -1.056 . . . . 0.0 112.355 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.81 -10.46 37.92 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 43.8 t -98.33 -42.55 7.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.255 1.022 . . . . 0.0 112.246 168.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 12.0 pt -83.9 -8.5 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 8.1 ptpt . . . . . 0 C--O 1.254 1.299 0 C-N-CA 125.121 1.369 . . . . 0.0 113.887 172.417 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.497 1.903 0 CA-C-O 118.798 -0.62 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 7.1 m -52.33 -21.12 3.22 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.965 2.95 . . . . 0.0 118.965 -159.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -134.96 16.92 3.5 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.249 1.419 . . . . 0.0 113.598 175.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 4.1 mp -125.28 -18.43 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.024 1.729 . . . . 0.0 111.349 -175.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -122.0 25.61 9.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.697 1.599 . . . . 0.0 112.226 -177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.79 137.89 49.04 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.483 1.513 . . . . 0.0 113.27 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 166.47 -175.18 41.92 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.117 1.342 . . . . 0.0 113.203 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.46 156.64 65.28 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.569 2.846 . . . . 0.0 112.279 175.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.46 152.32 94.87 Favored Pre-proline 0 CA--C 1.555 1.158 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -177.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.89 152.23 80.81 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.507 2.805 . . . . 0.0 113.568 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.29 112.36 3.31 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.874 3.049 . . . . 0.0 113.037 -168.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 71.08 23.73 77.79 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 114.975 0.75 . . . . 0.0 114.975 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -120.21 162.81 18.75 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.959 1.704 . . . . 0.0 111.686 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -131.28 152.87 50.13 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.326 1.851 . . . . 0.0 109.363 170.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.7 mp -141.11 131.98 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.52 1.528 . . . . 0.0 108.7 -170.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -132.69 151.62 51.92 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.842 1.257 . . . . 0.0 110.761 -171.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -125.26 98.94 5.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.856 1.663 . . . . 0.0 108.98 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 53.8 p -75.79 157.01 33.98 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.319 0.647 . . . . 0.0 112.529 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.99 58.95 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -72.4 -9.24 58.27 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 170.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.38 29.12 22.97 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.525 1.06 . . . . 0.0 113.08 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -124.94 122.52 37.59 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.671 1.188 . . . . 0.0 111.114 -172.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -82.6 143.19 31.18 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.666 1.186 . . . . 0.0 111.237 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -140.51 162.61 34.95 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.219 1.408 . . . . 0.0 111.037 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -119.31 154.04 34.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.797 1.639 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 91.0 t -140.18 126.88 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 126.374 1.869 . . . . 0.0 109.518 -170.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -108.83 105.96 15.76 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.113 1.365 . . . . 0.0 110.652 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -69.16 -15.6 63.45 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -73.73 -30.45 62.83 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.202 -0.936 . . . . 0.0 113.029 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 50.1 p -136.22 3.08 2.84 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 125.328 1.451 . . . . 0.0 113.898 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 66.36 5.99 4.04 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.676 2.39 . . . . 0.0 115.156 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -65.93 161.91 20.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.766 1.626 . . . . 0.0 112.618 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 82.3 p -146.48 163.87 34.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.511 1.524 . . . . 0.0 111.205 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 8.6 t -161.67 161.54 29.54 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.884 0.874 . . . . 0.0 112.782 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -90.32 -9.29 48.32 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.496 1.918 . . . . 0.0 113.105 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -134.82 -170.46 2.57 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.77 1.228 . . . . 0.0 112.89 -174.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -117.8 73.07 8.66 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.9 1.28 . . . . 0.0 111.593 -175.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.44 177.93 7.72 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 124.047 3.165 . . . . 0.0 112.462 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -56.0 151.23 25.92 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 124.379 1.072 . . . . 0.0 112.169 171.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.75 -12.04 24.17 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.432 2.754 . . . . 0.0 114.69 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -106.97 161.07 13.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.976 1.274 . . . . 0.0 113.307 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -65.81 151.44 94.95 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 124.291 1.036 . . . . 0.0 113.02 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 C--O 1.253 1.235 0 C-N-CA 124.039 3.159 . . . . 0.0 113.252 176.17 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 40.8 p -141.9 162.9 34.33 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.491 1.516 . . . . 0.0 112.22 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 173.64 -72.3 0.09 OUTLIER Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.621 1.105 . . . . 0.0 112.083 173.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . 45.34 39.14 4.09 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.36 2.264 . . . . 0.0 115.014 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -90.08 12.71 16.95 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.759 1.224 . . . . 0.0 113.847 -172.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -135.05 98.41 12.94 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.009 1.724 . . . . 0.0 109.742 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.62 123.21 10.23 Favored 'Trans proline' 0 CA--C 1.547 1.136 0 C-N-CA 122.582 2.188 . . . . 0.0 111.404 -176.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.72 122.24 8.04 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.865 2.377 . . . . 0.0 111.386 177.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.6 m -148.07 87.6 1.62 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.254 1.422 . . . . 0.0 110.214 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 63.6 t80 -88.78 -87.86 0.16 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.614 0.765 . . . . 0.0 110.476 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.21 -30.71 71.28 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.911 -1.118 . . . . 0.0 112.73 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.62 -7.69 41.04 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.7 t -105.65 -41.53 5.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.957 1.303 . . . . 0.0 112.337 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 30.6 pt -79.76 6.08 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 61.1 mttm . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.507 1.923 . . . . 0.0 111.277 173.263 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.654 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 12.3 m -49.3 -30.73 7.83 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 -158.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.4 16.18 6.03 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.043 1.337 . . . . 0.0 113.692 175.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.03 -7.4 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.997 1.719 . . . . 0.0 111.387 -173.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -128.92 29.65 5.18 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.712 1.605 . . . . 0.0 112.16 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -103.86 -177.32 3.33 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.704 1.601 . . . . 0.0 112.924 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -69.2 -176.24 13.42 Favored Glycine 0 CA--C 1.546 2.008 0 C-N-CA 125.489 1.518 . . . . 0.0 115.148 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -67.72 152.22 78.03 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.959 3.106 . . . . 0.0 113.083 -175.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.77 155.39 87.0 Favored Pre-proline 0 CA--C 1.556 1.195 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -177.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.68 156.83 64.19 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 C-N-CA 123.785 2.99 . . . . 0.0 113.629 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.13 113.76 3.78 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.016 3.144 . . . . 0.0 113.064 -170.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.01 26.75 71.57 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.852 0.701 . . . . 0.0 114.852 176.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -120.94 161.08 22.19 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.424 1.89 . . . . 0.0 111.029 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -130.51 151.2 51.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.165 1.786 . . . . 0.0 109.285 172.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -141.44 123.52 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 125.268 1.427 . . . . 0.0 108.509 -169.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -130.48 156.61 44.49 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.583 1.153 . . . . 0.0 110.993 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -128.44 93.07 3.55 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.308 1.443 . . . . 0.0 108.972 -169.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 25.9 p -66.18 145.25 56.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.075 0.95 . . . . 0.0 111.577 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -60.96 -14.72 24.54 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -176.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.07 -10.94 16.33 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.358 1.463 . . . . 0.0 114.65 167.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 90.39 38.33 6.31 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.57 1.081 . . . . 0.0 113.218 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -136.42 158.03 45.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.359 1.463 . . . . 0.0 111.26 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -112.9 139.86 48.19 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.201 1.401 . . . . 0.0 110.358 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -135.8 157.25 47.31 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.631 1.572 . . . . 0.0 110.405 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -116.95 149.8 39.58 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 125.258 1.423 . . . . 0.0 110.3 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 82.4 t -136.41 126.23 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 126.654 1.982 . . . . 0.0 108.783 -168.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -109.08 116.58 32.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.715 1.206 . . . . 0.0 109.965 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -78.05 -16.71 57.82 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -72.61 -33.88 66.98 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.829 1.252 . . . . 0.0 113.09 -173.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 52.9 p -132.62 10.09 4.33 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.723 1.609 . . . . 0.0 113.224 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 67.58 7.8 5.89 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.524 2.33 . . . . 0.0 114.768 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -67.05 163.95 18.89 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.49 1.516 . . . . 0.0 113.768 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 16.7 p -145.76 156.47 43.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.092 1.757 . . . . 0.0 111.509 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.7 t -158.52 156.29 29.97 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.141 0.977 . . . . 0.0 112.246 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -86.88 -17.25 33.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.319 1.447 . . . . 0.0 113.428 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -120.03 -168.8 1.67 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.997 1.319 . . . . 0.0 111.674 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.64 74.16 8.83 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.292 1.037 . . . . 0.0 110.789 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -75.15 -171.31 0.96 Allowed 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 124.36 3.373 . . . . 0.0 112.117 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -46.4 145.26 2.87 Favored Pre-proline 0 N--CA 1.478 0.975 0 C-N-CA 125.197 1.399 . . . . 0.0 113.078 172.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.27 -23.88 20.38 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.727 2.285 . . . . 0.0 113.186 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 142.84 -115.34 0.92 Allowed Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.365 1.46 . . . . 0.0 111.668 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -146.82 65.12 9.7 Favored Pre-proline 0 CA--C 1.557 1.213 0 C-N-CA 126.229 1.812 . . . . 0.0 111.376 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 C--O 1.253 1.235 0 C-N-CA 124.159 3.239 . . . . 0.0 113.533 -178.014 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 120.893 0.377 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 26.2 p -137.69 15.31 2.92 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.961 1.305 . . . . 0.0 113.601 -174.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 73.43 31.18 61.32 Favored Glycine 0 CA--C 1.536 1.392 0 O-C-N 121.045 -1.034 . . . . 0.0 114.269 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -135.51 143.22 45.66 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.241 1.416 . . . . 0.0 111.711 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 4.5 tptt -153.55 178.54 9.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.941 2.096 . . . . 0.0 109.941 176.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.72 119.6 45.58 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-O 118.612 -0.709 . . . . 0.0 110.417 168.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -73.07 129.9 14.74 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.144 1.896 . . . . 0.0 110.463 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.05 131.36 23.6 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.219 1.946 . . . . 0.0 110.156 172.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 35.1 m -159.25 74.09 0.62 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.127 1.371 . . . . 0.0 109.919 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.9 t80 -74.71 -83.0 0.06 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.261 0.624 . . . . 0.0 110.775 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -63.66 -37.13 86.18 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.179 -0.951 . . . . 0.0 112.449 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.82 -19.14 65.78 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 41.3 t -87.59 -42.32 12.8 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.611 0.764 . . . . 0.0 112.238 170.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.7 pt -83.24 -8.68 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -173.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 11.0 ptmt . . . . . 0 N--CA 1.482 1.169 0 C-N-CA 124.991 1.316 . . . . 0.0 113.696 -179.793 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 9.6 m -49.43 -27.91 4.64 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.303 2.705 . . . . 0.0 118.303 -162.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -129.65 17.68 5.79 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.489 1.515 . . . . 0.0 113.49 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.1 mp -127.93 -7.55 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 125.967 1.707 . . . . 0.0 111.584 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.96 47.97 1.41 Allowed 'General case' 0 CA--C 1.547 0.856 0 O-C-N 120.381 -1.449 . . . . 0.0 113.21 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.27 146.99 26.7 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.6 1.16 . . . . 0.0 113.119 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 113.4 176.65 19.4 Favored Glycine 0 CA--C 1.544 1.855 0 C-N-CA 125.179 1.371 . . . . 0.0 114.727 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -73.21 162.35 40.79 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 124.203 3.268 . . . . 0.0 112.662 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.98 155.79 58.07 Favored Pre-proline 0 CA--C 1.556 1.192 0 C-N-CA 123.842 0.857 . . . . 0.0 112.901 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.26 157.2 62.26 Favored 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 123.859 3.039 . . . . 0.0 113.839 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.45 114.89 4.13 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.997 3.132 . . . . 0.0 113.128 -170.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 64.52 26.19 70.66 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 114.912 0.725 . . . . 0.0 114.912 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -120.14 159.91 23.92 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.254 1.822 . . . . 0.0 111.018 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -129.18 150.05 50.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.271 1.828 . . . . 0.0 108.85 170.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -144.03 126.21 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.868 1.267 . . . . 0.0 108.69 -169.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -133.66 161.58 34.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.798 0.839 . . . . 0.0 112.484 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -131.06 98.32 4.55 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.046 1.738 . . . . 0.0 109.054 -167.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 68.2 p -74.57 152.54 39.28 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.583 -0.698 . . . . 0.0 111.603 -177.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.14 -17.33 25.96 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.45 -12.16 55.78 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 170.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.64 38.69 6.49 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.254 0.93 . . . . 0.0 113.306 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -133.75 146.83 51.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.323 1.449 . . . . 0.0 111.027 -174.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.09 140.37 41.38 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.853 1.261 . . . . 0.0 110.851 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.06 152.37 49.98 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.392 1.477 . . . . 0.0 110.756 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -114.16 148.2 37.64 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.61 1.164 . . . . 0.0 110.5 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.86 124.88 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 126.601 1.96 . . . . 0.0 109.297 -170.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -106.45 119.41 39.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.941 1.296 . . . . 0.0 110.291 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -79.16 -15.66 57.77 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -73.59 -32.13 63.95 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.559 1.144 . . . . 0.0 112.99 -175.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 54.6 p -133.85 9.62 3.89 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.483 1.513 . . . . 0.0 113.578 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 64.86 11.14 6.7 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.242 2.217 . . . . 0.0 114.463 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -72.4 166.13 23.18 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.139 1.776 . . . . 0.0 113.814 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 41.2 p -145.93 163.01 36.47 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.661 1.585 . . . . 0.0 111.592 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.2 t -161.69 160.96 29.23 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.181 0.993 . . . . 0.0 112.345 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -82.92 -14.33 54.36 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.274 1.83 . . . . 0.0 113.542 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -148.92 -165.89 2.41 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.936 1.694 . . . . 0.0 111.395 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -117.79 75.97 10.46 Favored Pre-proline 0 CA--C 1.549 0.91 0 O-C-N 120.957 -1.089 . . . . 0.0 111.135 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -73.61 -179.9 4.95 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.022 3.148 . . . . 0.0 112.538 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -52.15 147.45 13.19 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.706 1.203 . . . . 0.0 112.294 172.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.54 106.19 1.03 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.635 2.89 . . . . 0.0 111.702 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 136.91 39.13 0.14 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.746 1.165 . . . . 0.0 114.187 -177.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -56.1 145.71 54.0 Favored Pre-proline 0 CA--C 1.557 1.224 0 CA-C-N 118.427 1.113 . . . . 0.0 112.471 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.253 1.249 0 C-N-CA 124.208 3.272 . . . . 0.0 114.023 -167.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 7.0 p -70.56 164.39 24.94 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.314 1.445 . . . . 0.0 114.256 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 91.86 166.82 39.99 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.426 1.489 . . . . 0.0 112.883 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -63.87 142.2 58.49 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.881 -0.776 . . . . 0.0 111.05 171.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 17.8 tptt -144.28 -170.42 3.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.137 1.775 . . . . 0.0 110.109 -176.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -50.6 113.53 3.74 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 123.923 0.889 . . . . 0.0 111.508 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -74.07 122.95 8.0 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.385 2.057 . . . . 0.0 110.908 -174.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.99 119.07 6.05 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.275 1.983 . . . . 0.0 110.675 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 71.0 m -146.13 87.19 1.73 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.548 1.539 . . . . 0.0 109.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -83.24 -86.47 0.11 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.531 0.733 . . . . 0.0 109.724 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.19 -37.24 79.64 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.295 -0.878 . . . . 0.0 112.411 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.85 -20.12 63.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.5 t -91.59 -44.55 8.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.069 0.948 . . . . 0.0 112.133 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.2 pt -82.17 -11.57 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -171.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 10.0 ptmt . . . . . 0 C--O 1.252 1.228 0 CA-C-N 119.879 1.218 . . . . 0.0 114.175 -177.696 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 118.725 -0.655 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 9.6 m -48.25 -30.76 5.06 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 118.807 2.892 . . . . 0.0 118.807 -159.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.93 14.04 6.84 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.798 1.239 . . . . 0.0 113.818 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.6 mp -121.46 -15.7 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.04 1.736 . . . . 0.0 111.35 -174.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -131.76 45.13 2.83 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.189 1.796 . . . . 0.0 110.578 -177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.1 149.57 36.76 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.478 1.111 . . . . 0.0 113.096 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 92.56 177.98 41.23 Favored Glycine 0 CA--C 1.544 1.904 0 C-N-CA 124.831 1.205 . . . . 0.0 114.395 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.45 158.45 51.21 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.882 3.055 . . . . 0.0 112.569 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.14 155.83 63.63 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 123.702 0.801 . . . . 0.0 112.774 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.14 156.48 64.85 Favored 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 124.238 3.292 . . . . 0.0 113.734 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -72.27 113.76 3.79 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.931 3.087 . . . . 0.0 112.862 -172.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.07 27.24 72.05 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -123.89 162.89 22.4 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.651 1.98 . . . . 0.0 111.049 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -131.22 154.69 48.17 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.273 1.829 . . . . 0.0 109.876 171.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.17 127.94 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.918 1.687 . . . . 0.0 108.433 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -131.71 155.6 47.39 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.522 1.129 . . . . 0.0 110.507 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -130.84 109.59 10.68 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.405 1.482 . . . . 0.0 108.012 -174.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 43.5 p -69.49 154.84 41.4 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.296 0.57 . . . . 0.0 111.528 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.48 33.47 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -79.96 -8.93 59.6 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.004 1.322 . . . . 0.0 113.597 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 99.43 24.55 10.08 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.524 1.059 . . . . 0.0 115.029 172.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -127.17 136.91 52.72 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.189 1.495 . . . . 0.0 112.515 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.24 141.7 28.45 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.671 1.189 . . . . 0.0 111.192 177.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -139.04 159.53 41.92 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.389 1.475 . . . . 0.0 110.744 172.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -108.4 152.26 24.91 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.997 1.319 . . . . 0.0 110.812 174.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 95.9 t -134.69 126.01 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 126.207 1.803 . . . . 0.0 109.164 -173.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -108.04 116.59 32.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.786 1.235 . . . . 0.0 109.883 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -79.87 -14.96 58.26 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -74.4 -32.92 62.87 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.243 1.417 . . . . 0.0 112.692 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 71.1 p -132.33 8.28 4.3 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.998 1.719 . . . . 0.0 113.233 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 68.99 4.07 4.34 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.863 2.465 . . . . 0.0 114.906 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -71.78 165.79 23.34 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.286 1.435 . . . . 0.0 113.199 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 20.8 p -145.84 157.41 43.92 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.8 1.64 . . . . 0.0 111.384 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 9.7 t -158.13 155.75 29.69 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.744 0.818 . . . . 0.0 112.398 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -89.36 -21.08 23.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.458 1.503 . . . . 0.0 113.314 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -113.7 -171.21 1.85 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.547 1.539 . . . . 0.0 111.266 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -116.98 75.53 7.59 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 124.244 1.018 . . . . 0.0 111.092 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.09 177.78 7.36 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 124.09 3.193 . . . . 0.0 112.556 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -54.16 152.03 11.88 Favored Pre-proline 0 N--CA 1.478 0.958 0 C-N-CA 124.114 0.966 . . . . 0.0 112.577 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.74 -9.0 25.03 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.857 3.038 . . . . 0.0 114.516 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -148.53 114.77 0.7 Allowed Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.333 1.444 . . . . 0.0 111.044 172.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.54 -45.54 83.29 Favored Pre-proline 0 CA--C 1.556 1.202 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo . . . . . 0 C--O 1.253 1.257 0 C-N-CA 122.824 2.349 . . . . 0.0 112.995 176.015 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 9.4 m120 . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 28.4 p -140.85 155.74 46.28 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.84 1.256 . . . . 0.0 112.41 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 130.47 98.95 0.83 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 125.004 1.287 . . . . 0.0 111.551 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -56.05 136.21 52.36 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 117.632 0.716 . . . . 0.0 111.653 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 15.7 tptt -134.22 -172.92 3.12 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.079 1.752 . . . . 0.0 110.644 -177.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -51.67 124.16 25.62 Favored Pre-proline 0 CA--C 1.546 0.806 0 CA-C-O 118.74 -0.648 . . . . 0.0 110.994 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.24 131.67 24.04 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 122.261 1.974 . . . . 0.0 110.92 -173.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.45 123.14 10.18 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 122.509 2.139 . . . . 0.0 110.461 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 75.4 m -148.22 90.97 1.86 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.188 1.395 . . . . 0.0 109.472 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 65.6 t80 -87.66 -87.74 0.15 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.662 0.785 . . . . 0.0 109.701 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.63 -41.87 74.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.336 1.055 . . . . 0.0 111.756 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.56 -13.74 61.42 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.6 t -94.14 -44.81 7.82 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.873 0.869 . . . . 0.0 112.008 169.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 16.3 pt -82.92 -18.3 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -171.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 43.3 mtpt . . . . . 0 C--O 1.252 1.186 0 CA-C-N 119.732 1.151 . . . . 0.0 112.519 169.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 118.329 -0.843 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 7.2 m -43.5 -33.24 1.06 Allowed 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 119.051 2.982 . . . . 0.0 119.051 -159.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.79 19.59 2.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.71 1.204 . . . . 0.0 113.671 174.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.6 mp -128.04 -80.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.6 1.16 . . . . 0.0 109.919 -173.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 48.17 31.15 2.43 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 126.399 1.88 . . . . 0.0 114.731 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -83.47 -176.01 6.1 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.29 1.436 . . . . 0.0 112.556 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -68.3 -171.04 6.12 Favored Glycine 0 CA--C 1.547 2.058 0 C-N-CA 125.529 1.538 . . . . 0.0 115.113 173.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.99 155.91 65.52 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.755 2.97 . . . . 0.0 113.175 -176.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.83 153.45 91.17 Favored Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 124.101 0.96 . . . . 0.0 113.204 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.57 153.8 75.33 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 123.498 2.798 . . . . 0.0 113.75 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.01 112.62 3.34 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.964 3.11 . . . . 0.0 113.058 -168.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.37 25.13 71.14 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.882 0.753 . . . . 0.0 114.792 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -117.93 160.04 22.11 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.207 1.803 . . . . 0.0 111.214 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -127.32 153.01 46.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.392 1.877 . . . . 0.0 109.036 168.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.4 mp -141.93 131.95 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.313 1.445 . . . . 0.0 108.499 -174.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -132.88 153.94 50.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.821 0.848 . . . . 0.0 111.755 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -119.49 99.96 6.99 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.373 1.869 . . . . 0.0 108.566 -175.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 48.4 p -75.63 153.36 37.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.302 0.641 . . . . 0.0 111.555 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.14 -13.53 37.95 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.89 -9.0 56.88 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.365 1.066 . . . . 0.0 113.84 170.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.05 35.33 9.86 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.234 0.921 . . . . 0.0 112.425 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -131.21 119.43 21.83 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.664 1.186 . . . . 0.0 111.215 -171.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -82.63 136.17 34.86 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.636 1.574 . . . . 0.0 110.674 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.52 155.4 50.56 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.371 1.469 . . . . 0.0 110.578 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -115.02 148.58 38.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.267 1.427 . . . . 0.0 110.45 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.29 124.53 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 126.582 1.953 . . . . 0.0 109.153 -170.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -106.77 120.53 42.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.801 1.24 . . . . 0.0 110.211 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -83.19 -11.27 58.02 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -75.66 -32.02 60.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.57 1.148 . . . . 0.0 112.552 -176.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 55.1 p -135.52 9.61 3.41 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.612 1.565 . . . . 0.0 113.636 177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 69.13 3.65 4.18 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.553 2.341 . . . . 0.0 114.524 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -68.33 163.72 22.4 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.871 1.668 . . . . 0.0 113.597 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 14.3 p -147.34 157.15 43.47 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.611 1.564 . . . . 0.0 111.87 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 6.5 t -159.4 158.5 32.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.202 1.001 . . . . 0.0 112.26 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -89.76 -11.93 40.8 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.654 1.582 . . . . 0.0 113.28 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -129.18 -169.38 2.08 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.12 1.368 . . . . 0.0 111.799 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -118.56 72.03 10.18 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.131 0.972 . . . . 0.0 111.072 -177.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.88 174.17 12.78 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.145 3.23 . . . . 0.0 112.491 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -56.83 148.89 46.03 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.299 1.039 . . . . 0.0 112.221 172.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.12 169.05 18.98 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.613 2.875 . . . . 0.0 112.931 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -137.65 -57.47 0.05 OUTLIER Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.316 0.96 . . . . 0.0 113.848 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -152.45 61.22 3.83 Favored Pre-proline 0 CA--C 1.557 1.22 0 C-N-CA 124.238 1.015 . . . . 0.0 113.365 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo . . . . . 0 C--O 1.252 1.189 0 C-N-CA 123.491 2.794 . . . . 0.0 112.9 174.307 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 6.7 m120 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 27.9 p -144.61 165.87 26.79 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.814 1.645 . . . . 0.0 111.753 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 98.28 47.87 1.95 Allowed Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.054 0.835 . . . . 0.0 113.944 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -40.77 115.63 0.6 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.404 1.882 . . . . 0.0 114.423 -172.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 43.1 tptt -120.85 -6.92 9.57 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.202 1.401 . . . . 0.0 113.709 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -131.62 98.62 17.85 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 125.709 1.604 . . . . 0.0 109.776 -170.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.7 121.61 8.69 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.45 2.1 . . . . 0.0 111.065 -177.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.22 119.92 6.46 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.577 2.184 . . . . 0.0 111.135 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 68.1 m -144.21 93.53 2.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.16 1.384 . . . . 0.0 109.898 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 71.9 t80 -90.07 -87.77 0.18 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.955 0.902 . . . . 0.0 109.462 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.23 -36.8 76.09 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.114 -0.991 . . . . 0.0 112.292 173.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.97 -13.51 57.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 41.8 t -98.81 -41.59 7.57 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.392 1.077 . . . . 0.0 112.162 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.7 pt -85.83 -18.74 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -172.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 51.2 mtpt . . . . . 0 C--O 1.252 1.223 0 CA-C-N 119.731 1.15 . . . . 0.0 112.639 172.629 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 118.488 -0.768 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 12.8 m -49.86 -29.74 8.67 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -158.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.61 17.64 5.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.901 1.28 . . . . 0.0 113.724 175.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.0 -16.86 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.876 1.671 . . . . 0.0 111.408 -174.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -116.17 10.63 14.98 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.377 1.471 . . . . 0.0 113.021 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -74.8 -175.55 2.54 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.744 1.618 . . . . 0.0 113.443 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -65.16 179.98 8.25 Favored Glycine 0 CA--C 1.548 2.115 0 C-N-CA 125.617 1.579 . . . . 0.0 115.68 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -68.13 151.35 77.22 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.108 3.205 . . . . 0.0 113.355 -173.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.55 155.83 75.97 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 123.954 0.902 . . . . 0.0 113.204 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.12 156.42 65.87 Favored 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.833 3.022 . . . . 0.0 113.653 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.41 114.03 3.88 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 124.047 3.165 . . . . 0.0 113.047 -170.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.73 26.18 73.0 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 114.946 0.739 . . . . 0.0 114.946 175.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -121.12 162.34 20.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.479 1.911 . . . . 0.0 111.284 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -131.5 151.02 51.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.219 1.808 . . . . 0.0 109.447 172.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -143.0 124.39 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.162 1.385 . . . . 0.0 108.603 -167.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -131.76 160.13 36.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.317 1.047 . . . . 0.0 111.323 -172.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -134.55 98.88 4.19 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.518 1.527 . . . . 0.0 109.18 -170.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 60.5 p -73.08 156.25 38.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.363 0.665 . . . . 0.0 112.212 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.45 -19.64 49.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -64.4 -13.11 49.29 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 169.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.57 38.09 6.74 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.508 1.051 . . . . 0.0 113.216 -178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -134.64 135.46 42.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.872 1.269 . . . . 0.0 111.74 -172.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -86.96 142.72 27.77 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.54 1.136 . . . . 0.0 111.101 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.29 157.24 47.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.035 1.734 . . . . 0.0 110.683 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -120.59 147.78 44.75 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.56 1.144 . . . . 0.0 110.53 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.1 t -137.81 127.06 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 126.126 1.77 . . . . 0.0 109.479 -166.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -111.62 114.08 26.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.87 1.268 . . . . 0.0 110.097 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -75.91 -15.86 60.12 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -74.1 -32.33 63.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.868 1.267 . . . . 0.0 112.984 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 46.8 p -132.68 7.76 4.13 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.598 1.559 . . . . 0.0 113.571 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 66.92 6.61 4.76 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 127.639 2.376 . . . . 0.0 114.824 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.6 163.09 26.27 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.453 1.101 . . . . 0.0 113.316 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 56.6 p -144.22 159.85 41.97 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.244 1.818 . . . . 0.0 110.605 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 9.2 t -158.54 161.86 37.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.687 0.795 . . . . 0.0 112.972 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -89.02 -8.36 54.18 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.548 1.939 . . . . 0.0 113.383 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -143.6 -167.13 2.5 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.982 1.713 . . . . 0.0 111.736 -172.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -116.88 73.31 6.23 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.681 1.192 . . . . 0.0 111.691 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.38 -176.91 3.18 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 124.291 3.327 . . . . 0.0 112.021 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -54.83 149.48 22.66 Favored Pre-proline 0 N--CA 1.477 0.924 0 O-C-N 121.315 -0.866 . . . . 0.0 112.707 171.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.92 -21.58 24.34 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.688 2.925 . . . . 0.0 113.927 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 129.19 -44.55 1.21 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.74 1.638 . . . . 0.0 113.128 172.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . 0.483 ' H ' ' HD2' ' A' ' 557' ' ' PRO . . . -159.44 -46.99 0.01 OUTLIER Pre-proline 0 CA--C 1.556 1.181 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 177.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . 0.483 ' HD2' ' H ' ' A' ' 556' ' ' ALA . 58.8 Cg_endo . . . . . 0 C--O 1.253 1.239 0 C-N-CA 122.536 2.157 . . . . 0.0 113.68 -175.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.66 0.267 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 20.3 p -146.78 157.51 43.69 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.99 1.716 . . . . 0.0 110.77 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 64.66 -121.19 21.54 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 123.445 0.545 . . . . 0.0 112.014 -174.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -54.59 155.0 4.36 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.654 1.181 . . . . 0.0 113.606 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.43 -168.21 2.84 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.231 1.813 . . . . 0.0 110.93 -174.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -54.69 120.26 26.64 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 118.743 0.702 . . . . 0.0 110.669 168.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.58 126.11 10.61 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.473 2.115 . . . . 0.0 111.142 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.14 120.88 7.34 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.659 2.239 . . . . 0.0 110.62 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 32.2 m -150.87 79.41 1.32 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.683 1.193 . . . . 0.0 110.88 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 61.9 t80 -81.89 -91.6 0.07 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.751 0.82 . . . . 0.0 110.606 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.08 -26.88 65.02 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.591 1.157 . . . . 0.0 112.6 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.66 -19.77 66.04 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.673 1.189 . . . . 0.0 113.909 174.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.1 t -106.75 -42.95 4.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.692 1.197 . . . . 0.0 112.238 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.6 pt -81.88 18.93 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 30.6 mmmt . . . . . 0 C--O 1.254 1.324 0 C-N-CA 126.905 2.082 . . . . 0.0 113.747 177.159 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.497 1.902 0 CA-C-O 118.429 -0.796 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 4.8 m -47.81 -29.65 3.36 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 118.989 2.959 . . . . 0.0 118.989 -160.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.57 18.23 4.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.825 1.25 . . . . 0.0 113.671 174.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.7 mp -125.01 -19.41 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 126.082 1.753 . . . . 0.0 111.437 -173.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -134.13 71.42 1.45 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.478 1.911 . . . . 0.0 109.73 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.91 155.99 32.48 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.389 1.076 . . . . 0.0 112.923 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 88.75 176.81 46.79 Favored Glycine 0 CA--C 1.544 1.851 0 C-N-CA 124.734 1.159 . . . . 0.0 114.576 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.07 156.81 55.39 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.914 3.076 . . . . 0.0 112.555 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.29 154.97 91.89 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 123.562 0.745 . . . . 0.0 112.617 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.07 154.93 71.38 Favored 'Trans proline' 0 CA--C 1.55 1.289 0 C-N-CA 123.471 2.78 . . . . 0.0 113.625 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.53 110.99 3.01 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.001 3.134 . . . . 0.0 113.132 -168.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.61 24.86 72.72 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 123.827 0.727 . . . . 0.0 114.816 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -115.61 162.83 16.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.193 1.797 . . . . 0.0 111.334 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -131.8 150.5 52.13 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.831 1.652 . . . . 0.0 109.488 171.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.2 mp -141.78 123.45 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.473 1.509 . . . . 0.0 108.514 -168.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -131.38 159.17 38.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.285 1.034 . . . . 0.0 111.216 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -134.97 94.23 3.12 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.39 1.476 . . . . 0.0 109.177 -168.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 68.5 p -68.3 154.3 42.03 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.838 -0.539 . . . . 0.0 112.211 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.91 -16.87 32.95 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.84 -13.44 61.59 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 170.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 90.89 37.28 6.43 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.472 1.034 . . . . 0.0 113.196 -178.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -133.73 134.41 42.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.053 1.341 . . . . 0.0 111.477 -173.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -87.11 144.07 27.03 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.903 1.281 . . . . 0.0 111.321 173.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -137.83 158.32 44.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.301 1.84 . . . . 0.0 110.878 173.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -121.5 148.44 44.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.93 1.292 . . . . 0.0 110.268 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.27 130.73 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.439 1.896 . . . . 0.0 109.564 -167.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -121.78 88.29 2.91 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.303 1.441 . . . . 0.0 111.492 -172.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -56.04 -22.62 28.41 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.226 1.41 . . . . 0.0 114.462 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -64.29 -22.15 66.85 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.594 1.158 . . . . 0.0 113.547 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 13.8 t -149.96 17.56 0.87 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.759 1.224 . . . . 0.0 113.144 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 58.8 14.85 3.44 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 127.301 2.241 . . . . 0.0 115.581 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -80.1 167.3 20.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.366 1.067 . . . . 0.0 113.165 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 44.4 p -144.98 161.82 38.42 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.03 1.732 . . . . 0.0 111.531 178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.5 t -159.54 163.06 35.48 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.289 1.036 . . . . 0.0 112.2 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -87.19 -12.8 45.78 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.217 1.807 . . . . 0.0 113.388 -176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -150.21 -163.05 1.68 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.052 1.741 . . . . 0.0 111.299 -172.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -119.14 74.09 13.89 Favored Pre-proline 0 CA--C 1.548 0.889 0 O-C-N 120.86 -1.15 . . . . 0.0 111.447 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.17 166.17 30.71 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.637 2.891 . . . . 0.0 112.5 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -62.27 153.26 76.17 Favored Pre-proline 0 N--CA 1.477 0.909 0 C-N-CA 123.916 0.886 . . . . 0.0 113.37 175.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.32 163.49 38.93 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.641 2.894 . . . . 0.0 112.435 173.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 127.51 -25.69 5.04 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.667 1.603 . . . . 0.0 113.369 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.91 158.17 63.56 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 125.296 1.439 . . . . 0.0 112.268 170.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 123.634 2.889 . . . . 0.0 113.164 178.258 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 17.3 p -144.46 148.05 34.08 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.951 1.3 . . . . 0.0 111.645 176.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 161.56 147.28 4.92 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.201 1.381 . . . . 0.0 112.493 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -163.2 145.07 9.89 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.509 1.524 . . . . 0.0 110.778 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 9.6 tptm -145.38 -2.05 0.79 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -142.55 146.2 37.64 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.927 1.691 . . . . 0.0 109.282 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -72.8 121.4 7.33 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 122.453 2.102 . . . . 0.0 110.767 175.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -72.28 123.96 9.58 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.596 2.197 . . . . 0.0 110.819 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.5 m -148.78 93.98 2.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.656 1.182 . . . . 0.0 110.596 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 68.3 t80 -90.02 -92.04 0.13 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.83 0.852 . . . . 0.0 110.076 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.52 -31.8 66.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.559 1.144 . . . . 0.0 112.173 172.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.38 -23.05 66.6 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.554 1.142 . . . . 0.0 113.873 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 35.6 t -99.21 -38.17 9.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.64 1.176 . . . . 0.0 112.593 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 11.0 pt -85.39 21.98 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -174.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.129 0 C-N-CA 126.074 1.749 . . . . 0.0 113.114 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 4.8 m -55.23 -22.18 16.98 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 118.809 2.892 . . . . 0.0 118.809 -158.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.38 15.99 4.51 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.098 1.359 . . . . 0.0 113.332 174.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.64 -25.6 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.493 1.517 . . . . 0.0 111.499 -173.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -101.92 7.21 41.55 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.071 1.349 . . . . 0.0 113.034 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -81.67 -173.31 4.35 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.453 1.901 . . . . 0.0 113.048 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -65.34 177.43 11.88 Favored Glycine 0 CA--C 1.547 2.086 0 C-N-CA 125.127 1.346 . . . . 0.0 115.44 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -68.16 151.3 77.12 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.961 3.107 . . . . 0.0 113.088 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.23 155.19 84.3 Favored Pre-proline 0 CA--C 1.555 1.151 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.17 156.89 64.09 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 C-N-CA 123.823 3.015 . . . . 0.0 113.572 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.8 115.16 4.19 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.909 3.072 . . . . 0.0 112.888 -171.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 63.73 29.56 75.1 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 123.793 0.711 . . . . 0.0 114.86 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -122.85 159.53 27.97 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.169 1.788 . . . . 0.0 111.142 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -126.66 147.49 49.92 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.566 1.546 . . . . 0.0 109.244 171.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.2 mp -141.06 128.43 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.821 1.248 . . . . 0.0 108.656 -170.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.11 161.17 35.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.673 1.189 . . . . 0.0 111.545 -172.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -132.7 106.48 7.79 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.999 1.719 . . . . 0.0 108.93 -173.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 80.7 p -74.67 159.65 31.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.301 0.641 . . . . 0.0 112.548 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.57 -17.17 53.86 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -69.95 -10.96 60.41 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 170.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.09 25.39 44.77 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.23 0.919 . . . . 0.0 113.243 -173.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -118.34 129.27 55.34 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.125 1.37 . . . . 0.0 110.515 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -90.25 145.57 24.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.649 1.58 . . . . 0.0 111.247 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -141.75 157.63 44.8 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.611 1.565 . . . . 0.0 111.119 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -117.53 147.75 42.5 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.942 1.297 . . . . 0.0 110.434 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 56.5 t -132.84 115.98 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 126.872 2.069 . . . . 0.0 108.655 -170.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -91.63 85.92 5.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.409 1.083 . . . . 0.0 110.644 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -18.21 7.4 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -71.72 -28.09 63.44 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.453 1.501 . . . . 0.0 113.874 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 34.5 p -136.58 -2.51 2.18 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 70.91 8.31 6.49 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.828 2.451 . . . . 0.0 114.413 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -63.69 163.86 10.78 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.718 1.207 . . . . 0.0 112.692 170.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 22.7 p -141.45 160.7 39.6 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.985 1.714 . . . . 0.0 111.005 173.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.1 t -158.94 157.84 32.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.097 0.959 . . . . 0.0 111.732 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -77.5 -23.84 50.2 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.533 1.533 . . . . 0.0 112.849 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -140.64 -166.95 2.24 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.918 1.687 . . . . 0.0 111.636 -166.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -118.87 73.15 11.86 Favored Pre-proline 0 CA--C 1.549 0.93 0 O-C-N 120.941 -1.099 . . . . 0.0 111.401 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.23 175.86 9.96 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.972 3.115 . . . . 0.0 112.795 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -54.25 148.15 24.21 Favored Pre-proline 0 N--CA 1.479 1.0 0 C-N-CA 124.785 1.234 . . . . 0.0 113.036 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.54 157.97 57.3 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.496 2.797 . . . . 0.0 112.992 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 143.58 -34.39 1.71 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.304 1.43 . . . . 0.0 113.443 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . 35.78 58.8 2.96 Favored Pre-proline 0 CA--C 1.559 1.309 0 C-N-CA 127.312 2.245 . . . . 0.0 115.522 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 C--O 1.252 1.216 0 C-N-CA 123.994 3.13 . . . . 0.0 113.897 -178.861 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 33.5 m120 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.48 0.181 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 7.9 p -60.46 -44.77 95.53 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.321 1.448 . . . . 0.0 113.249 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 141.57 157.54 7.2 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.082 1.801 . . . . 0.0 112.923 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -158.13 148.97 20.73 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.75 1.22 . . . . 0.0 111.89 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 8.8 tptm -142.81 -2.02 1.07 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 173.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -142.12 147.77 45.54 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 126.234 1.813 . . . . 0.0 109.131 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -72.84 122.92 8.57 Favored 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 122.404 2.069 . . . . 0.0 110.727 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -70.96 128.64 15.19 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.38 2.053 . . . . 0.0 110.236 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 48.1 m -158.23 91.7 1.11 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.975 1.31 . . . . 0.0 109.657 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 49.6 t80 -91.82 -88.59 0.19 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.78 0.832 . . . . 0.0 109.664 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.93 -31.18 69.61 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.201 -0.937 . . . . 0.0 112.456 174.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.39 -14.29 62.89 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.5 t -100.13 -39.31 8.15 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.455 1.102 . . . . 0.0 112.147 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 9.8 pt -85.29 29.07 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -176.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.269 1.827 . . . . 0.0 113.386 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 118.448 -0.787 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 6.8 m -50.61 -25.84 4.65 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 118.419 2.748 . . . . 0.0 118.419 -159.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.85 17.6 5.16 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 125.134 1.374 . . . . 0.0 113.883 173.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.95 -20.19 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.143 1.777 . . . . 0.0 111.438 -174.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -126.95 50.32 1.98 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.058 1.343 . . . . 0.0 111.652 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.9 145.41 30.0 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.148 1.379 . . . . 0.0 113.37 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 91.05 175.01 43.92 Favored Glycine 0 CA--C 1.544 1.903 0 C-N-CA 125.116 1.341 . . . . 0.0 114.463 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -73.39 162.68 39.65 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.963 3.109 . . . . 0.0 112.522 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.31 155.44 42.56 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 123.925 0.89 . . . . 0.0 112.561 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.6 155.56 68.53 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 123.691 2.928 . . . . 0.0 113.604 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.95 114.8 4.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.922 3.081 . . . . 0.0 113.01 -170.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.78 25.32 71.74 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 123.807 0.718 . . . . 0.0 114.838 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -119.72 161.97 19.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.217 1.807 . . . . 0.0 111.059 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -130.84 151.38 51.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.972 1.709 . . . . 0.0 109.679 170.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -140.37 124.88 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.429 1.491 . . . . 0.0 109.131 -169.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -131.52 158.98 39.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.638 1.175 . . . . 0.0 111.013 -171.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -133.31 97.57 4.01 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.499 1.519 . . . . 0.0 109.093 -167.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 70.8 p -68.18 154.37 41.85 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.686 0.794 . . . . 0.0 112.542 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.37 -15.24 56.86 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -67.14 -12.26 59.51 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 168.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.79 26.64 24.1 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.864 1.221 . . . . 0.0 113.075 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -128.24 126.07 40.18 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.338 1.055 . . . . 0.0 111.543 -169.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -84.11 143.9 29.38 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.316 1.847 . . . . 0.0 111.7 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -142.23 162.92 34.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.357 1.463 . . . . 0.0 110.976 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -121.46 152.39 39.17 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.705 1.602 . . . . 0.0 110.582 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.5 126.08 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 126.55 1.94 . . . . 0.0 109.86 -168.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -108.3 93.5 4.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.561 1.144 . . . . 0.0 111.808 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -58.49 -20.24 44.0 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -69.67 -25.03 63.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.172 0.989 . . . . 0.0 113.557 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 49.9 p -139.44 -3.27 1.53 Allowed 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 11.9 ttp-105 70.1 6.64 5.86 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.671 2.389 . . . . 0.0 114.393 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -68.14 164.26 20.75 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.446 1.099 . . . . 0.0 113.081 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 38.7 p -144.13 159.52 42.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.325 1.85 . . . . 0.0 111.663 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 2.9 t -158.19 149.51 21.14 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.464 1.106 . . . . 0.0 112.223 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -79.97 -46.32 16.88 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.291 1.036 . . . . 0.0 112.225 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.94 -178.13 6.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.528 1.131 . . . . 0.0 111.918 174.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -113.63 79.13 4.11 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 125.482 1.513 . . . . 0.0 111.238 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -75.99 -171.47 1.07 Allowed 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 124.674 3.583 . . . . 0.0 112.528 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.43 146.86 3.13 Favored Pre-proline 0 N--CA 1.478 0.96 0 C-N-CA 125.356 1.462 . . . . 0.0 113.765 173.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.38 164.64 34.41 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.314 2.676 . . . . 0.0 113.217 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -95.04 -167.48 35.96 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.265 1.412 . . . . 0.0 113.65 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -59.27 151.63 57.42 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 124.12 0.968 . . . . 0.0 113.163 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 C--O 1.253 1.261 0 C-N-CA 123.959 3.106 . . . . 0.0 113.429 177.615 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.399 0.142 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 6.8 t -148.69 10.85 0.84 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 168.29 59.05 0.03 OUTLIER Glycine 0 CA--C 1.536 1.385 0 O-C-N 120.929 -1.107 . . . . 0.0 113.424 -173.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -141.66 90.72 2.31 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -171.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -81.67 -23.99 36.55 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.858 1.663 . . . . 0.0 113.511 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -130.21 136.72 29.44 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.215 1.406 . . . . 0.0 111.012 -178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.56 125.17 8.1 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 122.816 2.344 . . . . 0.0 111.311 177.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.53 127.97 14.69 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.637 2.225 . . . . 0.0 110.574 171.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 47.0 m -154.73 91.49 1.39 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.128 1.371 . . . . 0.0 110.225 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.71 -88.62 0.16 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.958 0.903 . . . . 0.0 110.392 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -62.71 -26.75 68.83 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.016 -1.053 . . . . 0.0 113.304 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.53 -7.19 36.12 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 173.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 46.5 t -112.95 -40.25 4.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.098 1.359 . . . . 0.0 112.617 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 13.6 pt -80.17 4.15 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.478 0.966 0 C-N-CA 126.08 1.752 . . . . 0.0 111.359 174.444 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 5.1 m -55.38 -23.41 24.27 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -158.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -131.72 17.46 4.75 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.195 1.398 . . . . 0.0 113.513 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 4.0 mp -125.45 -16.2 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.647 1.579 . . . . 0.0 111.511 -174.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.91 15.16 10.84 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.3 1.44 . . . . 0.0 113.101 -177.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.65 -178.82 2.35 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.611 1.565 . . . . 0.0 113.509 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -65.04 179.79 8.13 Favored Glycine 0 CA--C 1.547 2.05 0 C-N-CA 125.491 1.52 . . . . 0.0 115.592 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -67.52 151.53 79.69 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 124.027 3.151 . . . . 0.0 113.292 -173.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.69 154.68 92.95 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 123.829 0.852 . . . . 0.0 113.233 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.73 154.97 71.78 Favored 'Trans proline' 0 CA--C 1.549 1.271 0 C-N-CA 123.565 2.844 . . . . 0.0 113.451 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.88 115.08 4.16 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.923 3.082 . . . . 0.0 113.094 -169.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.71 29.42 75.08 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 114.809 0.684 . . . . 0.0 114.809 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -122.01 162.76 20.56 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.355 1.862 . . . . 0.0 111.676 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -130.37 150.61 51.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.814 1.646 . . . . 0.0 109.212 169.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.62 126.24 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.927 1.291 . . . . 0.0 108.939 -167.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -138.01 164.89 27.94 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.722 0.809 . . . . 0.0 113.155 -173.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -129.15 114.31 16.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.562 1.945 . . . . 0.0 108.723 -171.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 27.3 p -82.45 163.81 21.38 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.488 -0.758 . . . . 0.0 112.065 -177.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.26 -13.22 17.14 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -74.85 -9.51 58.62 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.4 1.08 . . . . 0.0 113.604 171.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.83 35.28 13.34 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.284 0.945 . . . . 0.0 113.176 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -132.99 142.37 48.8 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.047 1.339 . . . . 0.0 111.692 -172.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 34.4 ttp85 -102.03 142.89 32.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.13 1.372 . . . . 0.0 111.646 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -140.99 158.41 43.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.202 1.801 . . . . 0.0 110.757 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -117.09 148.3 41.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.67 1.188 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 93.8 t -133.33 116.85 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.916 2.087 . . . . 0.0 109.07 -169.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -95.43 85.3 4.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.201 1.401 . . . . 0.0 110.822 -175.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -19.19 5.04 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -69.17 -26.97 65.12 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.521 1.128 . . . . 0.0 113.307 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 67.9 p -142.92 3.59 1.42 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -173.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 2.2 mtm-85 67.41 4.7 3.88 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 127.1 2.16 . . . . 0.0 115.102 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -66.54 166.18 13.18 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.535 1.534 . . . . 0.0 112.87 175.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 19.3 p -146.0 160.42 41.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.877 1.671 . . . . 0.0 111.477 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.8 t -159.07 159.89 35.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.266 1.026 . . . . 0.0 112.152 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -80.49 -14.06 58.58 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.969 1.708 . . . . 0.0 113.648 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -149.84 -162.56 1.58 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.472 1.509 . . . . 0.0 111.943 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -120.15 74.81 21.87 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.665 1.186 . . . . 0.0 111.272 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.31 -177.38 3.49 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 124.278 3.319 . . . . 0.0 112.656 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -52.78 149.75 10.89 Favored Pre-proline 0 N--CA 1.48 1.058 0 C-N-CA 124.368 1.067 . . . . 0.0 112.906 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.06 167.39 23.66 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.554 2.836 . . . . 0.0 113.233 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -138.87 32.71 2.26 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.559 1.552 . . . . 0.0 113.464 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -143.25 153.27 59.42 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 126.009 1.724 . . . . 0.0 111.333 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 C--O 1.252 1.213 0 C-N-CA 124.043 3.162 . . . . 0.0 113.509 -179.82 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 74.0 p 38.98 44.25 0.85 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 127.011 2.125 . . . . 0.0 115.813 175.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -137.81 127.09 3.77 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.803 1.192 . . . . 0.0 111.491 -176.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -62.39 153.92 29.75 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.754 0.822 . . . . 0.0 112.001 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -138.94 169.47 17.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.067 1.747 . . . . 0.0 109.814 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -55.41 120.77 33.44 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 118.684 -0.674 . . . . 0.0 111.13 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.32 125.35 12.26 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.335 2.023 . . . . 0.0 110.815 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.68 119.62 6.55 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.552 2.168 . . . . 0.0 110.424 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.0 m -146.9 80.68 1.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.162 1.385 . . . . 0.0 109.64 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 40.7 t80 -85.5 -86.85 0.13 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.373 0.669 . . . . 0.0 109.829 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.42 -44.71 65.59 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.369 1.468 . . . . 0.0 112.13 173.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.98 -17.7 64.64 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.3 t -93.22 -42.85 9.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.87 0.868 . . . . 0.0 112.069 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 22.4 pt -78.81 -9.11 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.254 1.306 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 118.748 -0.644 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 5.2 m -49.18 -29.56 5.7 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 118.687 2.847 . . . . 0.0 118.687 -160.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.86 17.25 5.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.916 1.286 . . . . 0.0 114.017 173.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 1.2 mp -129.58 5.43 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 126.087 1.755 . . . . 0.0 111.248 -174.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.14 14.97 3.04 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.413 1.485 . . . . 0.0 112.778 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -77.99 -174.67 3.68 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.576 1.55 . . . . 0.0 112.866 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -62.4 170.73 11.74 Favored Glycine 0 CA--C 1.547 2.076 0 C-N-CA 124.923 1.249 . . . . 0.0 115.479 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.0 155.84 64.17 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 124.141 3.227 . . . . 0.0 113.215 -174.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.81 155.53 53.02 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 123.916 0.886 . . . . 0.0 112.962 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.98 157.05 63.38 Favored 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.877 3.052 . . . . 0.0 113.671 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -72.03 113.68 3.75 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.993 3.129 . . . . 0.0 113.089 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.52 27.07 72.18 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 123.81 0.719 . . . . 0.0 114.838 176.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -121.95 159.01 27.81 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.338 1.855 . . . . 0.0 111.131 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -127.0 151.52 48.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.43 1.892 . . . . 0.0 109.057 170.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -142.7 124.29 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.033 1.333 . . . . 0.0 108.502 -169.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.92 158.36 42.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.851 0.86 . . . . 0.0 111.957 -173.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -131.78 102.16 5.76 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.788 1.635 . . . . 0.0 108.582 -167.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 35.5 p -74.38 161.46 29.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.523 0.677 . . . . 0.0 112.27 -172.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.76 56.77 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -75.79 -8.86 57.9 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.419 1.088 . . . . 0.0 113.628 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 85.97 27.72 30.65 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.409 1.004 . . . . 0.0 113.481 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -117.85 120.4 37.8 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.529 1.132 . . . . 0.0 110.877 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -75.76 139.42 41.83 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.562 0.745 . . . . 0.0 110.619 169.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -136.27 161.04 36.88 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.771 1.628 . . . . 0.0 110.468 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -119.95 148.29 43.71 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.566 1.546 . . . . 0.0 109.981 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.82 123.33 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 126.509 1.924 . . . . 0.0 109.215 -168.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -101.72 118.46 36.98 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.755 1.222 . . . . 0.0 110.37 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -80.15 -16.03 55.79 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -71.84 -31.63 66.71 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.12 0.968 . . . . 0.0 113.13 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 12.6 t -145.18 22.92 1.52 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.394 1.478 . . . . 0.0 112.838 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 62.15 8.18 2.53 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 127.435 2.294 . . . . 0.0 115.98 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -69.85 163.52 25.7 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.373 1.469 . . . . 0.0 113.137 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 36.9 p -145.33 160.94 40.76 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.422 1.489 . . . . 0.0 111.912 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.5 t -160.15 157.89 29.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.395 1.078 . . . . 0.0 112.212 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -87.1 -11.92 48.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.846 1.658 . . . . 0.0 113.291 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -130.31 -168.25 1.94 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.17 1.388 . . . . 0.0 112.141 -175.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.43 71.93 19.05 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 124.437 1.095 . . . . 0.0 111.384 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -74.9 178.29 7.43 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 124.254 3.303 . . . . 0.0 112.535 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -55.68 151.48 22.11 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 124.121 0.968 . . . . 0.0 112.852 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.03 -28.59 23.76 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.37 2.713 . . . . 0.0 113.754 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 143.11 -49.36 0.73 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.944 1.259 . . . . 0.0 114.039 168.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -157.34 156.21 28.8 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 125.246 1.418 . . . . 0.0 111.89 -176.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo . . . . . 0 C--O 1.253 1.238 0 C-N-CA 123.974 3.116 . . . . 0.0 113.218 174.31 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 49.2 p -76.12 160.3 29.89 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.1 0.96 . . . . 0.0 112.56 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 167.94 -70.51 0.16 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.309 0.956 . . . . 0.0 112.596 172.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . 46.62 43.38 12.51 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.643 1.977 . . . . 0.0 114.361 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 23.8 tptp -70.3 -19.61 63.07 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.29 1.436 . . . . 0.0 113.553 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -126.48 111.12 23.19 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 126.085 1.754 . . . . 0.0 109.987 -171.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.84 122.44 8.5 Favored 'Trans proline' 0 CA--C 1.546 1.098 0 C-N-CA 122.519 2.146 . . . . 0.0 111.071 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.7 125.55 10.65 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.626 2.217 . . . . 0.0 111.284 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.3 m -149.39 95.75 2.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.145 1.378 . . . . 0.0 110.078 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -91.35 -85.11 0.24 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.606 0.763 . . . . 0.0 109.905 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.62 -40.99 93.91 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.291 -0.88 . . . . 0.0 111.62 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.81 -15.46 30.28 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 47.5 t -92.05 -49.72 6.07 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.968 0.907 . . . . 0.0 112.207 169.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 20.6 pt -75.27 -21.05 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.484 1.914 . . . . 0.0 112.054 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.169 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.75 156.42 66.06 Favored 'Trans proline' 0 CA--C 1.55 1.291 0 C-N-CA 123.813 3.009 . . . . 0.0 113.668 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -72.93 113.74 3.85 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.083 3.189 . . . . 0.0 113.16 -170.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 67.37 25.66 73.65 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 114.859 0.704 . . . . 0.0 114.859 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -120.38 161.59 20.92 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.296 1.838 . . . . 0.0 111.276 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -129.93 150.78 51.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.184 1.794 . . . . 0.0 109.245 171.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.9 mp -142.42 124.16 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 125.194 1.398 . . . . 0.0 108.643 -168.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -131.28 160.09 35.95 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.339 1.056 . . . . 0.0 111.709 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -132.3 109.33 9.81 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.878 1.671 . . . . 0.0 108.871 -171.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 70.4 p -81.16 160.5 24.36 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.347 0.659 . . . . 0.0 112.417 -175.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.12 -16.16 59.09 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.51 -11.59 60.07 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.738 1.215 . . . . 0.0 114.032 170.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 85.08 31.88 21.98 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.333 0.968 . . . . 0.0 113.329 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -127.93 156.1 43.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.289 1.435 . . . . 0.0 111.708 -176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -116.83 140.74 49.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.713 1.605 . . . . 0.0 110.753 -174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.99 155.78 46.95 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.258 1.423 . . . . 0.0 110.937 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -118.96 146.77 44.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.855 1.262 . . . . 0.0 110.166 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.97 123.12 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 126.248 1.819 . . . . 0.0 109.545 -168.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.72 104.06 13.8 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.119 1.367 . . . . 0.0 110.512 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -66.98 -19.57 65.74 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -71.02 -31.39 67.86 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.453 1.101 . . . . 0.0 113.382 -176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 49.6 p -133.5 4.11 3.64 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.543 1.537 . . . . 0.0 113.612 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.5 ttm105 62.35 14.28 6.71 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.585 2.354 . . . . 0.0 114.751 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -71.34 163.18 28.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.393 1.477 . . . . 0.0 112.982 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 27.2 p -147.75 153.1 38.81 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.812 1.645 . . . . 0.0 111.146 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.7 t -156.09 161.16 40.42 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.763 0.825 . . . . 0.0 112.663 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -83.96 -12.85 54.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.291 1.836 . . . . 0.0 113.64 -176.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 CA--C 1.547 0.862 0 C-N-CA 126.131 1.773 . . . . 0.0 111.505 -173.218 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo . . . . . 0 CA--C 1.544 1.004 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.72 121.85 8.31 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.497 2.131 . . . . 0.0 110.594 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 73.3 m -148.99 93.4 2.1 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.371 1.468 . . . . 0.0 109.773 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -87.7 -89.29 0.13 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.799 0.839 . . . . 0.0 109.81 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.95 -36.72 68.12 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.498 1.519 . . . . 0.0 112.238 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.9 -17.14 63.93 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.2 t -95.29 -38.97 10.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.232 1.013 . . . . 0.0 112.209 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 12.3 pt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -175.803 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.194 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.73 156.17 66.35 Favored 'Trans proline' 0 CA--C 1.549 1.269 0 C-N-CA 123.676 2.917 . . . . 0.0 113.584 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.88 112.79 3.48 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.026 3.151 . . . . 0.0 113.167 -169.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.21 23.49 71.53 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 123.911 0.767 . . . . 0.0 114.935 176.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -116.66 160.71 20.31 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.116 1.766 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -130.02 149.62 51.65 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.246 1.819 . . . . 0.0 109.019 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.2 mp -143.5 121.02 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.08 1.352 . . . . 0.0 108.315 -168.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -129.35 159.81 35.02 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.14 0.976 . . . . 0.0 111.542 -171.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -129.51 97.45 4.55 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.71 1.604 . . . . 0.0 108.971 -168.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 80.4 p -67.01 153.87 42.58 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.625 0.77 . . . . 0.0 112.01 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.37 -14.47 50.48 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.97 -12.86 58.0 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.768 1.227 . . . . 0.0 113.884 167.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 88.48 31.31 13.72 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.801 1.191 . . . . 0.0 112.938 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -131.16 129.34 41.64 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.535 1.134 . . . . 0.0 111.682 -169.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -86.34 142.19 28.67 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.015 1.326 . . . . 0.0 111.59 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -139.33 157.98 44.94 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.566 1.547 . . . . 0.0 110.568 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.29 151.0 33.6 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.443 1.497 . . . . 0.0 110.607 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.4 t -139.19 129.2 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 126.656 1.982 . . . . 0.0 108.949 -169.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -115.2 114.48 25.3 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.324 1.05 . . . . 0.0 110.368 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -74.86 -19.95 59.95 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -67.44 -29.44 68.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.04 0.936 . . . . 0.0 112.992 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 72.0 p -134.14 6.03 3.59 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.631 1.572 . . . . 0.0 113.66 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 65.85 2.63 2.24 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.226 2.61 . . . . 0.0 115.248 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 10.2 ptm85 -75.68 171.98 13.41 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.625 1.17 . . . . 0.0 113.858 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 48.2 p -143.85 163.62 32.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.571 1.548 . . . . 0.0 112.095 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.0 t -160.48 157.54 27.77 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.88 1.272 . . . . 0.0 111.568 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -82.73 -15.33 52.25 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.032 1.333 . . . . 0.0 113.333 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 CA--C 1.545 0.787 0 C-N-CA 124.877 1.271 . . . . 0.0 112.33 -172.655 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo . . . . . 0 CA--C 1.543 0.955 0 N-CA-C 110.634 -0.564 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.51 133.97 29.43 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.258 1.972 . . . . 0.0 110.146 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 39.5 m -158.73 84.3 0.82 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.961 1.304 . . . . 0.0 109.881 -177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 60.5 t80 -80.34 -88.94 0.07 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.52 0.728 . . . . 0.0 110.243 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.16 -32.09 70.72 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.046 -1.034 . . . . 0.0 112.595 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.59 -11.7 58.72 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 19.3 t -109.1 -30.4 8.07 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.628 1.171 . . . . 0.0 112.978 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.667 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.21 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.85 154.01 74.09 Favored 'Trans proline' 0 CA--C 1.549 1.246 0 C-N-CA 123.468 2.779 . . . . 0.0 113.662 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.47 112.02 3.25 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.937 3.091 . . . . 0.0 112.987 -169.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.81 26.61 72.21 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 123.705 0.669 . . . . 0.0 114.706 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -120.77 163.29 18.35 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.652 1.981 . . . . 0.0 111.309 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -137.8 149.09 46.08 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.148 1.779 . . . . 0.0 108.648 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -144.98 129.95 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 120.941 -1.1 . . . . 0.0 109.843 -168.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -124.76 153.01 43.08 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.024 1.33 . . . . 0.0 111.153 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -120.48 106.19 11.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.102 1.761 . . . . 0.0 108.195 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 74.2 p -74.3 156.78 36.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.792 0.837 . . . . 0.0 112.328 -176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.45 57.27 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.62 -12.33 61.2 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.682 1.193 . . . . 0.0 114.031 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.76 32.65 12.54 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.187 0.898 . . . . 0.0 113.231 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -135.96 144.48 45.43 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.095 1.358 . . . . 0.0 111.861 -173.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -103.53 143.24 32.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.645 1.178 . . . . 0.0 111.685 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -140.05 143.78 36.54 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.167 1.387 . . . . 0.0 110.902 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -98.98 149.99 22.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.285 1.034 . . . . 0.0 111.093 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 73.2 t -138.42 128.23 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.111 2.164 . . . . 0.0 108.939 -171.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -112.64 119.93 39.79 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.772 1.229 . . . . 0.0 110.256 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -82.37 -11.19 58.73 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -77.46 -32.47 54.48 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.597 1.159 . . . . 0.0 112.474 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 64.8 p -134.67 7.73 3.54 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.961 1.704 . . . . 0.0 113.455 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 67.4 7.71 5.75 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.521 2.329 . . . . 0.0 114.983 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -70.8 167.27 19.22 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.463 1.505 . . . . 0.0 113.458 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 28.2 p -145.44 159.53 42.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.341 1.856 . . . . 0.0 111.346 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -157.51 149.77 22.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.53 0.732 . . . . 0.0 112.532 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.73 -15.95 60.76 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.879 1.672 . . . . 0.0 113.2 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 127.051 2.141 . . . . 0.0 111.036 -174.776 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo . . . . . 0 CA--C 1.545 1.037 0 N-CA-C 110.907 -0.459 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.27 122.52 8.77 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.449 2.099 . . . . 0.0 110.51 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.3 m -148.94 77.77 1.38 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.137 1.375 . . . . 0.0 110.14 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 61.6 t80 -78.67 -89.59 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.624 0.77 . . . . 0.0 110.571 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.09 -29.27 69.65 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.727 -1.233 . . . . 0.0 112.661 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -70.65 -7.75 46.73 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 20.0 t -115.25 -36.61 4.3 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.564 1.145 . . . . 0.0 112.503 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 N--CA 1.481 1.112 0 C-N-CA 124.032 0.933 . . . . 0.0 113.48 178.222 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.557 1.219 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.93 158.71 55.83 Favored 'Trans proline' 0 CA--C 1.55 1.287 0 C-N-CA 124.049 3.166 . . . . 0.0 113.774 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -72.35 113.56 3.74 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.983 3.122 . . . . 0.0 113.178 -171.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 62.57 25.92 67.72 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 123.949 0.785 . . . . 0.0 114.97 176.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -116.55 157.71 24.82 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.42 1.888 . . . . 0.0 110.728 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -125.39 147.5 49.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.016 1.726 . . . . 0.0 109.068 170.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.1 mp -140.99 125.71 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.467 1.107 . . . . 0.0 108.244 -171.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -131.39 157.73 42.65 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.2 1.0 . . . . 0.0 111.154 -173.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -124.17 105.35 9.44 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.866 1.666 . . . . 0.0 108.651 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 67.4 p -65.76 145.72 55.65 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.376 0.67 . . . . 0.0 111.346 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.26 64.02 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.53 -15.3 63.49 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.06 1.344 . . . . 0.0 114.254 171.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 113.61 23.85 4.9 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.697 1.142 . . . . 0.0 115.82 168.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -135.21 142.14 45.97 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.442 1.621 . . . . 0.0 113.098 -173.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -88.63 143.5 26.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.719 1.608 . . . . 0.0 111.952 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -139.18 154.68 48.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.194 1.797 . . . . 0.0 110.488 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -114.2 146.22 40.66 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.455 1.102 . . . . 0.0 110.832 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 92.8 t -135.56 128.55 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.932 2.093 . . . . 0.0 109.359 -169.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -115.96 118.41 32.86 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.452 1.101 . . . . 0.0 109.984 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -78.46 -17.38 56.39 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -69.92 -31.76 69.7 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.871 1.268 . . . . 0.0 113.139 -174.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 28.2 p -131.18 8.07 4.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.993 1.317 . . . . 0.0 113.469 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 69.36 2.65 3.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.866 2.466 . . . . 0.0 115.141 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -69.81 169.27 13.37 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.27 1.428 . . . . 0.0 113.948 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 15.6 p -145.26 162.79 36.32 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.106 1.763 . . . . 0.0 111.593 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.5 t -160.4 156.93 26.91 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.014 0.926 . . . . 0.0 112.678 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -85.74 -16.94 37.3 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.885 1.674 . . . . 0.0 113.402 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 126.255 1.822 . . . . 0.0 110.757 -174.457 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo . . . . . 0 CA--C 1.544 0.983 0 N-CA-C 110.333 -0.68 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.53 124.13 10.49 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 122.085 1.857 . . . . 0.0 110.328 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.9 m -147.74 85.63 1.57 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.325 1.45 . . . . 0.0 109.326 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 75.0 t80 -82.66 -88.52 0.09 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.753 0.821 . . . . 0.0 109.306 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.54 -34.06 72.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.623 1.569 . . . . 0.0 112.242 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.2 -15.34 62.92 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 177.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.5 t -100.14 -40.57 7.52 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.193 0.997 . . . . 0.0 112.027 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -176.508 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.197 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.75 152.39 80.66 Favored 'Trans proline' 0 CA--C 1.548 1.221 0 C-N-CA 123.355 2.703 . . . . 0.0 113.629 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.04 111.72 2.94 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.967 3.111 . . . . 0.0 113.122 -166.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.84 22.52 72.08 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 123.955 0.788 . . . . 0.0 114.873 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -112.68 161.54 16.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.883 1.673 . . . . 0.0 111.516 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -129.85 149.64 51.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.297 1.839 . . . . 0.0 108.938 170.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.3 mp -143.03 122.66 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.151 1.38 . . . . 0.0 108.365 -169.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -130.6 160.26 34.72 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.079 0.952 . . . . 0.0 111.746 -171.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -130.39 110.45 11.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.945 1.698 . . . . 0.0 108.953 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 55.7 p -79.22 161.7 26.19 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.426 0.632 . . . . 0.0 112.034 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.99 -15.24 42.46 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.94 -10.75 60.26 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 170.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 86.25 34.17 12.95 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.338 0.97 . . . . 0.0 113.115 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -128.37 134.07 48.77 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.96 1.304 . . . . 0.0 111.353 -170.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -95.47 138.16 33.54 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.294 1.438 . . . . 0.0 110.836 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -137.55 155.22 49.48 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.607 1.563 . . . . 0.0 110.439 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -115.58 148.13 39.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.236 1.014 . . . . 0.0 110.526 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 99.6 t -137.24 128.12 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 126.653 1.981 . . . . 0.0 109.037 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -115.67 111.43 20.6 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.45 1.1 . . . . 0.0 110.484 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -71.32 -21.21 62.09 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -68.04 -29.91 69.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.963 0.905 . . . . 0.0 113.248 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 68.6 p -133.48 8.19 3.91 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.401 1.48 . . . . 0.0 113.522 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 63.79 2.99 1.44 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.174 2.589 . . . . 0.0 115.512 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -73.53 170.85 14.3 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.781 1.232 . . . . 0.0 113.652 -176.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 51.3 p -143.02 165.26 27.84 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.796 1.638 . . . . 0.0 111.516 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 4.9 t -160.28 157.4 28.01 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.126 0.971 . . . . 0.0 112.392 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -79.66 -12.44 59.82 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.31 1.844 . . . . 0.0 113.812 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 125.799 1.639 . . . . 0.0 111.506 -171.276 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo . . . . . 0 CA--C 1.544 1.001 0 N-CA-C 110.901 -0.461 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.24 128.29 14.5 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.42 2.08 . . . . 0.0 110.441 173.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 49.9 m -152.14 85.92 1.29 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.697 1.199 . . . . 0.0 110.139 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 55.6 t80 -81.71 -88.78 0.08 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.457 0.703 . . . . 0.0 110.214 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -60.96 -31.95 71.49 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.898 -1.126 . . . . 0.0 112.313 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.96 -4.82 18.18 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 40.2 t -114.31 -41.28 3.5 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.823 1.249 . . . . 0.0 111.974 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 -177.12 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.555 1.172 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.33 157.45 61.17 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.79 2.993 . . . . 0.0 113.752 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -72.11 112.68 3.48 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.028 3.152 . . . . 0.0 113.071 -170.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 64.92 27.61 72.4 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 114.858 0.703 . . . . 0.0 114.858 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -121.25 160.03 24.73 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.521 1.928 . . . . 0.0 111.135 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -128.2 150.76 49.88 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.034 1.734 . . . . 0.0 109.382 170.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -141.04 122.19 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.55 1.54 . . . . 0.0 108.422 -170.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.49 157.94 41.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.781 0.832 . . . . 0.0 111.581 -173.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -130.95 99.83 5.04 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.806 1.642 . . . . 0.0 108.846 -167.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 71.6 p -69.77 157.29 37.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.47 0.708 . . . . 0.0 112.559 -175.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.25 -13.39 27.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -73.76 -8.99 58.18 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.531 1.133 . . . . 0.0 113.78 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.81 30.63 25.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.059 0.838 . . . . 0.0 113.166 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -129.5 132.12 46.82 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.783 1.233 . . . . 0.0 111.471 -175.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 10.7 ttp85 -88.47 143.83 26.74 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.716 1.606 . . . . 0.0 111.265 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -139.22 157.01 46.67 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.888 1.675 . . . . 0.0 110.493 175.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -117.86 149.52 40.71 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.703 1.201 . . . . 0.0 110.346 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 90.2 t -135.21 125.62 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.449 1.9 . . . . 0.0 109.565 -168.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.55 100.32 9.59 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.087 1.355 . . . . 0.0 110.716 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -63.78 -18.87 64.52 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -71.45 -28.53 64.03 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.242 1.017 . . . . 0.0 113.235 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 62.3 p -133.56 4.94 3.68 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.144 1.378 . . . . 0.0 113.903 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 64.44 3.63 1.94 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.599 2.359 . . . . 0.0 114.632 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -72.78 168.34 19.01 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.17 1.388 . . . . 0.0 113.089 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 34.1 p -145.44 161.92 38.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.891 1.677 . . . . 0.0 111.363 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.8 t -158.81 160.1 35.86 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.904 0.882 . . . . 0.0 112.605 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -84.31 -11.29 56.64 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.387 1.875 . . . . 0.0 113.395 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 125.81 1.644 . . . . 0.0 111.642 -172.175 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo . . . . . 0 CA--C 1.544 1.0 0 N-CA-C 110.565 -0.59 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.31 129.71 17.47 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.329 2.019 . . . . 0.0 110.557 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 57.8 m -152.53 87.57 1.31 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.712 1.205 . . . . 0.0 109.687 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.5 t80 -82.65 -87.16 0.1 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.52 0.728 . . . . 0.0 109.943 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.73 -35.34 74.35 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.014 -1.054 . . . . 0.0 112.895 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.58 -7.13 35.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 34.7 t -105.45 -38.85 6.33 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.211 1.004 . . . . 0.0 112.748 169.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 7.1 pt . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -177.029 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.177 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.55 155.75 68.93 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 124.207 3.271 . . . . 0.0 113.745 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.26 112.92 3.55 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.879 3.053 . . . . 0.0 112.868 -171.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.24 27.46 73.0 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.866 0.706 . . . . 0.0 114.866 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -123.39 162.32 23.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.328 1.851 . . . . 0.0 111.425 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -135.15 148.48 49.75 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.066 2.146 . . . . 0.0 108.893 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -140.05 120.73 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.736 1.215 . . . . 0.0 109.109 -169.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -130.76 145.46 51.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.593 1.157 . . . . 0.0 110.089 -168.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -125.82 101.96 7.09 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.677 1.591 . . . . 0.0 108.901 -169.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 63.8 p -69.77 155.9 39.83 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.836 0.854 . . . . 0.0 112.24 -174.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.05 -12.78 28.79 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -77.99 -4.51 47.38 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.664 1.186 . . . . 0.0 113.715 171.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 86.62 30.98 19.95 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.316 0.96 . . . . 0.0 113.684 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -131.8 134.12 45.45 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.532 1.133 . . . . 0.0 111.76 -174.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -91.5 144.5 25.49 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.722 1.209 . . . . 0.0 111.403 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -137.66 160.45 39.17 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.349 1.46 . . . . 0.0 110.752 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.8 151.83 27.35 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.581 1.553 . . . . 0.0 110.592 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 96.2 t -135.19 123.61 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.954 1.702 . . . . 0.0 109.373 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.16 103.89 14.96 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.015 1.326 . . . . 0.0 110.616 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -65.3 -19.04 65.78 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -75.42 -31.96 60.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.311 1.044 . . . . 0.0 113.54 -174.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 53.2 p -130.49 6.37 4.81 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.446 1.498 . . . . 0.0 113.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 64.98 4.36 2.46 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 128.006 2.523 . . . . 0.0 114.974 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -74.62 168.17 20.31 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.377 1.471 . . . . 0.0 113.023 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 41.4 p -147.13 160.45 42.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.664 1.586 . . . . 0.0 111.488 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.2 t -159.77 158.83 31.89 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.255 1.022 . . . . 0.0 112.057 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -82.6 -19.74 37.83 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.955 1.302 . . . . 0.0 113.499 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 125.057 1.343 . . . . 0.0 112.638 -169.802 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.545 1.053 0 CA-C-O 119.352 -0.353 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.64 125.07 10.8 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.722 2.281 . . . . 0.0 110.979 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 50.7 m -149.2 94.17 2.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.077 1.351 . . . . 0.0 110.045 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 47.7 t80 -89.75 -91.49 0.13 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.814 0.846 . . . . 0.0 110.307 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.46 -29.61 66.32 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.02 -1.05 . . . . 0.0 113.101 171.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.62 -18.71 65.51 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.8 t -97.47 -43.37 7.29 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.444 1.097 . . . . 0.0 112.243 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 11.4 pt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -174.521 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.188 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.33 154.95 72.47 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 123.538 2.826 . . . . 0.0 113.559 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.94 114.46 3.9 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.929 3.086 . . . . 0.0 113.138 -168.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.27 29.84 76.27 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 123.78 0.705 . . . . 0.0 114.665 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -121.79 162.66 20.48 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.301 1.84 . . . . 0.0 111.708 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -131.42 150.04 52.3 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.891 1.676 . . . . 0.0 109.441 169.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -141.32 122.6 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.418 1.487 . . . . 0.0 108.061 -170.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -129.95 158.66 38.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.524 1.129 . . . . 0.0 110.959 -172.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -131.96 104.19 6.71 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.783 1.633 . . . . 0.0 108.58 -170.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 61.6 p -71.99 158.28 36.27 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.471 0.653 . . . . 0.0 111.968 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.73 60.61 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.78 -13.23 62.27 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 168.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 95.69 19.67 28.82 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.192 1.377 . . . . 0.0 113.873 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -117.44 129.92 56.14 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.62 1.21 . . . . 0.0 111.557 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -84.19 141.0 31.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.063 0.945 . . . . 0.0 111.229 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -138.92 160.18 40.37 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.707 1.603 . . . . 0.0 110.496 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -118.24 149.89 40.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.496 1.519 . . . . 0.0 110.192 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.52 124.98 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.866 1.666 . . . . 0.0 109.831 -174.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -99.18 106.87 19.09 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.21 1.404 . . . . 0.0 110.418 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -68.63 -20.59 64.48 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.85 -30.81 68.39 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.615 1.166 . . . . 0.0 113.164 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.3 p -134.7 5.8 3.42 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.722 1.609 . . . . 0.0 113.673 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 63.9 7.02 3.04 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.572 2.349 . . . . 0.0 115.461 -174.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -68.88 164.84 21.16 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.409 1.484 . . . . 0.0 113.373 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 12.3 p -146.24 157.03 43.79 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.975 1.71 . . . . 0.0 111.835 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 1.8 t -157.87 146.39 19.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.275 1.03 . . . . 0.0 111.399 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -74.22 -37.73 63.75 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.167 0.987 . . . . 0.0 112.494 173.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 125.671 1.588 . . . . 0.0 111.239 -178.912 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo . . . . . 0 CA--C 1.546 1.076 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.99 120.29 6.94 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.534 2.156 . . . . 0.0 110.508 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 69.0 m -147.89 89.13 1.72 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.937 1.295 . . . . 0.0 109.825 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 81.0 t80 -88.93 -86.31 0.18 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.85 0.86 . . . . 0.0 109.288 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.42 -34.58 75.63 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.35 1.46 . . . . 0.0 112.293 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -69.03 -16.59 63.74 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.704 1.202 . . . . 0.0 114.127 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.1 t -97.91 -41.4 8.03 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.085 0.954 . . . . 0.0 111.99 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.9 pt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 -177.416 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.144 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.92 154.85 71.81 Favored 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.594 2.863 . . . . 0.0 113.518 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -72.13 112.51 3.44 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.92 3.08 . . . . 0.0 113.043 -169.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.41 73.11 Favored Glycine 0 CA--C 1.538 1.523 0 N-CA-C 114.874 0.71 . . . . 0.0 114.874 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -124.71 160.76 27.85 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.28 1.832 . . . . 0.0 111.418 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -126.94 151.83 47.97 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.102 1.761 . . . . 0.0 109.293 168.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -141.26 122.62 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.364 1.466 . . . . 0.0 108.073 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.63 161.18 33.31 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.614 0.766 . . . . 0.0 111.433 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -129.75 102.94 6.55 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.434 1.494 . . . . 0.0 108.647 -172.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 42.4 p -69.22 145.27 53.33 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.619 -0.675 . . . . 0.0 111.033 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -58.17 -20.83 44.04 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -71.33 -10.08 59.18 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.293 1.437 . . . . 0.0 114.647 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 105.03 34.86 3.33 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 115.576 0.99 . . . . 0.0 115.576 170.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -137.86 153.44 49.58 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.925 1.363 . . . . 0.0 112.446 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -103.86 142.55 34.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.385 1.474 . . . . 0.0 110.973 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -138.85 159.52 41.92 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.127 1.771 . . . . 0.0 111.019 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -121.32 147.71 45.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.85 1.26 . . . . 0.0 110.551 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.22 124.2 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.364 1.866 . . . . 0.0 109.763 -167.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -105.17 105.8 16.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.33 1.452 . . . . 0.0 110.6 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -69.54 -17.63 63.59 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -72.11 -31.21 65.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.172 0.989 . . . . 0.0 113.012 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 59.8 p -135.96 7.58 3.2 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.71 1.604 . . . . 0.0 113.542 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 65.33 10.02 6.16 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.986 2.514 . . . . 0.0 114.968 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -75.24 166.45 23.6 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.106 1.362 . . . . 0.0 113.027 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 24.3 p -145.6 156.78 43.89 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.744 1.618 . . . . 0.0 111.297 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.4 t -157.15 161.83 39.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.69 0.796 . . . . 0.0 112.528 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.75 -13.41 51.34 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.305 1.842 . . . . 0.0 113.279 -175.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.547 0.848 0 C-N-CA 126.049 1.739 . . . . 0.0 111.537 -172.171 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.544 0.977 0 N-CA-C 111.208 -0.343 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.67 124.39 10.67 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.723 2.282 . . . . 0.0 110.779 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 74.2 m -147.82 83.23 1.52 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.188 1.395 . . . . 0.0 109.918 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 72.3 t80 -81.97 -87.86 0.09 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.431 0.692 . . . . 0.0 110.303 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.23 -37.64 80.96 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.01 -1.056 . . . . 0.0 112.355 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.81 -10.46 37.92 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 43.8 t -98.33 -42.55 7.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.255 1.022 . . . . 0.0 112.246 168.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 12.0 pt . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -173.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.555 1.158 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.89 152.23 80.81 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.507 2.805 . . . . 0.0 113.568 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.29 112.36 3.31 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.874 3.049 . . . . 0.0 113.037 -168.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 71.08 23.73 77.79 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 114.975 0.75 . . . . 0.0 114.975 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -120.21 162.81 18.75 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.959 1.704 . . . . 0.0 111.686 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -131.28 152.87 50.13 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.326 1.851 . . . . 0.0 109.363 170.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.7 mp -141.11 131.98 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.52 1.528 . . . . 0.0 108.7 -170.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -132.69 151.62 51.92 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.842 1.257 . . . . 0.0 110.761 -171.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -125.26 98.94 5.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.856 1.663 . . . . 0.0 108.98 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 53.8 p -75.79 157.01 33.98 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.319 0.647 . . . . 0.0 112.529 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.99 58.95 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -72.4 -9.24 58.27 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 170.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.38 29.12 22.97 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.525 1.06 . . . . 0.0 113.08 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -124.94 122.52 37.59 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.671 1.188 . . . . 0.0 111.114 -172.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -82.6 143.19 31.18 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.666 1.186 . . . . 0.0 111.237 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -140.51 162.61 34.95 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.219 1.408 . . . . 0.0 111.037 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -119.31 154.04 34.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.797 1.639 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 91.0 t -140.18 126.88 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 126.374 1.869 . . . . 0.0 109.518 -170.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -108.83 105.96 15.76 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.113 1.365 . . . . 0.0 110.652 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -69.16 -15.6 63.45 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -73.73 -30.45 62.83 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.202 -0.936 . . . . 0.0 113.029 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 50.1 p -136.22 3.08 2.84 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 125.328 1.451 . . . . 0.0 113.898 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 66.36 5.99 4.04 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.676 2.39 . . . . 0.0 115.156 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -65.93 161.91 20.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.766 1.626 . . . . 0.0 112.618 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 82.3 p -146.48 163.87 34.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.511 1.524 . . . . 0.0 111.205 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 8.6 t -161.67 161.54 29.54 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.884 0.874 . . . . 0.0 112.782 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -90.32 -9.29 48.32 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.496 1.918 . . . . 0.0 113.105 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 N--CA 1.476 0.845 0 C-N-CA 124.77 1.228 . . . . 0.0 112.89 -174.064 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 CA--C 1.547 1.136 0 CA-C-O 119.224 -0.407 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.72 122.24 8.04 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.865 2.377 . . . . 0.0 111.386 177.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.6 m -148.07 87.6 1.62 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.254 1.422 . . . . 0.0 110.214 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 63.6 t80 -88.78 -87.86 0.16 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.614 0.765 . . . . 0.0 110.476 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.21 -30.71 71.28 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.911 -1.118 . . . . 0.0 112.73 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.62 -7.69 41.04 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.7 t -105.65 -41.53 5.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.957 1.303 . . . . 0.0 112.337 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 30.6 pt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.195 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.68 156.83 64.19 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 C-N-CA 123.785 2.99 . . . . 0.0 113.629 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.13 113.76 3.78 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.016 3.144 . . . . 0.0 113.064 -170.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.01 26.75 71.57 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.852 0.701 . . . . 0.0 114.852 176.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -120.94 161.08 22.19 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.424 1.89 . . . . 0.0 111.029 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -130.51 151.2 51.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.165 1.786 . . . . 0.0 109.285 172.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -141.44 123.52 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 125.268 1.427 . . . . 0.0 108.509 -169.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -130.48 156.61 44.49 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.583 1.153 . . . . 0.0 110.993 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -128.44 93.07 3.55 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.308 1.443 . . . . 0.0 108.972 -169.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 25.9 p -66.18 145.25 56.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.075 0.95 . . . . 0.0 111.577 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -60.96 -14.72 24.54 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -176.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.07 -10.94 16.33 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.358 1.463 . . . . 0.0 114.65 167.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 90.39 38.33 6.31 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.57 1.081 . . . . 0.0 113.218 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -136.42 158.03 45.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.359 1.463 . . . . 0.0 111.26 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -112.9 139.86 48.19 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.201 1.401 . . . . 0.0 110.358 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -135.8 157.25 47.31 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.631 1.572 . . . . 0.0 110.405 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -116.95 149.8 39.58 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 125.258 1.423 . . . . 0.0 110.3 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 82.4 t -136.41 126.23 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 126.654 1.982 . . . . 0.0 108.783 -168.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -109.08 116.58 32.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.715 1.206 . . . . 0.0 109.965 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -78.05 -16.71 57.82 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -72.61 -33.88 66.98 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.829 1.252 . . . . 0.0 113.09 -173.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 52.9 p -132.62 10.09 4.33 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.723 1.609 . . . . 0.0 113.224 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 67.58 7.8 5.89 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.524 2.33 . . . . 0.0 114.768 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -67.05 163.95 18.89 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.49 1.516 . . . . 0.0 113.768 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 16.7 p -145.76 156.47 43.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.092 1.757 . . . . 0.0 111.509 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.7 t -158.52 156.29 29.97 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.141 0.977 . . . . 0.0 112.246 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -86.88 -17.25 33.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.319 1.447 . . . . 0.0 113.428 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.473 0.707 0 C-N-CA 124.997 1.319 . . . . 0.0 111.674 -176.284 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo . . . . . 0 CA--C 1.544 0.99 0 N-CA-C 110.463 -0.63 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.05 131.36 23.6 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.219 1.946 . . . . 0.0 110.156 172.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 35.1 m -159.25 74.09 0.62 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.127 1.371 . . . . 0.0 109.919 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.9 t80 -74.71 -83.0 0.06 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.261 0.624 . . . . 0.0 110.775 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -63.66 -37.13 86.18 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.179 -0.951 . . . . 0.0 112.449 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.82 -19.14 65.78 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 41.3 t -87.59 -42.32 12.8 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.611 0.764 . . . . 0.0 112.238 170.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -173.36 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.192 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.26 157.2 62.26 Favored 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 123.859 3.039 . . . . 0.0 113.839 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.45 114.89 4.13 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.997 3.132 . . . . 0.0 113.128 -170.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 64.52 26.19 70.66 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 114.912 0.725 . . . . 0.0 114.912 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -120.14 159.91 23.92 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.254 1.822 . . . . 0.0 111.018 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -129.18 150.05 50.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.271 1.828 . . . . 0.0 108.85 170.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -144.03 126.21 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.868 1.267 . . . . 0.0 108.69 -169.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -133.66 161.58 34.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.798 0.839 . . . . 0.0 112.484 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -131.06 98.32 4.55 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.046 1.738 . . . . 0.0 109.054 -167.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 68.2 p -74.57 152.54 39.28 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.583 -0.698 . . . . 0.0 111.603 -177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.14 -17.33 25.96 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.45 -12.16 55.78 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 170.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.64 38.69 6.49 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.254 0.93 . . . . 0.0 113.306 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -133.75 146.83 51.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.323 1.449 . . . . 0.0 111.027 -174.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.09 140.37 41.38 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.853 1.261 . . . . 0.0 110.851 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.06 152.37 49.98 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.392 1.477 . . . . 0.0 110.756 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -114.16 148.2 37.64 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.61 1.164 . . . . 0.0 110.5 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.86 124.88 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 126.601 1.96 . . . . 0.0 109.297 -170.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -106.45 119.41 39.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.941 1.296 . . . . 0.0 110.291 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -79.16 -15.66 57.77 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -73.59 -32.13 63.95 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.559 1.144 . . . . 0.0 112.99 -175.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 54.6 p -133.85 9.62 3.89 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.483 1.513 . . . . 0.0 113.578 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 64.86 11.14 6.7 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.242 2.217 . . . . 0.0 114.463 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -72.4 166.13 23.18 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.139 1.776 . . . . 0.0 113.814 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 41.2 p -145.93 163.01 36.47 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.661 1.585 . . . . 0.0 111.592 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.2 t -161.69 160.96 29.23 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.181 0.993 . . . . 0.0 112.345 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -82.92 -14.33 54.36 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.274 1.83 . . . . 0.0 113.542 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 125.936 1.694 . . . . 0.0 111.395 -172.775 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 CA--C 1.543 0.964 0 N-CA-C 110.908 -0.458 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.99 119.07 6.05 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.275 1.983 . . . . 0.0 110.675 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 71.0 m -146.13 87.19 1.73 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.548 1.539 . . . . 0.0 109.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -83.24 -86.47 0.11 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.531 0.733 . . . . 0.0 109.724 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.19 -37.24 79.64 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.295 -0.878 . . . . 0.0 112.411 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.85 -20.12 63.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.5 t -91.59 -44.55 8.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.069 0.948 . . . . 0.0 112.133 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.2 pt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -171.909 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.202 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.14 156.48 64.85 Favored 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 124.238 3.292 . . . . 0.0 113.734 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -72.27 113.76 3.79 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.931 3.087 . . . . 0.0 112.862 -172.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.07 27.24 72.05 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -123.89 162.89 22.4 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.651 1.98 . . . . 0.0 111.049 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -131.22 154.69 48.17 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.273 1.829 . . . . 0.0 109.876 171.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.17 127.94 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.918 1.687 . . . . 0.0 108.433 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -131.71 155.6 47.39 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.522 1.129 . . . . 0.0 110.507 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -130.84 109.59 10.68 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.405 1.482 . . . . 0.0 108.012 -174.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 43.5 p -69.49 154.84 41.4 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.296 0.57 . . . . 0.0 111.528 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.48 33.47 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -79.96 -8.93 59.6 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.004 1.322 . . . . 0.0 113.597 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 99.43 24.55 10.08 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.524 1.059 . . . . 0.0 115.029 172.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -127.17 136.91 52.72 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.189 1.495 . . . . 0.0 112.515 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.24 141.7 28.45 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.671 1.189 . . . . 0.0 111.192 177.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -139.04 159.53 41.92 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.389 1.475 . . . . 0.0 110.744 172.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -108.4 152.26 24.91 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.997 1.319 . . . . 0.0 110.812 174.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 95.9 t -134.69 126.01 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 126.207 1.803 . . . . 0.0 109.164 -173.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -108.04 116.59 32.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.786 1.235 . . . . 0.0 109.883 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -79.87 -14.96 58.26 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -74.4 -32.92 62.87 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.243 1.417 . . . . 0.0 112.692 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 71.1 p -132.33 8.28 4.3 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.998 1.719 . . . . 0.0 113.233 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 68.99 4.07 4.34 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.863 2.465 . . . . 0.0 114.906 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -71.78 165.79 23.34 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.286 1.435 . . . . 0.0 113.199 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 20.8 p -145.84 157.41 43.92 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.8 1.64 . . . . 0.0 111.384 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 9.7 t -158.13 155.75 29.69 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.744 0.818 . . . . 0.0 112.398 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -89.36 -21.08 23.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.458 1.503 . . . . 0.0 113.314 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 125.547 1.539 . . . . 0.0 111.266 -179.801 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 CA--C 1.542 0.924 0 N-CA-C 110.92 -0.454 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.45 123.14 10.18 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 122.509 2.139 . . . . 0.0 110.461 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 75.4 m -148.22 90.97 1.86 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.188 1.395 . . . . 0.0 109.472 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 65.6 t80 -87.66 -87.74 0.15 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.662 0.785 . . . . 0.0 109.701 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.63 -41.87 74.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.336 1.055 . . . . 0.0 111.756 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.56 -13.74 61.42 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.6 t -94.14 -44.81 7.82 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.873 0.869 . . . . 0.0 112.008 169.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -171.778 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.557 1.226 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.57 153.8 75.33 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 123.498 2.798 . . . . 0.0 113.75 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.01 112.62 3.34 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.964 3.11 . . . . 0.0 113.058 -168.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.37 25.13 71.14 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.882 0.753 . . . . 0.0 114.792 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -117.93 160.04 22.11 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.207 1.803 . . . . 0.0 111.214 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -127.32 153.01 46.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.392 1.877 . . . . 0.0 109.036 168.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.4 mp -141.93 131.95 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.313 1.445 . . . . 0.0 108.499 -174.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -132.88 153.94 50.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.821 0.848 . . . . 0.0 111.755 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -119.49 99.96 6.99 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.373 1.869 . . . . 0.0 108.566 -175.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 48.4 p -75.63 153.36 37.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.302 0.641 . . . . 0.0 111.555 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.14 -13.53 37.95 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.89 -9.0 56.88 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.365 1.066 . . . . 0.0 113.84 170.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.05 35.33 9.86 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.234 0.921 . . . . 0.0 112.425 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -131.21 119.43 21.83 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.664 1.186 . . . . 0.0 111.215 -171.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -82.63 136.17 34.86 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.636 1.574 . . . . 0.0 110.674 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.52 155.4 50.56 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.371 1.469 . . . . 0.0 110.578 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -115.02 148.58 38.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.267 1.427 . . . . 0.0 110.45 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.29 124.53 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 126.582 1.953 . . . . 0.0 109.153 -170.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -106.77 120.53 42.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.801 1.24 . . . . 0.0 110.211 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -83.19 -11.27 58.02 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -75.66 -32.02 60.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.57 1.148 . . . . 0.0 112.552 -176.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 55.1 p -135.52 9.61 3.41 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.612 1.565 . . . . 0.0 113.636 177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 69.13 3.65 4.18 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.553 2.341 . . . . 0.0 114.524 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -68.33 163.72 22.4 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.871 1.668 . . . . 0.0 113.597 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 14.3 p -147.34 157.15 43.47 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.611 1.564 . . . . 0.0 111.87 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 6.5 t -159.4 158.5 32.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.202 1.001 . . . . 0.0 112.26 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -89.76 -11.93 40.8 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.654 1.582 . . . . 0.0 113.28 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 125.12 1.368 . . . . 0.0 111.799 -176.043 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 CA--C 1.546 1.08 0 CA-C-O 119.221 -0.408 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.22 119.92 6.46 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.577 2.184 . . . . 0.0 111.135 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 68.1 m -144.21 93.53 2.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.16 1.384 . . . . 0.0 109.898 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 71.9 t80 -90.07 -87.77 0.18 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.955 0.902 . . . . 0.0 109.462 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.23 -36.8 76.09 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.114 -0.991 . . . . 0.0 112.292 173.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.97 -13.51 57.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 41.8 t -98.81 -41.59 7.57 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.392 1.077 . . . . 0.0 112.162 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -172.598 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.148 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.12 156.42 65.87 Favored 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.833 3.022 . . . . 0.0 113.653 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.41 114.03 3.88 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 124.047 3.165 . . . . 0.0 113.047 -170.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.73 26.18 73.0 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 114.946 0.739 . . . . 0.0 114.946 175.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -121.12 162.34 20.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.479 1.911 . . . . 0.0 111.284 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -131.5 151.02 51.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.219 1.808 . . . . 0.0 109.447 172.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -143.0 124.39 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.162 1.385 . . . . 0.0 108.603 -167.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -131.76 160.13 36.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.317 1.047 . . . . 0.0 111.323 -172.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -134.55 98.88 4.19 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.518 1.527 . . . . 0.0 109.18 -170.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 60.5 p -73.08 156.25 38.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.363 0.665 . . . . 0.0 112.212 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.45 -19.64 49.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -64.4 -13.11 49.29 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 169.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.57 38.09 6.74 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.508 1.051 . . . . 0.0 113.216 -178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -134.64 135.46 42.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.872 1.269 . . . . 0.0 111.74 -172.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -86.96 142.72 27.77 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.54 1.136 . . . . 0.0 111.101 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.29 157.24 47.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.035 1.734 . . . . 0.0 110.683 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -120.59 147.78 44.75 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.56 1.144 . . . . 0.0 110.53 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.1 t -137.81 127.06 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 126.126 1.77 . . . . 0.0 109.479 -166.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -111.62 114.08 26.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.87 1.268 . . . . 0.0 110.097 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -75.91 -15.86 60.12 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -74.1 -32.33 63.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.868 1.267 . . . . 0.0 112.984 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 46.8 p -132.68 7.76 4.13 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.598 1.559 . . . . 0.0 113.571 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 66.92 6.61 4.76 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 127.639 2.376 . . . . 0.0 114.824 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.6 163.09 26.27 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.453 1.101 . . . . 0.0 113.316 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 56.6 p -144.22 159.85 41.97 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.244 1.818 . . . . 0.0 110.605 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 9.2 t -158.54 161.86 37.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.687 0.795 . . . . 0.0 112.972 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -89.02 -8.36 54.18 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.548 1.939 . . . . 0.0 113.383 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 CA--C 1.546 0.815 0 C-N-CA 125.982 1.713 . . . . 0.0 111.736 -172.271 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.545 1.048 0 N-CA-C 111.142 -0.369 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.14 120.88 7.34 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.659 2.239 . . . . 0.0 110.62 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 32.2 m -150.87 79.41 1.32 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.683 1.193 . . . . 0.0 110.88 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 61.9 t80 -81.89 -91.6 0.07 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.751 0.82 . . . . 0.0 110.606 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.08 -26.88 65.02 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.591 1.157 . . . . 0.0 112.6 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.66 -19.77 66.04 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.673 1.189 . . . . 0.0 113.909 174.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.1 t -106.75 -42.95 4.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.692 1.197 . . . . 0.0 112.238 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.6 pt . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -175.508 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.557 1.215 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.07 154.93 71.38 Favored 'Trans proline' 0 CA--C 1.55 1.289 0 C-N-CA 123.471 2.78 . . . . 0.0 113.625 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.53 110.99 3.01 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.001 3.134 . . . . 0.0 113.132 -168.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.61 24.86 72.72 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 123.827 0.727 . . . . 0.0 114.816 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -115.61 162.83 16.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.193 1.797 . . . . 0.0 111.334 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -131.8 150.5 52.13 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.831 1.652 . . . . 0.0 109.488 171.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.2 mp -141.78 123.45 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.473 1.509 . . . . 0.0 108.514 -168.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -131.38 159.17 38.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.285 1.034 . . . . 0.0 111.216 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -134.97 94.23 3.12 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.39 1.476 . . . . 0.0 109.177 -168.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 68.5 p -68.3 154.3 42.03 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.838 -0.539 . . . . 0.0 112.211 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.91 -16.87 32.95 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.84 -13.44 61.59 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 170.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 90.89 37.28 6.43 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.472 1.034 . . . . 0.0 113.196 -178.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -133.73 134.41 42.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.053 1.341 . . . . 0.0 111.477 -173.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -87.11 144.07 27.03 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.903 1.281 . . . . 0.0 111.321 173.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -137.83 158.32 44.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.301 1.84 . . . . 0.0 110.878 173.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -121.5 148.44 44.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.93 1.292 . . . . 0.0 110.268 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.27 130.73 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.439 1.896 . . . . 0.0 109.564 -167.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -121.78 88.29 2.91 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.303 1.441 . . . . 0.0 111.492 -172.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -56.04 -22.62 28.41 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.226 1.41 . . . . 0.0 114.462 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -64.29 -22.15 66.85 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.594 1.158 . . . . 0.0 113.547 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 13.8 t -149.96 17.56 0.87 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.759 1.224 . . . . 0.0 113.144 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 58.8 14.85 3.44 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 127.301 2.241 . . . . 0.0 115.581 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -80.1 167.3 20.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.366 1.067 . . . . 0.0 113.165 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 44.4 p -144.98 161.82 38.42 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.03 1.732 . . . . 0.0 111.531 178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.5 t -159.54 163.06 35.48 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.289 1.036 . . . . 0.0 112.2 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -87.19 -12.8 45.78 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.217 1.807 . . . . 0.0 113.388 -176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 126.052 1.741 . . . . 0.0 111.299 -172.445 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo . . . . . 0 CA--C 1.547 1.132 0 N-CA-C 110.767 -0.513 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -72.28 123.96 9.58 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.596 2.197 . . . . 0.0 110.819 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.5 m -148.78 93.98 2.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.656 1.182 . . . . 0.0 110.596 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 68.3 t80 -90.02 -92.04 0.13 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.83 0.852 . . . . 0.0 110.076 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.52 -31.8 66.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.559 1.144 . . . . 0.0 112.173 172.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.38 -23.05 66.6 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.554 1.142 . . . . 0.0 113.873 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 35.6 t -99.21 -38.17 9.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.64 1.176 . . . . 0.0 112.593 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 11.0 pt . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -174.75 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.151 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.17 156.89 64.09 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 C-N-CA 123.823 3.015 . . . . 0.0 113.572 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.8 115.16 4.19 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.909 3.072 . . . . 0.0 112.888 -171.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 63.73 29.56 75.1 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 123.793 0.711 . . . . 0.0 114.86 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -122.85 159.53 27.97 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.169 1.788 . . . . 0.0 111.142 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -126.66 147.49 49.92 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.566 1.546 . . . . 0.0 109.244 171.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.2 mp -141.06 128.43 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.821 1.248 . . . . 0.0 108.656 -170.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.11 161.17 35.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.673 1.189 . . . . 0.0 111.545 -172.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -132.7 106.48 7.79 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.999 1.719 . . . . 0.0 108.93 -173.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 80.7 p -74.67 159.65 31.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.301 0.641 . . . . 0.0 112.548 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.57 -17.17 53.86 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -69.95 -10.96 60.41 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 170.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.09 25.39 44.77 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.23 0.919 . . . . 0.0 113.243 -173.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -118.34 129.27 55.34 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.125 1.37 . . . . 0.0 110.515 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -90.25 145.57 24.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.649 1.58 . . . . 0.0 111.247 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -141.75 157.63 44.8 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.611 1.565 . . . . 0.0 111.119 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -117.53 147.75 42.5 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.942 1.297 . . . . 0.0 110.434 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 56.5 t -132.84 115.98 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 126.872 2.069 . . . . 0.0 108.655 -170.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -91.63 85.92 5.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.409 1.083 . . . . 0.0 110.644 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -18.21 7.4 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -71.72 -28.09 63.44 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.453 1.501 . . . . 0.0 113.874 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 34.5 p -136.58 -2.51 2.18 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 70.91 8.31 6.49 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.828 2.451 . . . . 0.0 114.413 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -63.69 163.86 10.78 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.718 1.207 . . . . 0.0 112.692 170.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 22.7 p -141.45 160.7 39.6 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.985 1.714 . . . . 0.0 111.005 173.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.1 t -158.94 157.84 32.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.097 0.959 . . . . 0.0 111.732 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -77.5 -23.84 50.2 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.533 1.533 . . . . 0.0 112.849 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 125.918 1.687 . . . . 0.0 111.636 -166.267 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo . . . . . 0 CA--C 1.545 1.059 0 N-CA-C 110.727 -0.528 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -70.96 128.64 15.19 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.38 2.053 . . . . 0.0 110.236 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 48.1 m -158.23 91.7 1.11 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.975 1.31 . . . . 0.0 109.657 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 49.6 t80 -91.82 -88.59 0.19 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.78 0.832 . . . . 0.0 109.664 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.93 -31.18 69.61 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.201 -0.937 . . . . 0.0 112.456 174.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.39 -14.29 62.89 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.5 t -100.13 -39.31 8.15 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.455 1.102 . . . . 0.0 112.147 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 9.8 pt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -176.924 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.554 1.13 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.6 155.56 68.53 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 123.691 2.928 . . . . 0.0 113.604 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.95 114.8 4.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.922 3.081 . . . . 0.0 113.01 -170.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.78 25.32 71.74 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 123.807 0.718 . . . . 0.0 114.838 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -119.72 161.97 19.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.217 1.807 . . . . 0.0 111.059 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -130.84 151.38 51.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.972 1.709 . . . . 0.0 109.679 170.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -140.37 124.88 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.429 1.491 . . . . 0.0 109.131 -169.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -131.52 158.98 39.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.638 1.175 . . . . 0.0 111.013 -171.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -133.31 97.57 4.01 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.499 1.519 . . . . 0.0 109.093 -167.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 70.8 p -68.18 154.37 41.85 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.686 0.794 . . . . 0.0 112.542 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.37 -15.24 56.86 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -67.14 -12.26 59.51 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 168.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.79 26.64 24.1 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.864 1.221 . . . . 0.0 113.075 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -128.24 126.07 40.18 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.338 1.055 . . . . 0.0 111.543 -169.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -84.11 143.9 29.38 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.316 1.847 . . . . 0.0 111.7 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -142.23 162.92 34.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.357 1.463 . . . . 0.0 110.976 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -121.46 152.39 39.17 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.705 1.602 . . . . 0.0 110.582 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.5 126.08 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 126.55 1.94 . . . . 0.0 109.86 -168.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -108.3 93.5 4.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.561 1.144 . . . . 0.0 111.808 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -58.49 -20.24 44.0 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -69.67 -25.03 63.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.172 0.989 . . . . 0.0 113.557 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 49.9 p -139.44 -3.27 1.53 Allowed 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 11.9 ttp-105 70.1 6.64 5.86 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.671 2.389 . . . . 0.0 114.393 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -68.14 164.26 20.75 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.446 1.099 . . . . 0.0 113.081 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 38.7 p -144.13 159.52 42.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.325 1.85 . . . . 0.0 111.663 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 2.9 t -158.19 149.51 21.14 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.464 1.106 . . . . 0.0 112.223 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -79.97 -46.32 16.88 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.291 1.036 . . . . 0.0 112.225 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 124.528 1.131 . . . . 0.0 111.918 174.599 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 CA--C 1.547 1.14 0 CA-C-O 119.27 -0.388 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.53 127.97 14.69 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.637 2.225 . . . . 0.0 110.574 171.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 47.0 m -154.73 91.49 1.39 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.128 1.371 . . . . 0.0 110.225 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.71 -88.62 0.16 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.958 0.903 . . . . 0.0 110.392 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -62.71 -26.75 68.83 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.016 -1.053 . . . . 0.0 113.304 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.53 -7.19 36.12 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 173.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 46.5 t -112.95 -40.25 4.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.098 1.359 . . . . 0.0 112.617 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 13.6 pt . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.87 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.174 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.73 154.97 71.78 Favored 'Trans proline' 0 CA--C 1.549 1.271 0 C-N-CA 123.565 2.844 . . . . 0.0 113.451 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.88 115.08 4.16 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.923 3.082 . . . . 0.0 113.094 -169.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.71 29.42 75.08 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 114.809 0.684 . . . . 0.0 114.809 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -122.01 162.76 20.56 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.355 1.862 . . . . 0.0 111.676 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -130.37 150.61 51.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.814 1.646 . . . . 0.0 109.212 169.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.62 126.24 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.927 1.291 . . . . 0.0 108.939 -167.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -138.01 164.89 27.94 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.722 0.809 . . . . 0.0 113.155 -173.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -129.15 114.31 16.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.562 1.945 . . . . 0.0 108.723 -171.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 27.3 p -82.45 163.81 21.38 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.488 -0.758 . . . . 0.0 112.065 -177.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.26 -13.22 17.14 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -74.85 -9.51 58.62 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.4 1.08 . . . . 0.0 113.604 171.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.83 35.28 13.34 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.284 0.945 . . . . 0.0 113.176 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -132.99 142.37 48.8 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.047 1.339 . . . . 0.0 111.692 -172.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 34.4 ttp85 -102.03 142.89 32.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.13 1.372 . . . . 0.0 111.646 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -140.99 158.41 43.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.202 1.801 . . . . 0.0 110.757 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -117.09 148.3 41.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.67 1.188 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 93.8 t -133.33 116.85 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.916 2.087 . . . . 0.0 109.07 -169.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -95.43 85.3 4.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.201 1.401 . . . . 0.0 110.822 -175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -19.19 5.04 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -69.17 -26.97 65.12 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.521 1.128 . . . . 0.0 113.307 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 67.9 p -142.92 3.59 1.42 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -173.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 2.2 mtm-85 67.41 4.7 3.88 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 127.1 2.16 . . . . 0.0 115.102 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -66.54 166.18 13.18 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.535 1.534 . . . . 0.0 112.87 175.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 19.3 p -146.0 160.42 41.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.877 1.671 . . . . 0.0 111.477 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.8 t -159.07 159.89 35.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.266 1.026 . . . . 0.0 112.152 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -80.49 -14.06 58.58 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.969 1.708 . . . . 0.0 113.648 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 125.472 1.509 . . . . 0.0 111.943 -171.326 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 CA--C 1.541 0.866 0 N-CA-C 110.815 -0.494 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.68 119.62 6.55 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.552 2.168 . . . . 0.0 110.424 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.0 m -146.9 80.68 1.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.162 1.385 . . . . 0.0 109.64 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 40.7 t80 -85.5 -86.85 0.13 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.373 0.669 . . . . 0.0 109.829 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.42 -44.71 65.59 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.369 1.468 . . . . 0.0 112.13 173.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.98 -17.7 64.64 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.3 t -93.22 -42.85 9.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.87 0.868 . . . . 0.0 112.069 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 22.4 pt . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -173.809 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.143 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.98 157.05 63.38 Favored 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.877 3.052 . . . . 0.0 113.671 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -72.03 113.68 3.75 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.993 3.129 . . . . 0.0 113.089 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.52 27.07 72.18 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 123.81 0.719 . . . . 0.0 114.838 176.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -121.95 159.01 27.81 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.338 1.855 . . . . 0.0 111.131 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -127.0 151.52 48.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.43 1.892 . . . . 0.0 109.057 170.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -142.7 124.29 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.033 1.333 . . . . 0.0 108.502 -169.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.92 158.36 42.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.851 0.86 . . . . 0.0 111.957 -173.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -131.78 102.16 5.76 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.788 1.635 . . . . 0.0 108.582 -167.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 35.5 p -74.38 161.46 29.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.523 0.677 . . . . 0.0 112.27 -172.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.76 56.77 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -75.79 -8.86 57.9 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.419 1.088 . . . . 0.0 113.628 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 85.97 27.72 30.65 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.409 1.004 . . . . 0.0 113.481 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -117.85 120.4 37.8 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.529 1.132 . . . . 0.0 110.877 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -75.76 139.42 41.83 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.562 0.745 . . . . 0.0 110.619 169.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -136.27 161.04 36.88 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.771 1.628 . . . . 0.0 110.468 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -119.95 148.29 43.71 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.566 1.546 . . . . 0.0 109.981 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.82 123.33 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 126.509 1.924 . . . . 0.0 109.215 -168.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -101.72 118.46 36.98 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.755 1.222 . . . . 0.0 110.37 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -80.15 -16.03 55.79 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -71.84 -31.63 66.71 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.12 0.968 . . . . 0.0 113.13 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 12.6 t -145.18 22.92 1.52 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.394 1.478 . . . . 0.0 112.838 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 62.15 8.18 2.53 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 127.435 2.294 . . . . 0.0 115.98 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -69.85 163.52 25.7 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.373 1.469 . . . . 0.0 113.137 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 36.9 p -145.33 160.94 40.76 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.422 1.489 . . . . 0.0 111.912 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.5 t -160.15 157.89 29.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.395 1.078 . . . . 0.0 112.212 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -87.1 -11.92 48.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.846 1.658 . . . . 0.0 113.291 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 N--CA 1.474 0.769 0 C-N-CA 125.17 1.388 . . . . 0.0 112.141 -175.623 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 CA--C 1.546 1.098 0 CA-C-O 119.218 -0.409 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.7 125.55 10.65 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.626 2.217 . . . . 0.0 111.284 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.3 m -149.39 95.75 2.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.145 1.378 . . . . 0.0 110.078 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -91.35 -85.11 0.24 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.606 0.763 . . . . 0.0 109.905 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.62 -40.99 93.91 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.291 -0.88 . . . . 0.0 111.62 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.81 -15.46 30.28 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 47.5 t -92.05 -49.72 6.07 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.968 0.907 . . . . 0.0 112.207 169.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 20.6 pt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.615 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 N--CA 1.493 1.718 0 CA-C-O 118.905 -0.569 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 8.7 m -52.9 -22.61 5.74 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 118.395 2.739 . . . . 0.0 118.395 -162.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -135.74 17.07 3.31 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.229 1.411 . . . . 0.0 113.534 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.84 -15.5 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 126.045 1.738 . . . . 0.0 111.459 -174.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -119.97 19.13 12.4 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.996 1.718 . . . . 0.0 112.38 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -66.78 -179.87 0.96 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.262 1.825 . . . . 0.0 113.06 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -58.67 166.65 7.19 Favored Glycine 0 CA--C 1.547 2.082 0 C-N-CA 125.096 1.332 . . . . 0.0 116.032 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -69.05 150.46 72.57 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.117 3.212 . . . . 0.0 113.245 -172.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 155.49 76.69 Favored Pre-proline 0 CA--C 1.555 1.169 0 C-N-CA 123.736 0.814 . . . . 0.0 113.148 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.75 156.42 66.06 Favored 'Trans proline' 0 CA--C 1.55 1.291 0 C-N-CA 123.813 3.009 . . . . 0.0 113.668 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -72.93 113.74 3.85 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.083 3.189 . . . . 0.0 113.16 -170.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 67.37 25.66 73.65 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 114.859 0.704 . . . . 0.0 114.859 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -120.38 161.59 20.92 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.296 1.838 . . . . 0.0 111.276 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -129.93 150.78 51.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.184 1.794 . . . . 0.0 109.245 171.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.9 mp -142.42 124.16 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 125.194 1.398 . . . . 0.0 108.643 -168.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -131.28 160.09 35.95 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.339 1.056 . . . . 0.0 111.709 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -132.3 109.33 9.81 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.878 1.671 . . . . 0.0 108.871 -171.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 70.4 p -81.16 160.5 24.36 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.347 0.659 . . . . 0.0 112.417 -175.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.12 -16.16 59.09 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.51 -11.59 60.07 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.738 1.215 . . . . 0.0 114.032 170.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 85.08 31.88 21.98 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.333 0.968 . . . . 0.0 113.329 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -127.93 156.1 43.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.289 1.435 . . . . 0.0 111.708 -176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -116.83 140.74 49.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.713 1.605 . . . . 0.0 110.753 -174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.99 155.78 46.95 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.258 1.423 . . . . 0.0 110.937 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -118.96 146.77 44.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.855 1.262 . . . . 0.0 110.166 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.97 123.12 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 126.248 1.819 . . . . 0.0 109.545 -168.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.72 104.06 13.8 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.119 1.367 . . . . 0.0 110.512 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -66.98 -19.57 65.74 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -71.02 -31.39 67.86 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.453 1.101 . . . . 0.0 113.382 -176.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 49.6 p -133.5 4.11 3.64 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.543 1.537 . . . . 0.0 113.612 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.5 ttm105 62.35 14.28 6.71 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.585 2.354 . . . . 0.0 114.751 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -71.34 163.18 28.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.393 1.477 . . . . 0.0 112.982 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 27.2 p -147.75 153.1 38.81 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.812 1.645 . . . . 0.0 111.146 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.7 t -156.09 161.16 40.42 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.763 0.825 . . . . 0.0 112.663 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -83.96 -12.85 54.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.291 1.836 . . . . 0.0 113.64 -176.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -150.63 -165.44 2.27 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.131 1.773 . . . . 0.0 111.505 -173.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -118.27 73.92 10.6 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 124.679 1.192 . . . . 0.0 111.455 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 173.07 15.12 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.941 3.094 . . . . 0.0 112.93 -176.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -56.02 149.26 35.46 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.616 1.166 . . . . 0.0 112.189 169.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -66.49 138.94 51.96 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 122.821 2.347 . . . . 0.0 110.747 171.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 163.25 -153.46 23.98 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.789 0.709 . . . . 0.0 113.377 -172.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -54.99 152.47 13.7 Favored Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 125.068 1.347 . . . . 0.0 113.218 173.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.3 3.334 . . . . 0.0 114.363 -176.57 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 71.3 m-80 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 21.0 p -81.2 136.12 35.82 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.379 1.072 . . . . 0.0 111.253 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 142.7 71.09 0.03 OUTLIER Glycine 0 N--CA 1.47 0.94 0 C-N-CA 123.555 0.598 . . . . 0.0 113.07 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -52.8 137.5 31.63 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 117.625 0.712 . . . . 0.0 112.355 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 18.2 tptt -142.68 -174.59 4.2 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.631 1.972 . . . . 0.0 110.253 -174.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -56.14 118.37 20.81 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 118.643 0.656 . . . . 0.0 110.664 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.44 127.33 11.72 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.486 2.124 . . . . 0.0 111.037 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.72 121.85 8.31 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.497 2.131 . . . . 0.0 110.594 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 73.3 m -148.99 93.4 2.1 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.371 1.468 . . . . 0.0 109.773 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -87.7 -89.29 0.13 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.799 0.839 . . . . 0.0 109.81 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.95 -36.72 68.12 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.498 1.519 . . . . 0.0 112.238 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.9 -17.14 63.93 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.2 t -95.29 -38.97 10.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.232 1.013 . . . . 0.0 112.209 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 12.3 pt -85.36 20.15 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 17.7 pttp . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.776 1.631 . . . . 0.0 113.312 -179.639 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.495 1.789 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 6.5 m -53.45 -26.85 21.92 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 118.453 2.76 . . . . 0.0 118.453 -159.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -128.37 15.94 6.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.222 1.409 . . . . 0.0 113.564 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.91 -25.01 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.849 1.66 . . . . 0.0 110.987 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.56 48.44 2.15 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.697 1.599 . . . . 0.0 110.768 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.78 146.39 46.25 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.035 1.334 . . . . 0.0 112.602 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 76.73 -177.54 51.62 Favored Glycine 0 CA--C 1.545 1.957 0 C-N-CA 124.185 0.898 . . . . 0.0 114.388 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.91 153.15 58.3 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.671 2.914 . . . . 0.0 112.179 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.88 154.97 80.63 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 123.285 0.634 . . . . 0.0 112.708 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.73 156.17 66.35 Favored 'Trans proline' 0 CA--C 1.549 1.269 0 C-N-CA 123.676 2.917 . . . . 0.0 113.584 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.88 112.79 3.48 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.026 3.151 . . . . 0.0 113.167 -169.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.21 23.49 71.53 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 123.911 0.767 . . . . 0.0 114.935 176.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -116.66 160.71 20.31 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.116 1.766 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -130.02 149.62 51.65 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.246 1.819 . . . . 0.0 109.019 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.2 mp -143.5 121.02 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.08 1.352 . . . . 0.0 108.315 -168.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -129.35 159.81 35.02 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.14 0.976 . . . . 0.0 111.542 -171.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -129.51 97.45 4.55 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.71 1.604 . . . . 0.0 108.971 -168.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 80.4 p -67.01 153.87 42.58 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.625 0.77 . . . . 0.0 112.01 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.37 -14.47 50.48 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.97 -12.86 58.0 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.768 1.227 . . . . 0.0 113.884 167.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 88.48 31.31 13.72 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.801 1.191 . . . . 0.0 112.938 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -131.16 129.34 41.64 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.535 1.134 . . . . 0.0 111.682 -169.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -86.34 142.19 28.67 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.015 1.326 . . . . 0.0 111.59 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -139.33 157.98 44.94 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.566 1.547 . . . . 0.0 110.568 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.29 151.0 33.6 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.443 1.497 . . . . 0.0 110.607 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.4 t -139.19 129.2 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 126.656 1.982 . . . . 0.0 108.949 -169.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -115.2 114.48 25.3 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.324 1.05 . . . . 0.0 110.368 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -74.86 -19.95 59.95 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -67.44 -29.44 68.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.04 0.936 . . . . 0.0 112.992 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 72.0 p -134.14 6.03 3.59 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.631 1.572 . . . . 0.0 113.66 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 65.85 2.63 2.24 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.226 2.61 . . . . 0.0 115.248 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 10.2 ptm85 -75.68 171.98 13.41 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.625 1.17 . . . . 0.0 113.858 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 48.2 p -143.85 163.62 32.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.571 1.548 . . . . 0.0 112.095 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.0 t -160.48 157.54 27.77 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.88 1.272 . . . . 0.0 111.568 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -82.73 -15.33 52.25 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.032 1.333 . . . . 0.0 113.333 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -136.01 -165.62 1.74 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.877 1.271 . . . . 0.0 112.33 -172.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -119.26 73.96 14.59 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.503 1.121 . . . . 0.0 111.044 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -73.96 179.28 5.87 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.964 3.109 . . . . 0.0 112.561 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -52.47 148.46 12.32 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.194 1.398 . . . . 0.0 112.657 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.59 -14.82 30.58 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.646 2.897 . . . . 0.0 114.427 -175.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -76.03 54.73 3.08 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.862 1.696 . . . . 0.0 113.674 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -132.75 63.88 69.09 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 125.61 1.564 . . . . 0.0 112.684 -172.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--O 1.253 1.253 0 C-N-CA 123.121 2.547 . . . . 0.0 111.377 170.344 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 19.2 t30 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 25.4 p -144.89 171.12 14.89 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.406 1.482 . . . . 0.0 111.879 -175.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -170.07 -172.93 37.04 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.436 1.493 . . . . 0.0 112.168 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -55.26 128.46 34.13 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.789 0.836 . . . . 0.0 112.055 176.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -153.62 -179.33 7.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.526 1.93 . . . . 0.0 110.024 -172.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -54.16 116.53 10.65 Favored Pre-proline 0 CA--C 1.548 0.895 0 CA-C-N 119.323 0.965 . . . . 0.0 111.43 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.94 124.05 8.86 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.324 2.016 . . . . 0.0 110.634 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.51 133.97 29.43 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.258 1.972 . . . . 0.0 110.146 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 39.5 m -158.73 84.3 0.82 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.961 1.304 . . . . 0.0 109.881 -177.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 60.5 t80 -80.34 -88.94 0.07 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.52 0.728 . . . . 0.0 110.243 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.16 -32.09 70.72 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.046 -1.034 . . . . 0.0 112.595 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.59 -11.7 58.72 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 19.3 t -109.1 -30.4 8.07 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.628 1.171 . . . . 0.0 112.978 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.5 pt -89.93 17.64 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.99 1.716 . . . . 0.0 113.382 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 118.161 -0.923 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 13.8 m -51.94 -25.4 8.12 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 119.886 3.291 . . . . 0.0 119.886 -160.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -130.34 16.24 5.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.792 1.237 . . . . 0.0 113.811 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.25 -5.18 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 126.232 1.813 . . . . 0.0 110.789 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -141.24 44.41 1.77 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.304 1.842 . . . . 0.0 110.767 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.93 149.02 41.77 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.876 -1.14 . . . . 0.0 112.911 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 83.32 -179.02 52.74 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 124.485 1.041 . . . . 0.0 114.284 -177.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.92 154.07 63.32 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.683 2.922 . . . . 0.0 112.286 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.65 154.62 93.04 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 123.508 0.723 . . . . 0.0 112.665 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.85 154.01 74.09 Favored 'Trans proline' 0 CA--C 1.549 1.246 0 C-N-CA 123.468 2.779 . . . . 0.0 113.662 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.47 112.02 3.25 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.937 3.091 . . . . 0.0 112.987 -169.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.81 26.61 72.21 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 123.705 0.669 . . . . 0.0 114.706 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -120.77 163.29 18.35 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.652 1.981 . . . . 0.0 111.309 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -137.8 149.09 46.08 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.148 1.779 . . . . 0.0 108.648 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -144.98 129.95 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 120.941 -1.1 . . . . 0.0 109.843 -168.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -124.76 153.01 43.08 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.024 1.33 . . . . 0.0 111.153 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -120.48 106.19 11.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.102 1.761 . . . . 0.0 108.195 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 74.2 p -74.3 156.78 36.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.792 0.837 . . . . 0.0 112.328 -176.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.45 57.27 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.62 -12.33 61.2 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.682 1.193 . . . . 0.0 114.031 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.76 32.65 12.54 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.187 0.898 . . . . 0.0 113.231 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -135.96 144.48 45.43 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.095 1.358 . . . . 0.0 111.861 -173.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -103.53 143.24 32.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.645 1.178 . . . . 0.0 111.685 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -140.05 143.78 36.54 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.167 1.387 . . . . 0.0 110.902 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -98.98 149.99 22.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.285 1.034 . . . . 0.0 111.093 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 73.2 t -138.42 128.23 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.111 2.164 . . . . 0.0 108.939 -171.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -112.64 119.93 39.79 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.772 1.229 . . . . 0.0 110.256 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -82.37 -11.19 58.73 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -77.46 -32.47 54.48 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.597 1.159 . . . . 0.0 112.474 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 64.8 p -134.67 7.73 3.54 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.961 1.704 . . . . 0.0 113.455 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 67.4 7.71 5.75 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.521 2.329 . . . . 0.0 114.983 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -70.8 167.27 19.22 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.463 1.505 . . . . 0.0 113.458 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 28.2 p -145.44 159.53 42.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.341 1.856 . . . . 0.0 111.346 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -157.51 149.77 22.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.53 0.732 . . . . 0.0 112.532 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.73 -15.95 60.76 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.879 1.672 . . . . 0.0 113.2 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -143.49 -172.42 3.71 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.051 2.141 . . . . 0.0 111.036 -174.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -113.31 77.2 2.88 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 124.924 1.29 . . . . 0.0 111.977 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.0 -178.74 4.05 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.326 3.351 . . . . 0.0 112.772 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -51.9 147.87 11.55 Favored Pre-proline 0 N--CA 1.48 1.027 0 C-N-CA 124.568 1.147 . . . . 0.0 112.255 169.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.33 70.17 3.22 Favored 'Trans proline' 0 CA--C 1.547 1.172 1 C-N-CA 125.325 4.017 . . . . 0.0 113.161 -174.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 142.67 -12.25 2.43 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 126.313 1.911 . . . . 0.0 114.096 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . 38.29 58.13 5.1 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 126.632 1.973 . . . . 0.0 114.746 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo . . . . . 0 C--O 1.251 1.159 0 C-N-CA 124.272 3.314 . . . . 0.0 113.512 -176.156 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 20.7 p -134.56 149.11 50.6 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.651 1.181 . . . . 0.0 113.143 -175.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 147.71 163.93 10.96 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.217 1.865 . . . . 0.0 112.007 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -68.23 143.12 55.42 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.678 -0.895 . . . . 0.0 111.276 170.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 18.3 tptt -149.51 -176.32 5.35 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.24 1.816 . . . . 0.0 110.022 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -56.24 118.58 22.15 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 118.835 0.743 . . . . 0.0 110.992 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.62 126.62 10.98 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.406 2.071 . . . . 0.0 110.907 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.27 122.52 8.77 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.449 2.099 . . . . 0.0 110.51 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.3 m -148.94 77.77 1.38 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.137 1.375 . . . . 0.0 110.14 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 61.6 t80 -78.67 -89.59 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.624 0.77 . . . . 0.0 110.571 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.09 -29.27 69.65 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.727 -1.233 . . . . 0.0 112.661 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -70.65 -7.75 46.73 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 20.0 t -115.25 -36.61 4.3 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.564 1.145 . . . . 0.0 112.503 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 1.2 pt -88.05 22.1 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.032 0.933 . . . . 0.0 113.48 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? . . . . . 0 C--O 1.254 1.32 0 C-N-CA 128.585 2.754 . . . . 0.0 116.145 -178.314 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . 0.263 9.9 p . . . . . 0 N--CA 1.493 1.71 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 70.8 m -57.92 -28.66 64.46 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 -163.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -135.3 16.75 3.43 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.901 1.28 . . . . 0.0 113.577 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.75 18.15 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 125.562 1.545 . . . . 0.0 111.192 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -144.98 17.28 1.59 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.123 1.369 . . . . 0.0 112.57 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.91 167.62 18.76 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.127 1.371 . . . . 0.0 112.858 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -79.43 169.91 53.97 Favored Glycine 0 CA--C 1.546 1.979 0 C-N-CA 124.256 0.931 . . . . 0.0 114.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -73.84 161.86 40.61 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 124.305 3.337 . . . . 0.0 112.892 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.3 155.19 66.66 Favored Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 123.638 0.775 . . . . 0.0 112.898 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.93 158.71 55.83 Favored 'Trans proline' 0 CA--C 1.55 1.287 0 C-N-CA 124.049 3.166 . . . . 0.0 113.774 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -72.35 113.56 3.74 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.983 3.122 . . . . 0.0 113.178 -171.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 62.57 25.92 67.72 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 123.949 0.785 . . . . 0.0 114.97 176.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -116.55 157.71 24.82 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.42 1.888 . . . . 0.0 110.728 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -125.39 147.5 49.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.016 1.726 . . . . 0.0 109.068 170.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.1 mp -140.99 125.71 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.467 1.107 . . . . 0.0 108.244 -171.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -131.39 157.73 42.65 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.2 1.0 . . . . 0.0 111.154 -173.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -124.17 105.35 9.44 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.866 1.666 . . . . 0.0 108.651 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 67.4 p -65.76 145.72 55.65 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.376 0.67 . . . . 0.0 111.346 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.26 64.02 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.53 -15.3 63.49 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.06 1.344 . . . . 0.0 114.254 171.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 113.61 23.85 4.9 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.697 1.142 . . . . 0.0 115.82 168.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -135.21 142.14 45.97 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.442 1.621 . . . . 0.0 113.098 -173.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -88.63 143.5 26.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.719 1.608 . . . . 0.0 111.952 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -139.18 154.68 48.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.194 1.797 . . . . 0.0 110.488 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -114.2 146.22 40.66 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.455 1.102 . . . . 0.0 110.832 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 92.8 t -135.56 128.55 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.932 2.093 . . . . 0.0 109.359 -169.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -115.96 118.41 32.86 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.452 1.101 . . . . 0.0 109.984 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -78.46 -17.38 56.39 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -69.92 -31.76 69.7 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.871 1.268 . . . . 0.0 113.139 -174.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 28.2 p -131.18 8.07 4.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.993 1.317 . . . . 0.0 113.469 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 69.36 2.65 3.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.866 2.466 . . . . 0.0 115.141 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -69.81 169.27 13.37 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.27 1.428 . . . . 0.0 113.948 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 15.6 p -145.26 162.79 36.32 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.106 1.763 . . . . 0.0 111.593 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.5 t -160.4 156.93 26.91 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.014 0.926 . . . . 0.0 112.678 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -85.74 -16.94 37.3 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.885 1.674 . . . . 0.0 113.402 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -126.47 -167.64 1.75 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.255 1.822 . . . . 0.0 110.757 -174.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -118.4 75.85 12.35 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 121.061 -1.025 . . . . 0.0 110.845 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.52 -171.0 0.74 Allowed 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 124.576 3.517 . . . . 0.0 112.098 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -51.21 148.56 8.18 Favored Pre-proline 0 N--CA 1.479 1.021 0 O-C-N 121.159 -0.963 . . . . 0.0 112.137 170.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -65.58 -37.67 28.22 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.717 2.278 . . . . 0.0 113.346 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 60.37 -173.66 5.3 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.462 1.03 . . . . 0.0 114.286 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 557' ' ' PRO . . . 57.68 172.1 0.05 OUTLIER Pre-proline 0 CA--C 1.563 1.443 0 C-N-CA 126.174 1.789 . . . . 0.0 115.358 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 556' ' ' ALA . 48.5 Cg_endo . . . . . 0 C--O 1.251 1.15 0 C-N-CA 123.176 2.584 . . . . 0.0 112.907 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 62.2 m-80 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 121.041 0.448 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 12.8 p -150.03 156.0 40.9 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.59 1.956 . . . . 0.0 110.26 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 154.1 -165.98 31.9 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.238 0.923 . . . . 0.0 112.842 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -59.16 111.05 1.2 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.6 0.76 . . . . 0.0 111.108 169.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 12.9 mptt -134.19 169.28 17.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.424 2.29 . . . . 0.0 110.0 -177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.54 113.35 3.55 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.939 1.296 . . . . 0.0 109.869 171.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -74.21 115.62 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 121.97 1.78 . . . . 0.0 110.333 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.53 124.13 10.49 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 122.085 1.857 . . . . 0.0 110.328 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.9 m -147.74 85.63 1.57 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.325 1.45 . . . . 0.0 109.326 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 75.0 t80 -82.66 -88.52 0.09 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.753 0.821 . . . . 0.0 109.306 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.54 -34.06 72.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.623 1.569 . . . . 0.0 112.242 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.2 -15.34 62.92 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 177.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.5 t -100.14 -40.57 7.52 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.193 0.997 . . . . 0.0 112.027 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 2.4 pt -81.99 27.97 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.054 1.742 . . . . 0.0 113.54 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 5.7 m -54.22 -27.13 32.51 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 -160.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.7 26.53 4.02 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.065 1.346 . . . . 0.0 113.101 173.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 4.2 mp -129.02 -15.05 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 125.988 1.715 . . . . 0.0 111.251 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -128.52 37.74 4.08 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.958 1.703 . . . . 0.0 111.656 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.16 -166.94 0.1 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.984 1.313 . . . . 0.0 112.831 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -62.02 -173.15 1.53 Allowed Glycine 0 CA--C 1.549 2.208 0 C-N-CA 124.954 1.264 . . . . 0.0 114.965 166.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -64.66 160.38 40.49 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.703 2.935 . . . . 0.0 113.405 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.93 150.9 76.2 Favored Pre-proline 0 CA--C 1.556 1.197 0 C-N-CA 124.265 1.026 . . . . 0.0 113.454 -173.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.75 152.39 80.66 Favored 'Trans proline' 0 CA--C 1.548 1.221 0 C-N-CA 123.355 2.703 . . . . 0.0 113.629 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.04 111.72 2.94 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.967 3.111 . . . . 0.0 113.122 -166.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.84 22.52 72.08 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 123.955 0.788 . . . . 0.0 114.873 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -112.68 161.54 16.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.883 1.673 . . . . 0.0 111.516 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -129.85 149.64 51.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.297 1.839 . . . . 0.0 108.938 170.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.3 mp -143.03 122.66 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.151 1.38 . . . . 0.0 108.365 -169.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -130.6 160.26 34.72 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.079 0.952 . . . . 0.0 111.746 -171.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -130.39 110.45 11.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.945 1.698 . . . . 0.0 108.953 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 55.7 p -79.22 161.7 26.19 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.426 0.632 . . . . 0.0 112.034 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.99 -15.24 42.46 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.94 -10.75 60.26 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 170.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 86.25 34.17 12.95 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.338 0.97 . . . . 0.0 113.115 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -128.37 134.07 48.77 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.96 1.304 . . . . 0.0 111.353 -170.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -95.47 138.16 33.54 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.294 1.438 . . . . 0.0 110.836 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -137.55 155.22 49.48 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.607 1.563 . . . . 0.0 110.439 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -115.58 148.13 39.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.236 1.014 . . . . 0.0 110.526 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 99.6 t -137.24 128.12 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 126.653 1.981 . . . . 0.0 109.037 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -115.67 111.43 20.6 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.45 1.1 . . . . 0.0 110.484 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -71.32 -21.21 62.09 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -68.04 -29.91 69.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.963 0.905 . . . . 0.0 113.248 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 68.6 p -133.48 8.19 3.91 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.401 1.48 . . . . 0.0 113.522 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 63.79 2.99 1.44 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.174 2.589 . . . . 0.0 115.512 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -73.53 170.85 14.3 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.781 1.232 . . . . 0.0 113.652 -176.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 51.3 p -143.02 165.26 27.84 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.796 1.638 . . . . 0.0 111.516 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 4.9 t -160.28 157.4 28.01 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.126 0.971 . . . . 0.0 112.392 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -79.66 -12.44 59.82 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.31 1.844 . . . . 0.0 113.812 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -148.53 -164.43 2.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.799 1.639 . . . . 0.0 111.506 -171.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -118.86 75.77 13.78 Favored Pre-proline 0 CA--C 1.549 0.915 0 O-C-N 120.935 -1.103 . . . . 0.0 110.937 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -75.08 -174.78 2.07 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 124.247 3.298 . . . . 0.0 112.496 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -47.23 145.01 3.9 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 125.414 1.486 . . . . 0.0 113.198 173.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.94 166.13 28.85 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.13 2.554 . . . . 0.0 112.592 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -128.77 124.14 4.52 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.119 1.342 . . . . 0.0 111.276 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . 38.25 56.42 4.83 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 126.539 1.936 . . . . 0.0 115.388 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 C--O 1.254 1.319 0 C-N-CA 123.951 3.101 . . . . 0.0 113.427 -179.559 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 19.8 m120 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 121.021 0.439 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 33.9 p -77.44 166.89 22.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.78 1.632 . . . . 0.0 113.511 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 114.42 176.93 19.04 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.357 1.456 . . . . 0.0 113.816 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -66.85 105.29 1.56 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.673 0.789 . . . . 0.0 110.75 171.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 20.5 tptt -141.45 -170.45 3.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.806 2.042 . . . . 0.0 110.012 -175.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -53.4 118.64 15.01 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.036 0.835 . . . . 0.0 111.196 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.1 123.43 8.33 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 122.444 2.096 . . . . 0.0 110.901 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.24 128.29 14.5 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.42 2.08 . . . . 0.0 110.441 173.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 49.9 m -152.14 85.92 1.29 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.697 1.199 . . . . 0.0 110.139 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 55.6 t80 -81.71 -88.78 0.08 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.457 0.703 . . . . 0.0 110.214 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -60.96 -31.95 71.49 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.898 -1.126 . . . . 0.0 112.313 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.96 -4.82 18.18 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 40.2 t -114.31 -41.28 3.5 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.823 1.249 . . . . 0.0 111.974 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 1.3 pt -88.15 18.73 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.176 2.19 . . . . 0.0 113.847 177.46 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 14.6 m -54.76 -25.45 27.9 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 118.382 2.734 . . . . 0.0 118.382 -160.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -126.87 16.55 7.39 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.939 1.295 . . . . 0.0 113.753 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 2.8 mp -128.48 2.35 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 C-N-CA 126.599 1.96 . . . . 0.0 110.771 -176.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.69 36.48 0.63 Allowed 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.19 -1.569 . . . . 0.0 113.348 -172.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.92 143.11 27.15 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.889 1.275 . . . . 0.0 113.456 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 98.31 174.0 32.72 Favored Glycine 0 CA--C 1.545 1.931 0 C-N-CA 125.171 1.367 . . . . 0.0 114.535 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -74.02 161.96 40.02 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 124.127 3.218 . . . . 0.0 112.685 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.71 156.06 55.93 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 123.902 0.881 . . . . 0.0 112.669 179.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.33 157.45 61.17 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.79 2.993 . . . . 0.0 113.752 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -72.11 112.68 3.48 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.028 3.152 . . . . 0.0 113.071 -170.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 64.92 27.61 72.4 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 114.858 0.703 . . . . 0.0 114.858 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -121.25 160.03 24.73 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.521 1.928 . . . . 0.0 111.135 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -128.2 150.76 49.88 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.034 1.734 . . . . 0.0 109.382 170.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -141.04 122.19 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.55 1.54 . . . . 0.0 108.422 -170.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.49 157.94 41.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.781 0.832 . . . . 0.0 111.581 -173.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -130.95 99.83 5.04 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.806 1.642 . . . . 0.0 108.846 -167.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 71.6 p -69.77 157.29 37.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.47 0.708 . . . . 0.0 112.559 -175.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.25 -13.39 27.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -73.76 -8.99 58.18 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.531 1.133 . . . . 0.0 113.78 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.81 30.63 25.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.059 0.838 . . . . 0.0 113.166 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -129.5 132.12 46.82 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.783 1.233 . . . . 0.0 111.471 -175.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 10.7 ttp85 -88.47 143.83 26.74 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.716 1.606 . . . . 0.0 111.265 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -139.22 157.01 46.67 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.888 1.675 . . . . 0.0 110.493 175.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -117.86 149.52 40.71 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.703 1.201 . . . . 0.0 110.346 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 90.2 t -135.21 125.62 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.449 1.9 . . . . 0.0 109.565 -168.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.55 100.32 9.59 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.087 1.355 . . . . 0.0 110.716 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -63.78 -18.87 64.52 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -71.45 -28.53 64.03 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.242 1.017 . . . . 0.0 113.235 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 62.3 p -133.56 4.94 3.68 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.144 1.378 . . . . 0.0 113.903 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 64.44 3.63 1.94 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.599 2.359 . . . . 0.0 114.632 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -72.78 168.34 19.01 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.17 1.388 . . . . 0.0 113.089 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 34.1 p -145.44 161.92 38.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.891 1.677 . . . . 0.0 111.363 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.8 t -158.81 160.1 35.86 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.904 0.882 . . . . 0.0 112.605 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -84.31 -11.29 56.64 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.387 1.875 . . . . 0.0 113.395 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -142.67 -168.62 2.8 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.81 1.644 . . . . 0.0 111.642 -172.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -115.27 75.0 4.23 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.485 1.114 . . . . 0.0 111.479 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -75.89 -174.24 1.97 Allowed 'Trans proline' 0 CA--C 1.545 1.05 0 C-N-CA 124.264 3.309 . . . . 0.0 112.356 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.88 138.91 3.99 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 125.594 1.558 . . . . 0.0 113.05 171.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.11 -27.14 14.18 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.987 2.458 . . . . 0.0 113.749 -175.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.23 -177.36 32.57 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.454 1.026 . . . . 0.0 114.723 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -148.18 59.98 4.84 Favored Pre-proline 0 CA--C 1.555 1.169 0 C-N-CA 125.277 1.431 . . . . 0.0 111.726 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo . . . . . 0 C--O 1.253 1.23 0 C-N-CA 124.154 3.236 . . . . 0.0 113.458 -176.387 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 37.9 p -66.26 167.59 10.07 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.55 0.74 . . . . 0.0 112.317 169.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -167.58 -143.06 3.65 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.686 1.136 . . . . 0.0 112.345 -173.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . 47.99 51.92 13.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.869 1.667 . . . . 0.0 114.118 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.58 -169.91 1.72 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.506 1.922 . . . . 0.0 111.907 -173.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -49.81 118.92 9.22 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 123.887 0.875 . . . . 0.0 111.289 170.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.44 121.12 6.89 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.268 1.979 . . . . 0.0 110.565 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.31 129.71 17.47 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.329 2.019 . . . . 0.0 110.557 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 57.8 m -152.53 87.57 1.31 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.712 1.205 . . . . 0.0 109.687 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.5 t80 -82.65 -87.16 0.1 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.52 0.728 . . . . 0.0 109.943 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.73 -35.34 74.35 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.014 -1.054 . . . . 0.0 112.895 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.58 -7.13 35.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 34.7 t -105.45 -38.85 6.33 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.211 1.004 . . . . 0.0 112.748 169.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 7.1 pt -81.18 -19.23 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 40.0 mttp . . . . . 0 C--O 1.255 1.38 0 CA-C-N 119.454 1.025 . . . . 0.0 111.393 168.812 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 55.6 t . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 118.908 -0.567 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 8.6 m -50.14 -26.96 5.05 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 118.95 2.945 . . . . 0.0 118.95 -159.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -131.69 17.73 4.75 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.749 1.22 . . . . 0.0 113.575 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.6 -19.24 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.681 1.593 . . . . 0.0 111.303 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -132.75 44.75 2.83 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.773 1.629 . . . . 0.0 111.415 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.16 152.15 25.22 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.892 1.277 . . . . 0.0 113.044 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 87.36 -177.47 47.28 Favored Glycine 0 CA--C 1.544 1.862 0 C-N-CA 124.469 1.033 . . . . 0.0 114.332 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.87 154.62 63.24 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.803 3.002 . . . . 0.0 112.321 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.28 154.68 74.55 Favored Pre-proline 0 CA--C 1.556 1.177 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.55 155.75 68.93 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 124.207 3.271 . . . . 0.0 113.745 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.26 112.92 3.55 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.879 3.053 . . . . 0.0 112.868 -171.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.24 27.46 73.0 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.866 0.706 . . . . 0.0 114.866 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -123.39 162.32 23.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.328 1.851 . . . . 0.0 111.425 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -135.15 148.48 49.75 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.066 2.146 . . . . 0.0 108.893 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -140.05 120.73 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.736 1.215 . . . . 0.0 109.109 -169.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -130.76 145.46 51.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.593 1.157 . . . . 0.0 110.089 -168.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -125.82 101.96 7.09 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.677 1.591 . . . . 0.0 108.901 -169.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 63.8 p -69.77 155.9 39.83 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.836 0.854 . . . . 0.0 112.24 -174.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.05 -12.78 28.79 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -77.99 -4.51 47.38 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.664 1.186 . . . . 0.0 113.715 171.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 86.62 30.98 19.95 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.316 0.96 . . . . 0.0 113.684 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -131.8 134.12 45.45 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.532 1.133 . . . . 0.0 111.76 -174.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -91.5 144.5 25.49 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.722 1.209 . . . . 0.0 111.403 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -137.66 160.45 39.17 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.349 1.46 . . . . 0.0 110.752 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.8 151.83 27.35 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.581 1.553 . . . . 0.0 110.592 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 96.2 t -135.19 123.61 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.954 1.702 . . . . 0.0 109.373 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.16 103.89 14.96 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.015 1.326 . . . . 0.0 110.616 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -65.3 -19.04 65.78 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -75.42 -31.96 60.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.311 1.044 . . . . 0.0 113.54 -174.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 53.2 p -130.49 6.37 4.81 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.446 1.498 . . . . 0.0 113.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 64.98 4.36 2.46 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 128.006 2.523 . . . . 0.0 114.974 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -74.62 168.17 20.31 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.377 1.471 . . . . 0.0 113.023 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 41.4 p -147.13 160.45 42.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.664 1.586 . . . . 0.0 111.488 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.2 t -159.77 158.83 31.89 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.255 1.022 . . . . 0.0 112.057 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -82.6 -19.74 37.83 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.955 1.302 . . . . 0.0 113.499 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -129.84 -171.19 2.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.057 1.343 . . . . 0.0 112.638 -169.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -115.34 76.54 5.12 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 124.603 1.161 . . . . 0.0 111.092 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.97 -173.49 1.42 Allowed 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 124.196 3.264 . . . . 0.0 112.024 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -47.98 146.22 4.32 Favored Pre-proline 0 N--CA 1.479 0.988 0 C-N-CA 124.634 1.173 . . . . 0.0 112.7 169.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -68.15 164.72 31.04 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.053 2.502 . . . . 0.0 112.675 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -66.35 169.08 33.31 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.028 0.823 . . . . 0.0 113.993 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -145.16 153.2 52.59 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 125.209 1.403 . . . . 0.0 111.631 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 C--O 1.252 1.22 0 C-N-CA 124.082 3.188 . . . . 0.0 113.275 179.015 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 2319 ' ' ASN . . . . . 0.435 ' N ' HD21 ' B' 2319 ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 11.9 p -80.15 153.64 28.52 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.166 1.386 . . . . 0.0 112.723 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 133.32 149.25 6.07 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.537 1.541 . . . . 0.0 113.643 174.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -83.31 62.78 6.89 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.176 1.391 . . . . 0.0 112.496 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -177.33 0.37 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.964 1.305 . . . . 0.0 112.527 172.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -48.92 123.03 11.8 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 123.931 0.893 . . . . 0.0 112.482 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.4 124.46 9.42 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.599 2.199 . . . . 0.0 111.349 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.64 125.07 10.8 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.722 2.281 . . . . 0.0 110.979 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 50.7 m -149.2 94.17 2.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.077 1.351 . . . . 0.0 110.045 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 47.7 t80 -89.75 -91.49 0.13 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.814 0.846 . . . . 0.0 110.307 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.46 -29.61 66.32 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.02 -1.05 . . . . 0.0 113.101 171.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.62 -18.71 65.51 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.8 t -97.47 -43.37 7.29 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.444 1.097 . . . . 0.0 112.243 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 11.4 pt -82.07 25.99 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -174.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 20.9 pttp . . . . . 0 C--O 1.255 1.374 0 C-N-CA 126.159 1.784 . . . . 0.0 113.464 -178.857 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 7.0 m -53.87 -26.81 26.57 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 -159.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.62 15.06 7.05 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.733 1.213 . . . . 0.0 113.718 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.72 -18.86 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.063 1.745 . . . . 0.0 111.023 -175.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -124.65 51.1 1.65 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.371 1.868 . . . . 0.0 110.216 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.49 -177.5 0.31 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.095 1.758 . . . . 0.0 112.811 173.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -54.98 164.95 3.36 Favored Glycine 0 CA--C 1.548 2.118 0 C-N-CA 124.798 1.189 . . . . 0.0 115.391 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.48 149.85 87.42 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.82 3.013 . . . . 0.0 113.236 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.36 152.08 96.52 Favored Pre-proline 0 CA--C 1.556 1.188 0 C-N-CA 123.638 0.775 . . . . 0.0 113.027 -174.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.33 154.95 72.47 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 123.538 2.826 . . . . 0.0 113.559 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.94 114.46 3.9 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.929 3.086 . . . . 0.0 113.138 -168.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.27 29.84 76.27 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 123.78 0.705 . . . . 0.0 114.665 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -121.79 162.66 20.48 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.301 1.84 . . . . 0.0 111.708 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -131.42 150.04 52.3 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.891 1.676 . . . . 0.0 109.441 169.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -141.32 122.6 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.418 1.487 . . . . 0.0 108.061 -170.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -129.95 158.66 38.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.524 1.129 . . . . 0.0 110.959 -172.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -131.96 104.19 6.71 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.783 1.633 . . . . 0.0 108.58 -170.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 61.6 p -71.99 158.28 36.27 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.471 0.653 . . . . 0.0 111.968 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.73 60.61 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.78 -13.23 62.27 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 168.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 95.69 19.67 28.82 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.192 1.377 . . . . 0.0 113.873 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -117.44 129.92 56.14 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.62 1.21 . . . . 0.0 111.557 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -84.19 141.0 31.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.063 0.945 . . . . 0.0 111.229 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -138.92 160.18 40.37 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.707 1.603 . . . . 0.0 110.496 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -118.24 149.89 40.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.496 1.519 . . . . 0.0 110.192 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.52 124.98 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.866 1.666 . . . . 0.0 109.831 -174.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -99.18 106.87 19.09 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.21 1.404 . . . . 0.0 110.418 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -68.63 -20.59 64.48 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.85 -30.81 68.39 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.615 1.166 . . . . 0.0 113.164 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.3 p -134.7 5.8 3.42 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.722 1.609 . . . . 0.0 113.673 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 63.9 7.02 3.04 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.572 2.349 . . . . 0.0 115.461 -174.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -68.88 164.84 21.16 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.409 1.484 . . . . 0.0 113.373 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 12.3 p -146.24 157.03 43.79 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.975 1.71 . . . . 0.0 111.835 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 1.8 t -157.87 146.39 19.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.275 1.03 . . . . 0.0 111.399 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -74.22 -37.73 63.75 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.167 0.987 . . . . 0.0 112.494 173.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -105.88 -174.71 2.6 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.671 1.588 . . . . 0.0 111.239 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -115.6 76.97 5.83 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.94 1.296 . . . . 0.0 111.04 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.71 -164.04 0.21 Allowed 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 125.004 3.803 . . . . 0.0 112.373 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -115.68 64.34 2.22 Favored Pre-proline 0 N--CA 1.478 0.959 0 C-N-CA 125.986 1.714 . . . . 0.0 112.554 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.56 -13.7 37.95 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.14 2.56 . . . . 0.0 113.793 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -76.82 -14.36 82.65 Favored Glycine 0 CA--C 1.541 1.683 0 C-N-CA 124.628 1.109 . . . . 0.0 114.49 171.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -68.68 154.25 94.87 Favored Pre-proline 0 CA--C 1.554 1.129 0 CA-C-N 118.754 1.277 . . . . 0.0 112.073 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--O 1.252 1.219 0 C-N-CA 123.794 2.996 . . . . 0.0 113.236 177.851 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 19.6 p -71.46 86.42 0.86 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.305 1.442 . . . . 0.0 112.892 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -174.77 42.38 0.13 Allowed Glycine 0 CA--C 1.533 1.2 0 O-C-N 121.68 -0.638 . . . . 0.0 114.519 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -136.49 135.18 38.36 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.763 1.282 . . . . 0.0 112.367 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 16.7 tptp -142.89 -12.59 0.75 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.45 1.5 . . . . 0.0 114.353 -178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -140.49 135.35 15.82 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 126.285 1.834 . . . . 0.0 109.133 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.54 128.61 12.84 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.354 2.036 . . . . 0.0 110.991 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.99 120.29 6.94 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.534 2.156 . . . . 0.0 110.508 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 69.0 m -147.89 89.13 1.72 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.937 1.295 . . . . 0.0 109.825 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 81.0 t80 -88.93 -86.31 0.18 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.85 0.86 . . . . 0.0 109.288 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.42 -34.58 75.63 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.35 1.46 . . . . 0.0 112.293 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -69.03 -16.59 63.74 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.704 1.202 . . . . 0.0 114.127 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.1 t -97.91 -41.4 8.03 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.085 0.954 . . . . 0.0 111.99 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.9 pt -79.52 27.01 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 -177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.259 1.555 0 C-N-CA 126.502 1.921 . . . . 0.0 113.754 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 118.686 -0.674 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 8.5 m -50.52 -24.53 3.24 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 -159.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -135.16 17.28 3.45 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.198 1.399 . . . . 0.0 113.788 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.3 mp -127.67 -9.71 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 126.175 1.79 . . . . 0.0 111.416 -175.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -132.5 35.49 3.63 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 126.424 1.889 . . . . 0.0 111.136 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.47 149.06 26.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.054 1.342 . . . . 0.0 113.49 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 79.85 -178.7 53.65 Favored Glycine 0 CA--C 1.545 1.925 0 C-N-CA 124.551 1.072 . . . . 0.0 114.385 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.52 152.39 65.34 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.55 2.834 . . . . 0.0 112.079 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.38 154.3 91.88 Favored Pre-proline 0 CA--C 1.555 1.144 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.92 154.85 71.81 Favored 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.594 2.863 . . . . 0.0 113.518 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -72.13 112.51 3.44 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.92 3.08 . . . . 0.0 113.043 -169.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.41 73.11 Favored Glycine 0 CA--C 1.538 1.523 0 N-CA-C 114.874 0.71 . . . . 0.0 114.874 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -124.71 160.76 27.85 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.28 1.832 . . . . 0.0 111.418 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -126.94 151.83 47.97 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.102 1.761 . . . . 0.0 109.293 168.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -141.26 122.62 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.364 1.466 . . . . 0.0 108.073 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.63 161.18 33.31 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.614 0.766 . . . . 0.0 111.433 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -129.75 102.94 6.55 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.434 1.494 . . . . 0.0 108.647 -172.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 42.4 p -69.22 145.27 53.33 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.619 -0.675 . . . . 0.0 111.033 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -58.17 -20.83 44.04 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -71.33 -10.08 59.18 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.293 1.437 . . . . 0.0 114.647 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 105.03 34.86 3.33 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 115.576 0.99 . . . . 0.0 115.576 170.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -137.86 153.44 49.58 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.925 1.363 . . . . 0.0 112.446 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -103.86 142.55 34.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.385 1.474 . . . . 0.0 110.973 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -138.85 159.52 41.92 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.127 1.771 . . . . 0.0 111.019 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -121.32 147.71 45.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.85 1.26 . . . . 0.0 110.551 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.22 124.2 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.364 1.866 . . . . 0.0 109.763 -167.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -105.17 105.8 16.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.33 1.452 . . . . 0.0 110.6 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -69.54 -17.63 63.59 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -72.11 -31.21 65.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.172 0.989 . . . . 0.0 113.012 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 59.8 p -135.96 7.58 3.2 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.71 1.604 . . . . 0.0 113.542 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 65.33 10.02 6.16 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.986 2.514 . . . . 0.0 114.968 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -75.24 166.45 23.6 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.106 1.362 . . . . 0.0 113.027 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 24.3 p -145.6 156.78 43.89 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.744 1.618 . . . . 0.0 111.297 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.4 t -157.15 161.83 39.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.69 0.796 . . . . 0.0 112.528 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.75 -13.41 51.34 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.305 1.842 . . . . 0.0 113.279 -175.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -151.74 -165.14 2.15 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.049 1.739 . . . . 0.0 111.537 -172.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -118.99 76.91 15.1 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 124.644 1.178 . . . . 0.0 111.146 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -74.43 178.06 7.54 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 124.03 3.154 . . . . 0.0 112.733 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -53.8 151.64 11.36 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 124.282 1.033 . . . . 0.0 112.575 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.75 -16.15 29.9 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.456 2.771 . . . . 0.0 114.822 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 92.76 87.73 1.55 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.317 0.961 . . . . 0.0 112.161 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -131.17 59.93 49.42 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 125.073 1.349 . . . . 0.0 112.573 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--O 1.254 1.323 0 C-N-CA 124.067 3.178 . . . . 0.0 113.325 178.887 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.725 0.298 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 28.2 p -135.26 163.97 28.78 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.101 1.76 . . . . 0.0 110.714 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -119.73 167.7 13.5 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.465 1.031 . . . . 0.0 114.077 -175.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -76.0 60.07 1.36 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.04 1.736 . . . . 0.0 113.382 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -178.72 0.37 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.823 1.649 . . . . 0.0 112.097 170.038 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -50.1 133.54 23.06 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 124.014 0.926 . . . . 0.0 112.202 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.41 131.53 21.93 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.446 2.097 . . . . 0.0 111.208 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.67 124.39 10.67 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.723 2.282 . . . . 0.0 110.779 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 74.2 m -147.82 83.23 1.52 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.188 1.395 . . . . 0.0 109.918 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 72.3 t80 -81.97 -87.86 0.09 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.431 0.692 . . . . 0.0 110.303 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.23 -37.64 80.96 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.01 -1.056 . . . . 0.0 112.355 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.81 -10.46 37.92 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 43.8 t -98.33 -42.55 7.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.255 1.022 . . . . 0.0 112.246 168.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 12.0 pt -83.9 -8.5 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 8.1 ptpt . . . . . 0 C--O 1.254 1.299 0 C-N-CA 125.121 1.369 . . . . 0.0 113.887 172.417 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.497 1.903 0 CA-C-O 118.798 -0.62 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 7.1 m -52.33 -21.12 3.22 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.965 2.95 . . . . 0.0 118.965 -159.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -134.96 16.92 3.5 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.249 1.419 . . . . 0.0 113.598 175.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 4.1 mp -125.28 -18.43 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.024 1.729 . . . . 0.0 111.349 -175.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -122.0 25.61 9.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.697 1.599 . . . . 0.0 112.226 -177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.79 137.89 49.04 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.483 1.513 . . . . 0.0 113.27 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 166.47 -175.18 41.92 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.117 1.342 . . . . 0.0 113.203 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.46 156.64 65.28 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.569 2.846 . . . . 0.0 112.279 175.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.46 152.32 94.87 Favored Pre-proline 0 CA--C 1.555 1.158 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -177.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.89 152.23 80.81 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.507 2.805 . . . . 0.0 113.568 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.29 112.36 3.31 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.874 3.049 . . . . 0.0 113.037 -168.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 71.08 23.73 77.79 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 114.975 0.75 . . . . 0.0 114.975 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -120.21 162.81 18.75 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.959 1.704 . . . . 0.0 111.686 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -131.28 152.87 50.13 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.326 1.851 . . . . 0.0 109.363 170.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.7 mp -141.11 131.98 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.52 1.528 . . . . 0.0 108.7 -170.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -132.69 151.62 51.92 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.842 1.257 . . . . 0.0 110.761 -171.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -125.26 98.94 5.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.856 1.663 . . . . 0.0 108.98 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 53.8 p -75.79 157.01 33.98 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.319 0.647 . . . . 0.0 112.529 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.99 58.95 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -72.4 -9.24 58.27 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 170.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.38 29.12 22.97 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.525 1.06 . . . . 0.0 113.08 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -124.94 122.52 37.59 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.671 1.188 . . . . 0.0 111.114 -172.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -82.6 143.19 31.18 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.666 1.186 . . . . 0.0 111.237 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -140.51 162.61 34.95 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.219 1.408 . . . . 0.0 111.037 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -119.31 154.04 34.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.797 1.639 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 91.0 t -140.18 126.88 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 126.374 1.869 . . . . 0.0 109.518 -170.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -108.83 105.96 15.76 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.113 1.365 . . . . 0.0 110.652 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -69.16 -15.6 63.45 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -73.73 -30.45 62.83 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.202 -0.936 . . . . 0.0 113.029 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 50.1 p -136.22 3.08 2.84 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 125.328 1.451 . . . . 0.0 113.898 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 66.36 5.99 4.04 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.676 2.39 . . . . 0.0 115.156 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -65.93 161.91 20.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.766 1.626 . . . . 0.0 112.618 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 82.3 p -146.48 163.87 34.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.511 1.524 . . . . 0.0 111.205 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 8.6 t -161.67 161.54 29.54 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.884 0.874 . . . . 0.0 112.782 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -90.32 -9.29 48.32 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.496 1.918 . . . . 0.0 113.105 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -134.82 -170.46 2.57 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.77 1.228 . . . . 0.0 112.89 -174.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -117.8 73.07 8.66 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.9 1.28 . . . . 0.0 111.593 -175.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.44 177.93 7.72 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 124.047 3.165 . . . . 0.0 112.462 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -56.0 151.23 25.92 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 124.379 1.072 . . . . 0.0 112.169 171.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.75 -12.04 24.17 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.432 2.754 . . . . 0.0 114.69 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -106.97 161.07 13.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.976 1.274 . . . . 0.0 113.307 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -65.81 151.44 94.95 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 124.291 1.036 . . . . 0.0 113.02 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 C--O 1.253 1.235 0 C-N-CA 124.039 3.159 . . . . 0.0 113.252 176.17 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 2319 ' ' ASN . . . . . 0.412 ' N ' HD21 ' B' 2319 ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 40.8 p -141.9 162.9 34.33 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.491 1.516 . . . . 0.0 112.22 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 173.64 -72.3 0.09 OUTLIER Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.621 1.105 . . . . 0.0 112.083 173.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . 45.34 39.14 4.09 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.36 2.264 . . . . 0.0 115.014 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -90.08 12.71 16.95 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.759 1.224 . . . . 0.0 113.847 -172.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -135.05 98.41 12.94 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.009 1.724 . . . . 0.0 109.742 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.62 123.21 10.23 Favored 'Trans proline' 0 CA--C 1.547 1.136 0 C-N-CA 122.582 2.188 . . . . 0.0 111.404 -176.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.72 122.24 8.04 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.865 2.377 . . . . 0.0 111.386 177.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.6 m -148.07 87.6 1.62 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.254 1.422 . . . . 0.0 110.214 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 63.6 t80 -88.78 -87.86 0.16 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.614 0.765 . . . . 0.0 110.476 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.21 -30.71 71.28 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.911 -1.118 . . . . 0.0 112.73 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.62 -7.69 41.04 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.7 t -105.65 -41.53 5.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.957 1.303 . . . . 0.0 112.337 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 30.6 pt -79.76 6.08 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 61.1 mttm . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.507 1.923 . . . . 0.0 111.277 173.263 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.654 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 12.3 m -49.3 -30.73 7.83 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 -158.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.4 16.18 6.03 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.043 1.337 . . . . 0.0 113.692 175.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.03 -7.4 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.997 1.719 . . . . 0.0 111.387 -173.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -128.92 29.65 5.18 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.712 1.605 . . . . 0.0 112.16 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -103.86 -177.32 3.33 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.704 1.601 . . . . 0.0 112.924 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -69.2 -176.24 13.42 Favored Glycine 0 CA--C 1.546 2.008 0 C-N-CA 125.489 1.518 . . . . 0.0 115.148 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -67.72 152.22 78.03 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.959 3.106 . . . . 0.0 113.083 -175.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.77 155.39 87.0 Favored Pre-proline 0 CA--C 1.556 1.195 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -177.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.68 156.83 64.19 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 C-N-CA 123.785 2.99 . . . . 0.0 113.629 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.13 113.76 3.78 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.016 3.144 . . . . 0.0 113.064 -170.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.01 26.75 71.57 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.852 0.701 . . . . 0.0 114.852 176.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -120.94 161.08 22.19 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.424 1.89 . . . . 0.0 111.029 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -130.51 151.2 51.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.165 1.786 . . . . 0.0 109.285 172.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -141.44 123.52 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 125.268 1.427 . . . . 0.0 108.509 -169.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -130.48 156.61 44.49 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.583 1.153 . . . . 0.0 110.993 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -128.44 93.07 3.55 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.308 1.443 . . . . 0.0 108.972 -169.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 25.9 p -66.18 145.25 56.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.075 0.95 . . . . 0.0 111.577 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -60.96 -14.72 24.54 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -176.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.07 -10.94 16.33 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.358 1.463 . . . . 0.0 114.65 167.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 90.39 38.33 6.31 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.57 1.081 . . . . 0.0 113.218 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -136.42 158.03 45.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.359 1.463 . . . . 0.0 111.26 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -112.9 139.86 48.19 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.201 1.401 . . . . 0.0 110.358 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -135.8 157.25 47.31 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.631 1.572 . . . . 0.0 110.405 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -116.95 149.8 39.58 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 125.258 1.423 . . . . 0.0 110.3 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 82.4 t -136.41 126.23 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 126.654 1.982 . . . . 0.0 108.783 -168.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -109.08 116.58 32.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.715 1.206 . . . . 0.0 109.965 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -78.05 -16.71 57.82 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -72.61 -33.88 66.98 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.829 1.252 . . . . 0.0 113.09 -173.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 52.9 p -132.62 10.09 4.33 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.723 1.609 . . . . 0.0 113.224 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 67.58 7.8 5.89 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.524 2.33 . . . . 0.0 114.768 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -67.05 163.95 18.89 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.49 1.516 . . . . 0.0 113.768 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 16.7 p -145.76 156.47 43.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.092 1.757 . . . . 0.0 111.509 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.7 t -158.52 156.29 29.97 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.141 0.977 . . . . 0.0 112.246 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -86.88 -17.25 33.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.319 1.447 . . . . 0.0 113.428 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -120.03 -168.8 1.67 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.997 1.319 . . . . 0.0 111.674 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.64 74.16 8.83 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.292 1.037 . . . . 0.0 110.789 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -75.15 -171.31 0.96 Allowed 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 124.36 3.373 . . . . 0.0 112.117 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -46.4 145.26 2.87 Favored Pre-proline 0 N--CA 1.478 0.975 0 C-N-CA 125.197 1.399 . . . . 0.0 113.078 172.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.27 -23.88 20.38 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.727 2.285 . . . . 0.0 113.186 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 142.84 -115.34 0.92 Allowed Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.365 1.46 . . . . 0.0 111.668 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -146.82 65.12 9.7 Favored Pre-proline 0 CA--C 1.557 1.213 0 C-N-CA 126.229 1.812 . . . . 0.0 111.376 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 C--O 1.253 1.235 0 C-N-CA 124.159 3.239 . . . . 0.0 113.533 -178.014 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 120.893 0.377 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 26.2 p -137.69 15.31 2.92 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.961 1.305 . . . . 0.0 113.601 -174.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 73.43 31.18 61.32 Favored Glycine 0 CA--C 1.536 1.392 0 O-C-N 121.045 -1.034 . . . . 0.0 114.269 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -135.51 143.22 45.66 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.241 1.416 . . . . 0.0 111.711 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 4.5 tptt -153.55 178.54 9.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.941 2.096 . . . . 0.0 109.941 176.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.72 119.6 45.58 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-O 118.612 -0.709 . . . . 0.0 110.417 168.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -73.07 129.9 14.74 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.144 1.896 . . . . 0.0 110.463 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.05 131.36 23.6 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.219 1.946 . . . . 0.0 110.156 172.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 35.1 m -159.25 74.09 0.62 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.127 1.371 . . . . 0.0 109.919 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.9 t80 -74.71 -83.0 0.06 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.261 0.624 . . . . 0.0 110.775 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -63.66 -37.13 86.18 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.179 -0.951 . . . . 0.0 112.449 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.82 -19.14 65.78 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 41.3 t -87.59 -42.32 12.8 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.611 0.764 . . . . 0.0 112.238 170.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.7 pt -83.24 -8.68 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -173.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 11.0 ptmt . . . . . 0 N--CA 1.482 1.169 0 C-N-CA 124.991 1.316 . . . . 0.0 113.696 -179.793 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 9.6 m -49.43 -27.91 4.64 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.303 2.705 . . . . 0.0 118.303 -162.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -129.65 17.68 5.79 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.489 1.515 . . . . 0.0 113.49 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.1 mp -127.93 -7.55 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 125.967 1.707 . . . . 0.0 111.584 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.96 47.97 1.41 Allowed 'General case' 0 CA--C 1.547 0.856 0 O-C-N 120.381 -1.449 . . . . 0.0 113.21 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.27 146.99 26.7 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.6 1.16 . . . . 0.0 113.119 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 113.4 176.65 19.4 Favored Glycine 0 CA--C 1.544 1.855 0 C-N-CA 125.179 1.371 . . . . 0.0 114.727 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -73.21 162.35 40.79 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 124.203 3.268 . . . . 0.0 112.662 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.98 155.79 58.07 Favored Pre-proline 0 CA--C 1.556 1.192 0 C-N-CA 123.842 0.857 . . . . 0.0 112.901 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.26 157.2 62.26 Favored 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 123.859 3.039 . . . . 0.0 113.839 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.45 114.89 4.13 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.997 3.132 . . . . 0.0 113.128 -170.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 64.52 26.19 70.66 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 114.912 0.725 . . . . 0.0 114.912 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -120.14 159.91 23.92 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.254 1.822 . . . . 0.0 111.018 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -129.18 150.05 50.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.271 1.828 . . . . 0.0 108.85 170.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -144.03 126.21 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.868 1.267 . . . . 0.0 108.69 -169.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -133.66 161.58 34.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.798 0.839 . . . . 0.0 112.484 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -131.06 98.32 4.55 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.046 1.738 . . . . 0.0 109.054 -167.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 68.2 p -74.57 152.54 39.28 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.583 -0.698 . . . . 0.0 111.603 -177.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.14 -17.33 25.96 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.45 -12.16 55.78 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 170.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.64 38.69 6.49 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.254 0.93 . . . . 0.0 113.306 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -133.75 146.83 51.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.323 1.449 . . . . 0.0 111.027 -174.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.09 140.37 41.38 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.853 1.261 . . . . 0.0 110.851 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.06 152.37 49.98 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.392 1.477 . . . . 0.0 110.756 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -114.16 148.2 37.64 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.61 1.164 . . . . 0.0 110.5 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.86 124.88 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 126.601 1.96 . . . . 0.0 109.297 -170.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -106.45 119.41 39.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.941 1.296 . . . . 0.0 110.291 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -79.16 -15.66 57.77 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -73.59 -32.13 63.95 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.559 1.144 . . . . 0.0 112.99 -175.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 54.6 p -133.85 9.62 3.89 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.483 1.513 . . . . 0.0 113.578 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 64.86 11.14 6.7 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.242 2.217 . . . . 0.0 114.463 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -72.4 166.13 23.18 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.139 1.776 . . . . 0.0 113.814 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 41.2 p -145.93 163.01 36.47 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.661 1.585 . . . . 0.0 111.592 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.2 t -161.69 160.96 29.23 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.181 0.993 . . . . 0.0 112.345 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -82.92 -14.33 54.36 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.274 1.83 . . . . 0.0 113.542 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -148.92 -165.89 2.41 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.936 1.694 . . . . 0.0 111.395 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -117.79 75.97 10.46 Favored Pre-proline 0 CA--C 1.549 0.91 0 O-C-N 120.957 -1.089 . . . . 0.0 111.135 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -73.61 -179.9 4.95 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.022 3.148 . . . . 0.0 112.538 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -52.15 147.45 13.19 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.706 1.203 . . . . 0.0 112.294 172.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.54 106.19 1.03 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.635 2.89 . . . . 0.0 111.702 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 136.91 39.13 0.14 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.746 1.165 . . . . 0.0 114.187 -177.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -56.1 145.71 54.0 Favored Pre-proline 0 CA--C 1.557 1.224 0 CA-C-N 118.427 1.113 . . . . 0.0 112.471 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.253 1.249 0 C-N-CA 124.208 3.272 . . . . 0.0 114.023 -167.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 2319 ' ' ASN . . . . . 0.445 ' N ' HD21 ' B' 2319 ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 7.0 p -70.56 164.39 24.94 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.314 1.445 . . . . 0.0 114.256 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 91.86 166.82 39.99 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.426 1.489 . . . . 0.0 112.883 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -63.87 142.2 58.49 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.881 -0.776 . . . . 0.0 111.05 171.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 17.8 tptt -144.28 -170.42 3.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.137 1.775 . . . . 0.0 110.109 -176.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -50.6 113.53 3.74 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 123.923 0.889 . . . . 0.0 111.508 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -74.07 122.95 8.0 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.385 2.057 . . . . 0.0 110.908 -174.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.99 119.07 6.05 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.275 1.983 . . . . 0.0 110.675 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 71.0 m -146.13 87.19 1.73 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.548 1.539 . . . . 0.0 109.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -83.24 -86.47 0.11 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.531 0.733 . . . . 0.0 109.724 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.19 -37.24 79.64 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.295 -0.878 . . . . 0.0 112.411 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.85 -20.12 63.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.5 t -91.59 -44.55 8.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.069 0.948 . . . . 0.0 112.133 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.2 pt -82.17 -11.57 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -171.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 10.0 ptmt . . . . . 0 C--O 1.252 1.228 0 CA-C-N 119.879 1.218 . . . . 0.0 114.175 -177.696 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 118.725 -0.655 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 9.6 m -48.25 -30.76 5.06 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 118.807 2.892 . . . . 0.0 118.807 -159.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.93 14.04 6.84 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.798 1.239 . . . . 0.0 113.818 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.6 mp -121.46 -15.7 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.04 1.736 . . . . 0.0 111.35 -174.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -131.76 45.13 2.83 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.189 1.796 . . . . 0.0 110.578 -177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.1 149.57 36.76 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.478 1.111 . . . . 0.0 113.096 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 92.56 177.98 41.23 Favored Glycine 0 CA--C 1.544 1.904 0 C-N-CA 124.831 1.205 . . . . 0.0 114.395 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.45 158.45 51.21 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.882 3.055 . . . . 0.0 112.569 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.14 155.83 63.63 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 123.702 0.801 . . . . 0.0 112.774 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.14 156.48 64.85 Favored 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 124.238 3.292 . . . . 0.0 113.734 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -72.27 113.76 3.79 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.931 3.087 . . . . 0.0 112.862 -172.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.07 27.24 72.05 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -123.89 162.89 22.4 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.651 1.98 . . . . 0.0 111.049 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -131.22 154.69 48.17 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.273 1.829 . . . . 0.0 109.876 171.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.17 127.94 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.918 1.687 . . . . 0.0 108.433 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -131.71 155.6 47.39 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.522 1.129 . . . . 0.0 110.507 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -130.84 109.59 10.68 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.405 1.482 . . . . 0.0 108.012 -174.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 43.5 p -69.49 154.84 41.4 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.296 0.57 . . . . 0.0 111.528 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.48 33.47 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -79.96 -8.93 59.6 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.004 1.322 . . . . 0.0 113.597 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 99.43 24.55 10.08 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.524 1.059 . . . . 0.0 115.029 172.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -127.17 136.91 52.72 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.189 1.495 . . . . 0.0 112.515 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.24 141.7 28.45 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.671 1.189 . . . . 0.0 111.192 177.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -139.04 159.53 41.92 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.389 1.475 . . . . 0.0 110.744 172.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -108.4 152.26 24.91 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.997 1.319 . . . . 0.0 110.812 174.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 95.9 t -134.69 126.01 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 126.207 1.803 . . . . 0.0 109.164 -173.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -108.04 116.59 32.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.786 1.235 . . . . 0.0 109.883 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -79.87 -14.96 58.26 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -74.4 -32.92 62.87 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.243 1.417 . . . . 0.0 112.692 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 71.1 p -132.33 8.28 4.3 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.998 1.719 . . . . 0.0 113.233 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 68.99 4.07 4.34 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.863 2.465 . . . . 0.0 114.906 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -71.78 165.79 23.34 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.286 1.435 . . . . 0.0 113.199 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 20.8 p -145.84 157.41 43.92 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.8 1.64 . . . . 0.0 111.384 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 9.7 t -158.13 155.75 29.69 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.744 0.818 . . . . 0.0 112.398 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -89.36 -21.08 23.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.458 1.503 . . . . 0.0 113.314 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -113.7 -171.21 1.85 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.547 1.539 . . . . 0.0 111.266 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -116.98 75.53 7.59 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 124.244 1.018 . . . . 0.0 111.092 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.09 177.78 7.36 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 124.09 3.193 . . . . 0.0 112.556 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -54.16 152.03 11.88 Favored Pre-proline 0 N--CA 1.478 0.958 0 C-N-CA 124.114 0.966 . . . . 0.0 112.577 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.74 -9.0 25.03 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.857 3.038 . . . . 0.0 114.516 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -148.53 114.77 0.7 Allowed Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.333 1.444 . . . . 0.0 111.044 172.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.54 -45.54 83.29 Favored Pre-proline 0 CA--C 1.556 1.202 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo . . . . . 0 C--O 1.253 1.257 0 C-N-CA 122.824 2.349 . . . . 0.0 112.995 176.015 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 9.4 m120 . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 28.4 p -140.85 155.74 46.28 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.84 1.256 . . . . 0.0 112.41 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 130.47 98.95 0.83 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 125.004 1.287 . . . . 0.0 111.551 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -56.05 136.21 52.36 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 117.632 0.716 . . . . 0.0 111.653 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 15.7 tptt -134.22 -172.92 3.12 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.079 1.752 . . . . 0.0 110.644 -177.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -51.67 124.16 25.62 Favored Pre-proline 0 CA--C 1.546 0.806 0 CA-C-O 118.74 -0.648 . . . . 0.0 110.994 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.24 131.67 24.04 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 122.261 1.974 . . . . 0.0 110.92 -173.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.45 123.14 10.18 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 122.509 2.139 . . . . 0.0 110.461 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 75.4 m -148.22 90.97 1.86 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.188 1.395 . . . . 0.0 109.472 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 65.6 t80 -87.66 -87.74 0.15 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.662 0.785 . . . . 0.0 109.701 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.63 -41.87 74.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.336 1.055 . . . . 0.0 111.756 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.56 -13.74 61.42 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.6 t -94.14 -44.81 7.82 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.873 0.869 . . . . 0.0 112.008 169.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 16.3 pt -82.92 -18.3 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -171.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 43.3 mtpt . . . . . 0 C--O 1.252 1.186 0 CA-C-N 119.732 1.151 . . . . 0.0 112.519 169.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 118.329 -0.843 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 7.2 m -43.5 -33.24 1.06 Allowed 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 119.051 2.982 . . . . 0.0 119.051 -159.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.79 19.59 2.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.71 1.204 . . . . 0.0 113.671 174.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.6 mp -128.04 -80.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.6 1.16 . . . . 0.0 109.919 -173.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 48.17 31.15 2.43 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 126.399 1.88 . . . . 0.0 114.731 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -83.47 -176.01 6.1 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.29 1.436 . . . . 0.0 112.556 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -68.3 -171.04 6.12 Favored Glycine 0 CA--C 1.547 2.058 0 C-N-CA 125.529 1.538 . . . . 0.0 115.113 173.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.99 155.91 65.52 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.755 2.97 . . . . 0.0 113.175 -176.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.83 153.45 91.17 Favored Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 124.101 0.96 . . . . 0.0 113.204 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.57 153.8 75.33 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 123.498 2.798 . . . . 0.0 113.75 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.01 112.62 3.34 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.964 3.11 . . . . 0.0 113.058 -168.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.37 25.13 71.14 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.882 0.753 . . . . 0.0 114.792 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -117.93 160.04 22.11 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.207 1.803 . . . . 0.0 111.214 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -127.32 153.01 46.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.392 1.877 . . . . 0.0 109.036 168.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.4 mp -141.93 131.95 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.313 1.445 . . . . 0.0 108.499 -174.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -132.88 153.94 50.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.821 0.848 . . . . 0.0 111.755 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -119.49 99.96 6.99 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.373 1.869 . . . . 0.0 108.566 -175.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 48.4 p -75.63 153.36 37.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.302 0.641 . . . . 0.0 111.555 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.14 -13.53 37.95 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.89 -9.0 56.88 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.365 1.066 . . . . 0.0 113.84 170.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.05 35.33 9.86 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.234 0.921 . . . . 0.0 112.425 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -131.21 119.43 21.83 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.664 1.186 . . . . 0.0 111.215 -171.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -82.63 136.17 34.86 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.636 1.574 . . . . 0.0 110.674 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.52 155.4 50.56 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.371 1.469 . . . . 0.0 110.578 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -115.02 148.58 38.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.267 1.427 . . . . 0.0 110.45 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.29 124.53 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 126.582 1.953 . . . . 0.0 109.153 -170.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -106.77 120.53 42.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.801 1.24 . . . . 0.0 110.211 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -83.19 -11.27 58.02 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -75.66 -32.02 60.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.57 1.148 . . . . 0.0 112.552 -176.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 55.1 p -135.52 9.61 3.41 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.612 1.565 . . . . 0.0 113.636 177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 69.13 3.65 4.18 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.553 2.341 . . . . 0.0 114.524 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -68.33 163.72 22.4 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.871 1.668 . . . . 0.0 113.597 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 14.3 p -147.34 157.15 43.47 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.611 1.564 . . . . 0.0 111.87 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 6.5 t -159.4 158.5 32.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.202 1.001 . . . . 0.0 112.26 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -89.76 -11.93 40.8 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.654 1.582 . . . . 0.0 113.28 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -129.18 -169.38 2.08 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.12 1.368 . . . . 0.0 111.799 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -118.56 72.03 10.18 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.131 0.972 . . . . 0.0 111.072 -177.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.88 174.17 12.78 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.145 3.23 . . . . 0.0 112.491 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -56.83 148.89 46.03 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.299 1.039 . . . . 0.0 112.221 172.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.12 169.05 18.98 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.613 2.875 . . . . 0.0 112.931 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -137.65 -57.47 0.05 OUTLIER Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.316 0.96 . . . . 0.0 113.848 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -152.45 61.22 3.83 Favored Pre-proline 0 CA--C 1.557 1.22 0 C-N-CA 124.238 1.015 . . . . 0.0 113.365 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo . . . . . 0 C--O 1.252 1.189 0 C-N-CA 123.491 2.794 . . . . 0.0 112.9 174.307 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 6.7 m120 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 27.9 p -144.61 165.87 26.79 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.814 1.645 . . . . 0.0 111.753 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 98.28 47.87 1.95 Allowed Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.054 0.835 . . . . 0.0 113.944 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -40.77 115.63 0.6 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.404 1.882 . . . . 0.0 114.423 -172.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 43.1 tptt -120.85 -6.92 9.57 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.202 1.401 . . . . 0.0 113.709 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -131.62 98.62 17.85 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 125.709 1.604 . . . . 0.0 109.776 -170.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.7 121.61 8.69 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.45 2.1 . . . . 0.0 111.065 -177.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.22 119.92 6.46 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.577 2.184 . . . . 0.0 111.135 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 68.1 m -144.21 93.53 2.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.16 1.384 . . . . 0.0 109.898 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 71.9 t80 -90.07 -87.77 0.18 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.955 0.902 . . . . 0.0 109.462 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.23 -36.8 76.09 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.114 -0.991 . . . . 0.0 112.292 173.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.97 -13.51 57.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 41.8 t -98.81 -41.59 7.57 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.392 1.077 . . . . 0.0 112.162 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.7 pt -85.83 -18.74 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -172.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 51.2 mtpt . . . . . 0 C--O 1.252 1.223 0 CA-C-N 119.731 1.15 . . . . 0.0 112.639 172.629 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 118.488 -0.768 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 12.8 m -49.86 -29.74 8.67 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -158.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.61 17.64 5.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.901 1.28 . . . . 0.0 113.724 175.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.0 -16.86 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.876 1.671 . . . . 0.0 111.408 -174.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -116.17 10.63 14.98 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.377 1.471 . . . . 0.0 113.021 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -74.8 -175.55 2.54 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.744 1.618 . . . . 0.0 113.443 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -65.16 179.98 8.25 Favored Glycine 0 CA--C 1.548 2.115 0 C-N-CA 125.617 1.579 . . . . 0.0 115.68 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -68.13 151.35 77.22 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.108 3.205 . . . . 0.0 113.355 -173.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.55 155.83 75.97 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 123.954 0.902 . . . . 0.0 113.204 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.12 156.42 65.87 Favored 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.833 3.022 . . . . 0.0 113.653 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.41 114.03 3.88 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 124.047 3.165 . . . . 0.0 113.047 -170.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.73 26.18 73.0 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 114.946 0.739 . . . . 0.0 114.946 175.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -121.12 162.34 20.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.479 1.911 . . . . 0.0 111.284 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -131.5 151.02 51.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.219 1.808 . . . . 0.0 109.447 172.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -143.0 124.39 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.162 1.385 . . . . 0.0 108.603 -167.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -131.76 160.13 36.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.317 1.047 . . . . 0.0 111.323 -172.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -134.55 98.88 4.19 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.518 1.527 . . . . 0.0 109.18 -170.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 60.5 p -73.08 156.25 38.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.363 0.665 . . . . 0.0 112.212 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.45 -19.64 49.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -64.4 -13.11 49.29 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 169.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.57 38.09 6.74 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.508 1.051 . . . . 0.0 113.216 -178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -134.64 135.46 42.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.872 1.269 . . . . 0.0 111.74 -172.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -86.96 142.72 27.77 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.54 1.136 . . . . 0.0 111.101 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.29 157.24 47.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.035 1.734 . . . . 0.0 110.683 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -120.59 147.78 44.75 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.56 1.144 . . . . 0.0 110.53 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.1 t -137.81 127.06 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 126.126 1.77 . . . . 0.0 109.479 -166.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -111.62 114.08 26.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.87 1.268 . . . . 0.0 110.097 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -75.91 -15.86 60.12 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -74.1 -32.33 63.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.868 1.267 . . . . 0.0 112.984 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 46.8 p -132.68 7.76 4.13 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.598 1.559 . . . . 0.0 113.571 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 66.92 6.61 4.76 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 127.639 2.376 . . . . 0.0 114.824 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.6 163.09 26.27 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.453 1.101 . . . . 0.0 113.316 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 56.6 p -144.22 159.85 41.97 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.244 1.818 . . . . 0.0 110.605 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 9.2 t -158.54 161.86 37.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.687 0.795 . . . . 0.0 112.972 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -89.02 -8.36 54.18 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.548 1.939 . . . . 0.0 113.383 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -143.6 -167.13 2.5 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.982 1.713 . . . . 0.0 111.736 -172.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -116.88 73.31 6.23 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.681 1.192 . . . . 0.0 111.691 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.38 -176.91 3.18 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 124.291 3.327 . . . . 0.0 112.021 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -54.83 149.48 22.66 Favored Pre-proline 0 N--CA 1.477 0.924 0 O-C-N 121.315 -0.866 . . . . 0.0 112.707 171.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.92 -21.58 24.34 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.688 2.925 . . . . 0.0 113.927 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 129.19 -44.55 1.21 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.74 1.638 . . . . 0.0 113.128 172.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' ALA . . . . . 0.582 ' H ' ' HD2' ' A' ' 557' ' ' PRO . . . -159.44 -46.99 0.01 OUTLIER Pre-proline 0 CA--C 1.556 1.181 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 177.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 557' ' ' PRO . . . . . 0.582 ' HD2' ' H ' ' A' ' 556' ' ' ALA . 58.8 Cg_endo . . . . . 0 C--O 1.253 1.239 0 C-N-CA 122.536 2.157 . . . . 0.0 113.68 -175.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2319 ' ' ASN . . . . . 0.423 HD21 ' N ' ' B' 2319 ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.66 0.267 . . . . 0.0 110.317 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 20.3 p -146.78 157.51 43.69 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.99 1.716 . . . . 0.0 110.77 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 64.66 -121.19 21.54 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 123.445 0.545 . . . . 0.0 112.014 -174.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -54.59 155.0 4.36 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.654 1.181 . . . . 0.0 113.606 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.43 -168.21 2.84 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.231 1.813 . . . . 0.0 110.93 -174.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -54.69 120.26 26.64 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 118.743 0.702 . . . . 0.0 110.669 168.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.58 126.11 10.61 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.473 2.115 . . . . 0.0 111.142 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.14 120.88 7.34 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.659 2.239 . . . . 0.0 110.62 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 32.2 m -150.87 79.41 1.32 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.683 1.193 . . . . 0.0 110.88 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 61.9 t80 -81.89 -91.6 0.07 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.751 0.82 . . . . 0.0 110.606 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.08 -26.88 65.02 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.591 1.157 . . . . 0.0 112.6 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.66 -19.77 66.04 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.673 1.189 . . . . 0.0 113.909 174.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.1 t -106.75 -42.95 4.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.692 1.197 . . . . 0.0 112.238 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.6 pt -81.88 18.93 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 30.6 mmmt . . . . . 0 C--O 1.254 1.324 0 C-N-CA 126.905 2.082 . . . . 0.0 113.747 177.159 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.497 1.902 0 CA-C-O 118.429 -0.796 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 4.8 m -47.81 -29.65 3.36 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 118.989 2.959 . . . . 0.0 118.989 -160.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.57 18.23 4.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.825 1.25 . . . . 0.0 113.671 174.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.7 mp -125.01 -19.41 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 126.082 1.753 . . . . 0.0 111.437 -173.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -134.13 71.42 1.45 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.478 1.911 . . . . 0.0 109.73 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.91 155.99 32.48 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.389 1.076 . . . . 0.0 112.923 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 88.75 176.81 46.79 Favored Glycine 0 CA--C 1.544 1.851 0 C-N-CA 124.734 1.159 . . . . 0.0 114.576 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.07 156.81 55.39 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.914 3.076 . . . . 0.0 112.555 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.29 154.97 91.89 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 123.562 0.745 . . . . 0.0 112.617 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.07 154.93 71.38 Favored 'Trans proline' 0 CA--C 1.55 1.289 0 C-N-CA 123.471 2.78 . . . . 0.0 113.625 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.53 110.99 3.01 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.001 3.134 . . . . 0.0 113.132 -168.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.61 24.86 72.72 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 123.827 0.727 . . . . 0.0 114.816 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -115.61 162.83 16.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.193 1.797 . . . . 0.0 111.334 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -131.8 150.5 52.13 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.831 1.652 . . . . 0.0 109.488 171.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.2 mp -141.78 123.45 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.473 1.509 . . . . 0.0 108.514 -168.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -131.38 159.17 38.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.285 1.034 . . . . 0.0 111.216 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -134.97 94.23 3.12 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.39 1.476 . . . . 0.0 109.177 -168.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 68.5 p -68.3 154.3 42.03 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.838 -0.539 . . . . 0.0 112.211 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.91 -16.87 32.95 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.84 -13.44 61.59 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 170.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 90.89 37.28 6.43 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.472 1.034 . . . . 0.0 113.196 -178.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -133.73 134.41 42.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.053 1.341 . . . . 0.0 111.477 -173.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -87.11 144.07 27.03 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.903 1.281 . . . . 0.0 111.321 173.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -137.83 158.32 44.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.301 1.84 . . . . 0.0 110.878 173.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -121.5 148.44 44.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.93 1.292 . . . . 0.0 110.268 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.27 130.73 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.439 1.896 . . . . 0.0 109.564 -167.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -121.78 88.29 2.91 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.303 1.441 . . . . 0.0 111.492 -172.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -56.04 -22.62 28.41 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.226 1.41 . . . . 0.0 114.462 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -64.29 -22.15 66.85 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.594 1.158 . . . . 0.0 113.547 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 13.8 t -149.96 17.56 0.87 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.759 1.224 . . . . 0.0 113.144 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 58.8 14.85 3.44 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 127.301 2.241 . . . . 0.0 115.581 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -80.1 167.3 20.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.366 1.067 . . . . 0.0 113.165 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 44.4 p -144.98 161.82 38.42 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.03 1.732 . . . . 0.0 111.531 178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.5 t -159.54 163.06 35.48 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.289 1.036 . . . . 0.0 112.2 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -87.19 -12.8 45.78 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.217 1.807 . . . . 0.0 113.388 -176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -150.21 -163.05 1.68 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.052 1.741 . . . . 0.0 111.299 -172.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -119.14 74.09 13.89 Favored Pre-proline 0 CA--C 1.548 0.889 0 O-C-N 120.86 -1.15 . . . . 0.0 111.447 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.17 166.17 30.71 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.637 2.891 . . . . 0.0 112.5 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -62.27 153.26 76.17 Favored Pre-proline 0 N--CA 1.477 0.909 0 C-N-CA 123.916 0.886 . . . . 0.0 113.37 175.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.32 163.49 38.93 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.641 2.894 . . . . 0.0 112.435 173.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 127.51 -25.69 5.04 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.667 1.603 . . . . 0.0 113.369 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.91 158.17 63.56 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 125.296 1.439 . . . . 0.0 112.268 170.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 123.634 2.889 . . . . 0.0 113.164 178.258 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B 2319 ' ' ASN . . . . . 0.456 ' N ' HD21 ' B' 2319 ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 17.3 p -144.46 148.05 34.08 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.951 1.3 . . . . 0.0 111.645 176.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 161.56 147.28 4.92 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.201 1.381 . . . . 0.0 112.493 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -163.2 145.07 9.89 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.509 1.524 . . . . 0.0 110.778 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 9.6 tptm -145.38 -2.05 0.79 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -142.55 146.2 37.64 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.927 1.691 . . . . 0.0 109.282 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -72.8 121.4 7.33 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 122.453 2.102 . . . . 0.0 110.767 175.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -72.28 123.96 9.58 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.596 2.197 . . . . 0.0 110.819 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.5 m -148.78 93.98 2.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.656 1.182 . . . . 0.0 110.596 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 68.3 t80 -90.02 -92.04 0.13 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.83 0.852 . . . . 0.0 110.076 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.52 -31.8 66.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.559 1.144 . . . . 0.0 112.173 172.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.38 -23.05 66.6 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.554 1.142 . . . . 0.0 113.873 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 35.6 t -99.21 -38.17 9.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.64 1.176 . . . . 0.0 112.593 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 11.0 pt -85.39 21.98 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -174.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.129 0 C-N-CA 126.074 1.749 . . . . 0.0 113.114 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 4.8 m -55.23 -22.18 16.98 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 118.809 2.892 . . . . 0.0 118.809 -158.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.38 15.99 4.51 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.098 1.359 . . . . 0.0 113.332 174.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.64 -25.6 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.493 1.517 . . . . 0.0 111.499 -173.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -101.92 7.21 41.55 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.071 1.349 . . . . 0.0 113.034 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -81.67 -173.31 4.35 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.453 1.901 . . . . 0.0 113.048 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -65.34 177.43 11.88 Favored Glycine 0 CA--C 1.547 2.086 0 C-N-CA 125.127 1.346 . . . . 0.0 115.44 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -68.16 151.3 77.12 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.961 3.107 . . . . 0.0 113.088 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.23 155.19 84.3 Favored Pre-proline 0 CA--C 1.555 1.151 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.17 156.89 64.09 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 C-N-CA 123.823 3.015 . . . . 0.0 113.572 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.8 115.16 4.19 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.909 3.072 . . . . 0.0 112.888 -171.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 63.73 29.56 75.1 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 123.793 0.711 . . . . 0.0 114.86 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -122.85 159.53 27.97 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.169 1.788 . . . . 0.0 111.142 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -126.66 147.49 49.92 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.566 1.546 . . . . 0.0 109.244 171.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.2 mp -141.06 128.43 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.821 1.248 . . . . 0.0 108.656 -170.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.11 161.17 35.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.673 1.189 . . . . 0.0 111.545 -172.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -132.7 106.48 7.79 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.999 1.719 . . . . 0.0 108.93 -173.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 80.7 p -74.67 159.65 31.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.301 0.641 . . . . 0.0 112.548 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.57 -17.17 53.86 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -69.95 -10.96 60.41 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 170.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.09 25.39 44.77 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.23 0.919 . . . . 0.0 113.243 -173.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -118.34 129.27 55.34 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.125 1.37 . . . . 0.0 110.515 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -90.25 145.57 24.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.649 1.58 . . . . 0.0 111.247 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -141.75 157.63 44.8 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.611 1.565 . . . . 0.0 111.119 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -117.53 147.75 42.5 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.942 1.297 . . . . 0.0 110.434 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 56.5 t -132.84 115.98 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 126.872 2.069 . . . . 0.0 108.655 -170.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -91.63 85.92 5.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.409 1.083 . . . . 0.0 110.644 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -18.21 7.4 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -71.72 -28.09 63.44 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.453 1.501 . . . . 0.0 113.874 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 34.5 p -136.58 -2.51 2.18 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 70.91 8.31 6.49 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.828 2.451 . . . . 0.0 114.413 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -63.69 163.86 10.78 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.718 1.207 . . . . 0.0 112.692 170.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 22.7 p -141.45 160.7 39.6 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.985 1.714 . . . . 0.0 111.005 173.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.1 t -158.94 157.84 32.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.097 0.959 . . . . 0.0 111.732 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -77.5 -23.84 50.2 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.533 1.533 . . . . 0.0 112.849 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -140.64 -166.95 2.24 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.918 1.687 . . . . 0.0 111.636 -166.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -118.87 73.15 11.86 Favored Pre-proline 0 CA--C 1.549 0.93 0 O-C-N 120.941 -1.099 . . . . 0.0 111.401 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.23 175.86 9.96 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.972 3.115 . . . . 0.0 112.795 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -54.25 148.15 24.21 Favored Pre-proline 0 N--CA 1.479 1.0 0 C-N-CA 124.785 1.234 . . . . 0.0 113.036 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.54 157.97 57.3 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.496 2.797 . . . . 0.0 112.992 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 143.58 -34.39 1.71 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.304 1.43 . . . . 0.0 113.443 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . 35.78 58.8 2.96 Favored Pre-proline 0 CA--C 1.559 1.309 0 C-N-CA 127.312 2.245 . . . . 0.0 115.522 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 C--O 1.252 1.216 0 C-N-CA 123.994 3.13 . . . . 0.0 113.897 -178.861 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 33.5 m120 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.48 0.181 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 7.9 p -60.46 -44.77 95.53 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.321 1.448 . . . . 0.0 113.249 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 141.57 157.54 7.2 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.082 1.801 . . . . 0.0 112.923 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -158.13 148.97 20.73 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.75 1.22 . . . . 0.0 111.89 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 8.8 tptm -142.81 -2.02 1.07 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 173.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -142.12 147.77 45.54 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 126.234 1.813 . . . . 0.0 109.131 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -72.84 122.92 8.57 Favored 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 122.404 2.069 . . . . 0.0 110.727 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -70.96 128.64 15.19 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.38 2.053 . . . . 0.0 110.236 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 48.1 m -158.23 91.7 1.11 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.975 1.31 . . . . 0.0 109.657 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 49.6 t80 -91.82 -88.59 0.19 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.78 0.832 . . . . 0.0 109.664 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.93 -31.18 69.61 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.201 -0.937 . . . . 0.0 112.456 174.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.39 -14.29 62.89 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.5 t -100.13 -39.31 8.15 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.455 1.102 . . . . 0.0 112.147 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 9.8 pt -85.29 29.07 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -176.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.269 1.827 . . . . 0.0 113.386 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 118.448 -0.787 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 6.8 m -50.61 -25.84 4.65 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 118.419 2.748 . . . . 0.0 118.419 -159.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.85 17.6 5.16 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 125.134 1.374 . . . . 0.0 113.883 173.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.95 -20.19 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.143 1.777 . . . . 0.0 111.438 -174.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.95 50.32 1.98 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.058 1.343 . . . . 0.0 111.652 -171.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.9 145.41 30.0 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.148 1.379 . . . . 0.0 113.37 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 91.05 175.01 43.92 Favored Glycine 0 CA--C 1.544 1.903 0 C-N-CA 125.116 1.341 . . . . 0.0 114.463 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -73.39 162.68 39.65 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.963 3.109 . . . . 0.0 112.522 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.31 155.44 42.56 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 123.925 0.89 . . . . 0.0 112.561 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.6 155.56 68.53 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 123.691 2.928 . . . . 0.0 113.604 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.95 114.8 4.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.922 3.081 . . . . 0.0 113.01 -170.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.78 25.32 71.74 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 123.807 0.718 . . . . 0.0 114.838 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -119.72 161.97 19.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.217 1.807 . . . . 0.0 111.059 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -130.84 151.38 51.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.972 1.709 . . . . 0.0 109.679 170.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -140.37 124.88 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.429 1.491 . . . . 0.0 109.131 -169.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -131.52 158.98 39.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.638 1.175 . . . . 0.0 111.013 -171.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -133.31 97.57 4.01 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.499 1.519 . . . . 0.0 109.093 -167.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 70.8 p -68.18 154.37 41.85 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.686 0.794 . . . . 0.0 112.542 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.37 -15.24 56.86 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -67.14 -12.26 59.51 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 168.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.79 26.64 24.1 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.864 1.221 . . . . 0.0 113.075 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -128.24 126.07 40.18 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.338 1.055 . . . . 0.0 111.543 -169.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -84.11 143.9 29.38 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.316 1.847 . . . . 0.0 111.7 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -142.23 162.92 34.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.357 1.463 . . . . 0.0 110.976 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -121.46 152.39 39.17 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.705 1.602 . . . . 0.0 110.582 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.5 126.08 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 126.55 1.94 . . . . 0.0 109.86 -168.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -108.3 93.5 4.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.561 1.144 . . . . 0.0 111.808 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -58.49 -20.24 44.0 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -69.67 -25.03 63.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.172 0.989 . . . . 0.0 113.557 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 49.9 p -139.44 -3.27 1.53 Allowed 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 11.9 ttp-105 70.1 6.64 5.86 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.671 2.389 . . . . 0.0 114.393 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -68.14 164.26 20.75 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.446 1.099 . . . . 0.0 113.081 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 38.7 p -144.13 159.52 42.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.325 1.85 . . . . 0.0 111.663 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 2.9 t -158.19 149.51 21.14 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.464 1.106 . . . . 0.0 112.223 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -79.97 -46.32 16.88 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.291 1.036 . . . . 0.0 112.225 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.94 -178.13 6.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.528 1.131 . . . . 0.0 111.918 174.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -113.63 79.13 4.11 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 125.482 1.513 . . . . 0.0 111.238 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -75.99 -171.47 1.07 Allowed 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 124.674 3.583 . . . . 0.0 112.528 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.43 146.86 3.13 Favored Pre-proline 0 N--CA 1.478 0.96 0 C-N-CA 125.356 1.462 . . . . 0.0 113.765 173.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.38 164.64 34.41 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.314 2.676 . . . . 0.0 113.217 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -95.04 -167.48 35.96 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.265 1.412 . . . . 0.0 113.65 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -59.27 151.63 57.42 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 124.12 0.968 . . . . 0.0 113.163 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 C--O 1.253 1.261 0 C-N-CA 123.959 3.106 . . . . 0.0 113.429 177.615 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.399 0.142 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 6.8 t -148.69 10.85 0.84 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 168.29 59.05 0.03 OUTLIER Glycine 0 CA--C 1.536 1.385 0 O-C-N 120.929 -1.107 . . . . 0.0 113.424 -173.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -141.66 90.72 2.31 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -171.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -81.67 -23.99 36.55 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.858 1.663 . . . . 0.0 113.511 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -130.21 136.72 29.44 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.215 1.406 . . . . 0.0 111.012 -178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.56 125.17 8.1 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 122.816 2.344 . . . . 0.0 111.311 177.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.53 127.97 14.69 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.637 2.225 . . . . 0.0 110.574 171.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 47.0 m -154.73 91.49 1.39 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.128 1.371 . . . . 0.0 110.225 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.71 -88.62 0.16 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.958 0.903 . . . . 0.0 110.392 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -62.71 -26.75 68.83 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.016 -1.053 . . . . 0.0 113.304 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.53 -7.19 36.12 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 173.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 46.5 t -112.95 -40.25 4.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.098 1.359 . . . . 0.0 112.617 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 13.6 pt -80.17 4.15 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.478 0.966 0 C-N-CA 126.08 1.752 . . . . 0.0 111.359 174.444 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 5.1 m -55.38 -23.41 24.27 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -158.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -131.72 17.46 4.75 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.195 1.398 . . . . 0.0 113.513 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 4.0 mp -125.45 -16.2 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.647 1.579 . . . . 0.0 111.511 -174.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.91 15.16 10.84 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.3 1.44 . . . . 0.0 113.101 -177.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.65 -178.82 2.35 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.611 1.565 . . . . 0.0 113.509 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -65.04 179.79 8.13 Favored Glycine 0 CA--C 1.547 2.05 0 C-N-CA 125.491 1.52 . . . . 0.0 115.592 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -67.52 151.53 79.69 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 124.027 3.151 . . . . 0.0 113.292 -173.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.69 154.68 92.95 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 123.829 0.852 . . . . 0.0 113.233 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.73 154.97 71.78 Favored 'Trans proline' 0 CA--C 1.549 1.271 0 C-N-CA 123.565 2.844 . . . . 0.0 113.451 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.88 115.08 4.16 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.923 3.082 . . . . 0.0 113.094 -169.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.71 29.42 75.08 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 114.809 0.684 . . . . 0.0 114.809 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -122.01 162.76 20.56 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.355 1.862 . . . . 0.0 111.676 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -130.37 150.61 51.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.814 1.646 . . . . 0.0 109.212 169.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.62 126.24 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.927 1.291 . . . . 0.0 108.939 -167.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -138.01 164.89 27.94 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.722 0.809 . . . . 0.0 113.155 -173.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -129.15 114.31 16.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.562 1.945 . . . . 0.0 108.723 -171.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 27.3 p -82.45 163.81 21.38 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.488 -0.758 . . . . 0.0 112.065 -177.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.26 -13.22 17.14 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -74.85 -9.51 58.62 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.4 1.08 . . . . 0.0 113.604 171.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.83 35.28 13.34 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.284 0.945 . . . . 0.0 113.176 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -132.99 142.37 48.8 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.047 1.339 . . . . 0.0 111.692 -172.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 34.4 ttp85 -102.03 142.89 32.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.13 1.372 . . . . 0.0 111.646 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -140.99 158.41 43.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.202 1.801 . . . . 0.0 110.757 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -117.09 148.3 41.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.67 1.188 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 93.8 t -133.33 116.85 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.916 2.087 . . . . 0.0 109.07 -169.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -95.43 85.3 4.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.201 1.401 . . . . 0.0 110.822 -175.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -19.19 5.04 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -69.17 -26.97 65.12 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.521 1.128 . . . . 0.0 113.307 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 67.9 p -142.92 3.59 1.42 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -173.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 2.2 mtm-85 67.41 4.7 3.88 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 127.1 2.16 . . . . 0.0 115.102 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -66.54 166.18 13.18 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.535 1.534 . . . . 0.0 112.87 175.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 19.3 p -146.0 160.42 41.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.877 1.671 . . . . 0.0 111.477 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.8 t -159.07 159.89 35.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.266 1.026 . . . . 0.0 112.152 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -80.49 -14.06 58.58 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.969 1.708 . . . . 0.0 113.648 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -149.84 -162.56 1.58 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.472 1.509 . . . . 0.0 111.943 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -120.15 74.81 21.87 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.665 1.186 . . . . 0.0 111.272 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.31 -177.38 3.49 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 124.278 3.319 . . . . 0.0 112.656 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -52.78 149.75 10.89 Favored Pre-proline 0 N--CA 1.48 1.058 0 C-N-CA 124.368 1.067 . . . . 0.0 112.906 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.06 167.39 23.66 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.554 2.836 . . . . 0.0 113.233 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -138.87 32.71 2.26 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.559 1.552 . . . . 0.0 113.464 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -143.25 153.27 59.42 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 126.009 1.724 . . . . 0.0 111.333 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 C--O 1.252 1.213 0 C-N-CA 124.043 3.162 . . . . 0.0 113.509 -179.82 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 74.0 p 38.98 44.25 0.85 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 127.011 2.125 . . . . 0.0 115.813 175.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -137.81 127.09 3.77 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.803 1.192 . . . . 0.0 111.491 -176.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -62.39 153.92 29.75 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.754 0.822 . . . . 0.0 112.001 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -138.94 169.47 17.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.067 1.747 . . . . 0.0 109.814 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -55.41 120.77 33.44 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 118.684 -0.674 . . . . 0.0 111.13 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.32 125.35 12.26 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.335 2.023 . . . . 0.0 110.815 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.68 119.62 6.55 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.552 2.168 . . . . 0.0 110.424 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.0 m -146.9 80.68 1.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.162 1.385 . . . . 0.0 109.64 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 40.7 t80 -85.5 -86.85 0.13 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.373 0.669 . . . . 0.0 109.829 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.42 -44.71 65.59 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.369 1.468 . . . . 0.0 112.13 173.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.98 -17.7 64.64 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.3 t -93.22 -42.85 9.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.87 0.868 . . . . 0.0 112.069 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 22.4 pt -78.81 -9.11 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.254 1.306 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 118.748 -0.644 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 5.2 m -49.18 -29.56 5.7 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 118.687 2.847 . . . . 0.0 118.687 -160.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.86 17.25 5.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.916 1.286 . . . . 0.0 114.017 173.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 1.2 mp -129.58 5.43 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 126.087 1.755 . . . . 0.0 111.248 -174.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.14 14.97 3.04 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.413 1.485 . . . . 0.0 112.778 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -77.99 -174.67 3.68 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.576 1.55 . . . . 0.0 112.866 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -62.4 170.73 11.74 Favored Glycine 0 CA--C 1.547 2.076 0 C-N-CA 124.923 1.249 . . . . 0.0 115.479 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.0 155.84 64.17 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 124.141 3.227 . . . . 0.0 113.215 -174.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.81 155.53 53.02 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 123.916 0.886 . . . . 0.0 112.962 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.98 157.05 63.38 Favored 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.877 3.052 . . . . 0.0 113.671 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -72.03 113.68 3.75 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.993 3.129 . . . . 0.0 113.089 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.52 27.07 72.18 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 123.81 0.719 . . . . 0.0 114.838 176.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -121.95 159.01 27.81 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.338 1.855 . . . . 0.0 111.131 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -127.0 151.52 48.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.43 1.892 . . . . 0.0 109.057 170.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -142.7 124.29 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.033 1.333 . . . . 0.0 108.502 -169.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.92 158.36 42.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.851 0.86 . . . . 0.0 111.957 -173.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -131.78 102.16 5.76 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.788 1.635 . . . . 0.0 108.582 -167.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 35.5 p -74.38 161.46 29.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.523 0.677 . . . . 0.0 112.27 -172.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.76 56.77 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -75.79 -8.86 57.9 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.419 1.088 . . . . 0.0 113.628 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 85.97 27.72 30.65 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.409 1.004 . . . . 0.0 113.481 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -117.85 120.4 37.8 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.529 1.132 . . . . 0.0 110.877 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -75.76 139.42 41.83 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.562 0.745 . . . . 0.0 110.619 169.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -136.27 161.04 36.88 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.771 1.628 . . . . 0.0 110.468 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -119.95 148.29 43.71 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.566 1.546 . . . . 0.0 109.981 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.82 123.33 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 126.509 1.924 . . . . 0.0 109.215 -168.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -101.72 118.46 36.98 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.755 1.222 . . . . 0.0 110.37 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -80.15 -16.03 55.79 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -71.84 -31.63 66.71 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.12 0.968 . . . . 0.0 113.13 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 12.6 t -145.18 22.92 1.52 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.394 1.478 . . . . 0.0 112.838 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 62.15 8.18 2.53 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 127.435 2.294 . . . . 0.0 115.98 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -69.85 163.52 25.7 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.373 1.469 . . . . 0.0 113.137 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 36.9 p -145.33 160.94 40.76 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.422 1.489 . . . . 0.0 111.912 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.5 t -160.15 157.89 29.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.395 1.078 . . . . 0.0 112.212 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -87.1 -11.92 48.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.846 1.658 . . . . 0.0 113.291 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -130.31 -168.25 1.94 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.17 1.388 . . . . 0.0 112.141 -175.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.43 71.93 19.05 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 124.437 1.095 . . . . 0.0 111.384 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -74.9 178.29 7.43 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 124.254 3.303 . . . . 0.0 112.535 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -55.68 151.48 22.11 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 124.121 0.968 . . . . 0.0 112.852 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.03 -28.59 23.76 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.37 2.713 . . . . 0.0 113.754 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 143.11 -49.36 0.73 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.944 1.259 . . . . 0.0 114.039 168.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -157.34 156.21 28.8 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 125.246 1.418 . . . . 0.0 111.89 -176.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo . . . . . 0 C--O 1.253 1.238 0 C-N-CA 123.974 3.116 . . . . 0.0 113.218 174.31 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 49.2 p -76.12 160.3 29.89 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.1 0.96 . . . . 0.0 112.56 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 167.94 -70.51 0.16 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.309 0.956 . . . . 0.0 112.596 172.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . 46.62 43.38 12.51 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.643 1.977 . . . . 0.0 114.361 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 23.8 tptp -70.3 -19.61 63.07 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.29 1.436 . . . . 0.0 113.553 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -126.48 111.12 23.19 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 126.085 1.754 . . . . 0.0 109.987 -171.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.84 122.44 8.5 Favored 'Trans proline' 0 CA--C 1.546 1.098 0 C-N-CA 122.519 2.146 . . . . 0.0 111.071 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.7 125.55 10.65 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.626 2.217 . . . . 0.0 111.284 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.3 m -149.39 95.75 2.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.145 1.378 . . . . 0.0 110.078 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -91.35 -85.11 0.24 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.606 0.763 . . . . 0.0 109.905 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.62 -40.99 93.91 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.291 -0.88 . . . . 0.0 111.62 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.81 -15.46 30.28 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 47.5 t -92.05 -49.72 6.07 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.968 0.907 . . . . 0.0 112.207 169.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 20.6 pt -75.27 -21.05 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.484 1.914 . . . . 0.0 112.054 175.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.169 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.75 156.42 66.06 Favored 'Trans proline' 0 CA--C 1.55 1.291 0 C-N-CA 123.813 3.009 . . . . 0.0 113.668 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -72.93 113.74 3.85 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.083 3.189 . . . . 0.0 113.16 -170.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 67.37 25.66 73.65 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 114.859 0.704 . . . . 0.0 114.859 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -120.38 161.59 20.92 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.296 1.838 . . . . 0.0 111.276 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -129.93 150.78 51.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.184 1.794 . . . . 0.0 109.245 171.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.9 mp -142.42 124.16 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 125.194 1.398 . . . . 0.0 108.643 -168.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -131.28 160.09 35.95 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.339 1.056 . . . . 0.0 111.709 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -132.3 109.33 9.81 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.878 1.671 . . . . 0.0 108.871 -171.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 70.4 p -81.16 160.5 24.36 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.347 0.659 . . . . 0.0 112.417 -175.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.12 -16.16 59.09 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.51 -11.59 60.07 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.738 1.215 . . . . 0.0 114.032 170.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 85.08 31.88 21.98 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.333 0.968 . . . . 0.0 113.329 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -127.93 156.1 43.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.289 1.435 . . . . 0.0 111.708 -176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -116.83 140.74 49.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.713 1.605 . . . . 0.0 110.753 -174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.99 155.78 46.95 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.258 1.423 . . . . 0.0 110.937 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -118.96 146.77 44.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.855 1.262 . . . . 0.0 110.166 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.97 123.12 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 126.248 1.819 . . . . 0.0 109.545 -168.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.72 104.06 13.8 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.119 1.367 . . . . 0.0 110.512 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -66.98 -19.57 65.74 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -71.02 -31.39 67.86 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.453 1.101 . . . . 0.0 113.382 -176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 49.6 p -133.5 4.11 3.64 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.543 1.537 . . . . 0.0 113.612 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.5 ttm105 62.35 14.28 6.71 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.585 2.354 . . . . 0.0 114.751 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -71.34 163.18 28.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.393 1.477 . . . . 0.0 112.982 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 27.2 p -147.75 153.1 38.81 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.812 1.645 . . . . 0.0 111.146 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.7 t -156.09 161.16 40.42 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.763 0.825 . . . . 0.0 112.663 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -83.96 -12.85 54.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.291 1.836 . . . . 0.0 113.64 -176.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 . . . . . 0 CA--C 1.547 0.862 0 C-N-CA 126.131 1.773 . . . . 0.0 111.505 -173.218 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo . . . . . 0 CA--C 1.544 1.004 0 N-CA-C 111.037 -0.409 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.72 121.85 8.31 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.497 2.131 . . . . 0.0 110.594 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 73.3 m -148.99 93.4 2.1 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.371 1.468 . . . . 0.0 109.773 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -87.7 -89.29 0.13 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.799 0.839 . . . . 0.0 109.81 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.95 -36.72 68.12 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.498 1.519 . . . . 0.0 112.238 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.9 -17.14 63.93 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.2 t -95.29 -38.97 10.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.232 1.013 . . . . 0.0 112.209 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 12.3 pt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -175.803 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.194 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.73 156.17 66.35 Favored 'Trans proline' 0 CA--C 1.549 1.269 0 C-N-CA 123.676 2.917 . . . . 0.0 113.584 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.88 112.79 3.48 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.026 3.151 . . . . 0.0 113.167 -169.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.21 23.49 71.53 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 123.911 0.767 . . . . 0.0 114.935 176.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -116.66 160.71 20.31 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.116 1.766 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -130.02 149.62 51.65 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.246 1.819 . . . . 0.0 109.019 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.2 mp -143.5 121.02 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.08 1.352 . . . . 0.0 108.315 -168.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -129.35 159.81 35.02 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.14 0.976 . . . . 0.0 111.542 -171.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -129.51 97.45 4.55 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.71 1.604 . . . . 0.0 108.971 -168.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 80.4 p -67.01 153.87 42.58 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.625 0.77 . . . . 0.0 112.01 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.37 -14.47 50.48 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.97 -12.86 58.0 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.768 1.227 . . . . 0.0 113.884 167.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 88.48 31.31 13.72 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.801 1.191 . . . . 0.0 112.938 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -131.16 129.34 41.64 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.535 1.134 . . . . 0.0 111.682 -169.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -86.34 142.19 28.67 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.015 1.326 . . . . 0.0 111.59 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -139.33 157.98 44.94 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.566 1.547 . . . . 0.0 110.568 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.29 151.0 33.6 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.443 1.497 . . . . 0.0 110.607 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.4 t -139.19 129.2 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 126.656 1.982 . . . . 0.0 108.949 -169.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -115.2 114.48 25.3 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.324 1.05 . . . . 0.0 110.368 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -74.86 -19.95 59.95 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -67.44 -29.44 68.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.04 0.936 . . . . 0.0 112.992 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 72.0 p -134.14 6.03 3.59 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.631 1.572 . . . . 0.0 113.66 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 65.85 2.63 2.24 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.226 2.61 . . . . 0.0 115.248 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 10.2 ptm85 -75.68 171.98 13.41 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.625 1.17 . . . . 0.0 113.858 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 48.2 p -143.85 163.62 32.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.571 1.548 . . . . 0.0 112.095 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.0 t -160.48 157.54 27.77 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.88 1.272 . . . . 0.0 111.568 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -82.73 -15.33 52.25 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.032 1.333 . . . . 0.0 113.333 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 CA--C 1.545 0.787 0 C-N-CA 124.877 1.271 . . . . 0.0 112.33 -172.655 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo . . . . . 0 CA--C 1.543 0.955 0 N-CA-C 110.634 -0.564 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.51 133.97 29.43 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.258 1.972 . . . . 0.0 110.146 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 39.5 m -158.73 84.3 0.82 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.961 1.304 . . . . 0.0 109.881 -177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 60.5 t80 -80.34 -88.94 0.07 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.52 0.728 . . . . 0.0 110.243 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.16 -32.09 70.72 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.046 -1.034 . . . . 0.0 112.595 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.59 -11.7 58.72 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 19.3 t -109.1 -30.4 8.07 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.628 1.171 . . . . 0.0 112.978 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.5 pt . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.667 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.21 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.85 154.01 74.09 Favored 'Trans proline' 0 CA--C 1.549 1.246 0 C-N-CA 123.468 2.779 . . . . 0.0 113.662 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.47 112.02 3.25 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.937 3.091 . . . . 0.0 112.987 -169.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.81 26.61 72.21 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 123.705 0.669 . . . . 0.0 114.706 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -120.77 163.29 18.35 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.652 1.981 . . . . 0.0 111.309 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -137.8 149.09 46.08 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.148 1.779 . . . . 0.0 108.648 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -144.98 129.95 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 120.941 -1.1 . . . . 0.0 109.843 -168.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -124.76 153.01 43.08 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.024 1.33 . . . . 0.0 111.153 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -120.48 106.19 11.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.102 1.761 . . . . 0.0 108.195 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 74.2 p -74.3 156.78 36.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.792 0.837 . . . . 0.0 112.328 -176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.45 57.27 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.62 -12.33 61.2 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.682 1.193 . . . . 0.0 114.031 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.76 32.65 12.54 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.187 0.898 . . . . 0.0 113.231 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -135.96 144.48 45.43 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.095 1.358 . . . . 0.0 111.861 -173.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -103.53 143.24 32.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.645 1.178 . . . . 0.0 111.685 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -140.05 143.78 36.54 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.167 1.387 . . . . 0.0 110.902 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -98.98 149.99 22.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.285 1.034 . . . . 0.0 111.093 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 73.2 t -138.42 128.23 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.111 2.164 . . . . 0.0 108.939 -171.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -112.64 119.93 39.79 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.772 1.229 . . . . 0.0 110.256 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -82.37 -11.19 58.73 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -77.46 -32.47 54.48 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.597 1.159 . . . . 0.0 112.474 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 64.8 p -134.67 7.73 3.54 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.961 1.704 . . . . 0.0 113.455 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 67.4 7.71 5.75 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.521 2.329 . . . . 0.0 114.983 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -70.8 167.27 19.22 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.463 1.505 . . . . 0.0 113.458 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 28.2 p -145.44 159.53 42.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.341 1.856 . . . . 0.0 111.346 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -157.51 149.77 22.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.53 0.732 . . . . 0.0 112.532 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.73 -15.95 60.76 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.879 1.672 . . . . 0.0 113.2 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 127.051 2.141 . . . . 0.0 111.036 -174.776 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo . . . . . 0 CA--C 1.545 1.037 0 N-CA-C 110.907 -0.459 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.27 122.52 8.77 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.449 2.099 . . . . 0.0 110.51 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.3 m -148.94 77.77 1.38 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.137 1.375 . . . . 0.0 110.14 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 61.6 t80 -78.67 -89.59 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.624 0.77 . . . . 0.0 110.571 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.09 -29.27 69.65 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.727 -1.233 . . . . 0.0 112.661 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -70.65 -7.75 46.73 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 20.0 t -115.25 -36.61 4.3 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.564 1.145 . . . . 0.0 112.503 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 1.2 pt . . . . . 0 N--CA 1.481 1.112 0 C-N-CA 124.032 0.933 . . . . 0.0 113.48 178.222 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.557 1.219 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.93 158.71 55.83 Favored 'Trans proline' 0 CA--C 1.55 1.287 0 C-N-CA 124.049 3.166 . . . . 0.0 113.774 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -72.35 113.56 3.74 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.983 3.122 . . . . 0.0 113.178 -171.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 62.57 25.92 67.72 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 123.949 0.785 . . . . 0.0 114.97 176.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -116.55 157.71 24.82 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.42 1.888 . . . . 0.0 110.728 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -125.39 147.5 49.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.016 1.726 . . . . 0.0 109.068 170.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.1 mp -140.99 125.71 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.467 1.107 . . . . 0.0 108.244 -171.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -131.39 157.73 42.65 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.2 1.0 . . . . 0.0 111.154 -173.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -124.17 105.35 9.44 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.866 1.666 . . . . 0.0 108.651 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 67.4 p -65.76 145.72 55.65 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.376 0.67 . . . . 0.0 111.346 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.26 64.02 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.53 -15.3 63.49 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.06 1.344 . . . . 0.0 114.254 171.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 113.61 23.85 4.9 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.697 1.142 . . . . 0.0 115.82 168.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -135.21 142.14 45.97 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.442 1.621 . . . . 0.0 113.098 -173.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -88.63 143.5 26.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.719 1.608 . . . . 0.0 111.952 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -139.18 154.68 48.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.194 1.797 . . . . 0.0 110.488 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -114.2 146.22 40.66 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.455 1.102 . . . . 0.0 110.832 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 92.8 t -135.56 128.55 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.932 2.093 . . . . 0.0 109.359 -169.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -115.96 118.41 32.86 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.452 1.101 . . . . 0.0 109.984 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -78.46 -17.38 56.39 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -69.92 -31.76 69.7 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.871 1.268 . . . . 0.0 113.139 -174.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 28.2 p -131.18 8.07 4.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.993 1.317 . . . . 0.0 113.469 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 69.36 2.65 3.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.866 2.466 . . . . 0.0 115.141 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -69.81 169.27 13.37 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.27 1.428 . . . . 0.0 113.948 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 15.6 p -145.26 162.79 36.32 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.106 1.763 . . . . 0.0 111.593 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.5 t -160.4 156.93 26.91 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.014 0.926 . . . . 0.0 112.678 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -85.74 -16.94 37.3 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.885 1.674 . . . . 0.0 113.402 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.543 0.693 0 C-N-CA 126.255 1.822 . . . . 0.0 110.757 -174.457 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo . . . . . 0 CA--C 1.544 0.983 0 N-CA-C 110.333 -0.68 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.53 124.13 10.49 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 122.085 1.857 . . . . 0.0 110.328 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.9 m -147.74 85.63 1.57 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.325 1.45 . . . . 0.0 109.326 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 75.0 t80 -82.66 -88.52 0.09 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.753 0.821 . . . . 0.0 109.306 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.54 -34.06 72.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.623 1.569 . . . . 0.0 112.242 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.2 -15.34 62.92 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 177.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.5 t -100.14 -40.57 7.52 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.193 0.997 . . . . 0.0 112.027 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 2.4 pt . . . . . 0 CA--C 1.551 0.992 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -176.508 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.197 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.75 152.39 80.66 Favored 'Trans proline' 0 CA--C 1.548 1.221 0 C-N-CA 123.355 2.703 . . . . 0.0 113.629 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.04 111.72 2.94 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.967 3.111 . . . . 0.0 113.122 -166.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.84 22.52 72.08 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 123.955 0.788 . . . . 0.0 114.873 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -112.68 161.54 16.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.883 1.673 . . . . 0.0 111.516 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -129.85 149.64 51.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.297 1.839 . . . . 0.0 108.938 170.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.3 mp -143.03 122.66 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.151 1.38 . . . . 0.0 108.365 -169.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -130.6 160.26 34.72 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.079 0.952 . . . . 0.0 111.746 -171.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -130.39 110.45 11.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.945 1.698 . . . . 0.0 108.953 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 55.7 p -79.22 161.7 26.19 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.426 0.632 . . . . 0.0 112.034 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.99 -15.24 42.46 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.94 -10.75 60.26 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 170.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 86.25 34.17 12.95 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.338 0.97 . . . . 0.0 113.115 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -128.37 134.07 48.77 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.96 1.304 . . . . 0.0 111.353 -170.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -95.47 138.16 33.54 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.294 1.438 . . . . 0.0 110.836 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -137.55 155.22 49.48 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.607 1.563 . . . . 0.0 110.439 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -115.58 148.13 39.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.236 1.014 . . . . 0.0 110.526 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 99.6 t -137.24 128.12 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 126.653 1.981 . . . . 0.0 109.037 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -115.67 111.43 20.6 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.45 1.1 . . . . 0.0 110.484 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -71.32 -21.21 62.09 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -68.04 -29.91 69.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.963 0.905 . . . . 0.0 113.248 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 68.6 p -133.48 8.19 3.91 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.401 1.48 . . . . 0.0 113.522 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 63.79 2.99 1.44 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.174 2.589 . . . . 0.0 115.512 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -73.53 170.85 14.3 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.781 1.232 . . . . 0.0 113.652 -176.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 51.3 p -143.02 165.26 27.84 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.796 1.638 . . . . 0.0 111.516 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 4.9 t -160.28 157.4 28.01 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.126 0.971 . . . . 0.0 112.392 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -79.66 -12.44 59.82 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.31 1.844 . . . . 0.0 113.812 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 CA--C 1.547 0.839 0 C-N-CA 125.799 1.639 . . . . 0.0 111.506 -171.276 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo . . . . . 0 CA--C 1.544 1.001 0 N-CA-C 110.901 -0.461 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.24 128.29 14.5 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.42 2.08 . . . . 0.0 110.441 173.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 49.9 m -152.14 85.92 1.29 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.697 1.199 . . . . 0.0 110.139 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 55.6 t80 -81.71 -88.78 0.08 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.457 0.703 . . . . 0.0 110.214 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -60.96 -31.95 71.49 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.898 -1.126 . . . . 0.0 112.313 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.96 -4.82 18.18 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 40.2 t -114.31 -41.28 3.5 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.823 1.249 . . . . 0.0 111.974 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 1.3 pt . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 -177.12 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.555 1.172 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.33 157.45 61.17 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.79 2.993 . . . . 0.0 113.752 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -72.11 112.68 3.48 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.028 3.152 . . . . 0.0 113.071 -170.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 64.92 27.61 72.4 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 114.858 0.703 . . . . 0.0 114.858 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -121.25 160.03 24.73 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.521 1.928 . . . . 0.0 111.135 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -128.2 150.76 49.88 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.034 1.734 . . . . 0.0 109.382 170.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -141.04 122.19 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.55 1.54 . . . . 0.0 108.422 -170.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.49 157.94 41.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.781 0.832 . . . . 0.0 111.581 -173.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -130.95 99.83 5.04 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.806 1.642 . . . . 0.0 108.846 -167.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 71.6 p -69.77 157.29 37.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.47 0.708 . . . . 0.0 112.559 -175.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.25 -13.39 27.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -73.76 -8.99 58.18 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.531 1.133 . . . . 0.0 113.78 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.81 30.63 25.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.059 0.838 . . . . 0.0 113.166 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -129.5 132.12 46.82 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.783 1.233 . . . . 0.0 111.471 -175.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 10.7 ttp85 -88.47 143.83 26.74 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.716 1.606 . . . . 0.0 111.265 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -139.22 157.01 46.67 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.888 1.675 . . . . 0.0 110.493 175.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -117.86 149.52 40.71 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.703 1.201 . . . . 0.0 110.346 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 90.2 t -135.21 125.62 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.449 1.9 . . . . 0.0 109.565 -168.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.55 100.32 9.59 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.087 1.355 . . . . 0.0 110.716 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -63.78 -18.87 64.52 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -71.45 -28.53 64.03 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.242 1.017 . . . . 0.0 113.235 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 62.3 p -133.56 4.94 3.68 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.144 1.378 . . . . 0.0 113.903 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 64.44 3.63 1.94 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.599 2.359 . . . . 0.0 114.632 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -72.78 168.34 19.01 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.17 1.388 . . . . 0.0 113.089 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 34.1 p -145.44 161.92 38.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.891 1.677 . . . . 0.0 111.363 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.8 t -158.81 160.1 35.86 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.904 0.882 . . . . 0.0 112.605 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -84.31 -11.29 56.64 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.387 1.875 . . . . 0.0 113.395 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 125.81 1.644 . . . . 0.0 111.642 -172.175 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo . . . . . 0 CA--C 1.544 1.0 0 N-CA-C 110.565 -0.59 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.31 129.71 17.47 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.329 2.019 . . . . 0.0 110.557 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 57.8 m -152.53 87.57 1.31 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.712 1.205 . . . . 0.0 109.687 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.5 t80 -82.65 -87.16 0.1 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.52 0.728 . . . . 0.0 109.943 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.73 -35.34 74.35 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.014 -1.054 . . . . 0.0 112.895 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.58 -7.13 35.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 34.7 t -105.45 -38.85 6.33 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.211 1.004 . . . . 0.0 112.748 169.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 7.1 pt . . . . . 0 N--CA 1.476 0.862 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -177.029 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.177 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.55 155.75 68.93 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 124.207 3.271 . . . . 0.0 113.745 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.26 112.92 3.55 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.879 3.053 . . . . 0.0 112.868 -171.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.24 27.46 73.0 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.866 0.706 . . . . 0.0 114.866 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -123.39 162.32 23.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.328 1.851 . . . . 0.0 111.425 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -135.15 148.48 49.75 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.066 2.146 . . . . 0.0 108.893 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -140.05 120.73 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.736 1.215 . . . . 0.0 109.109 -169.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -130.76 145.46 51.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.593 1.157 . . . . 0.0 110.089 -168.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -125.82 101.96 7.09 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.677 1.591 . . . . 0.0 108.901 -169.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 63.8 p -69.77 155.9 39.83 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.836 0.854 . . . . 0.0 112.24 -174.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.05 -12.78 28.79 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -77.99 -4.51 47.38 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.664 1.186 . . . . 0.0 113.715 171.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 86.62 30.98 19.95 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.316 0.96 . . . . 0.0 113.684 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -131.8 134.12 45.45 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.532 1.133 . . . . 0.0 111.76 -174.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -91.5 144.5 25.49 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.722 1.209 . . . . 0.0 111.403 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -137.66 160.45 39.17 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.349 1.46 . . . . 0.0 110.752 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.8 151.83 27.35 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.581 1.553 . . . . 0.0 110.592 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 96.2 t -135.19 123.61 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.954 1.702 . . . . 0.0 109.373 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.16 103.89 14.96 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.015 1.326 . . . . 0.0 110.616 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -65.3 -19.04 65.78 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -75.42 -31.96 60.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.311 1.044 . . . . 0.0 113.54 -174.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 53.2 p -130.49 6.37 4.81 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.446 1.498 . . . . 0.0 113.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 64.98 4.36 2.46 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 128.006 2.523 . . . . 0.0 114.974 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -74.62 168.17 20.31 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.377 1.471 . . . . 0.0 113.023 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 41.4 p -147.13 160.45 42.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.664 1.586 . . . . 0.0 111.488 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.2 t -159.77 158.83 31.89 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.255 1.022 . . . . 0.0 112.057 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -82.6 -19.74 37.83 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.955 1.302 . . . . 0.0 113.499 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.474 0.728 0 C-N-CA 125.057 1.343 . . . . 0.0 112.638 -169.802 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.545 1.053 0 CA-C-O 119.352 -0.353 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.64 125.07 10.8 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.722 2.281 . . . . 0.0 110.979 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 50.7 m -149.2 94.17 2.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.077 1.351 . . . . 0.0 110.045 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 47.7 t80 -89.75 -91.49 0.13 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.814 0.846 . . . . 0.0 110.307 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.46 -29.61 66.32 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.02 -1.05 . . . . 0.0 113.101 171.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.62 -18.71 65.51 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.8 t -97.47 -43.37 7.29 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.444 1.097 . . . . 0.0 112.243 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 11.4 pt . . . . . 0 N--CA 1.48 1.037 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -174.521 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.188 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.33 154.95 72.47 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 123.538 2.826 . . . . 0.0 113.559 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.94 114.46 3.9 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.929 3.086 . . . . 0.0 113.138 -168.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.27 29.84 76.27 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 123.78 0.705 . . . . 0.0 114.665 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -121.79 162.66 20.48 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.301 1.84 . . . . 0.0 111.708 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -131.42 150.04 52.3 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.891 1.676 . . . . 0.0 109.441 169.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -141.32 122.6 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.418 1.487 . . . . 0.0 108.061 -170.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -129.95 158.66 38.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.524 1.129 . . . . 0.0 110.959 -172.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -131.96 104.19 6.71 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.783 1.633 . . . . 0.0 108.58 -170.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 61.6 p -71.99 158.28 36.27 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.471 0.653 . . . . 0.0 111.968 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.73 60.61 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.78 -13.23 62.27 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 168.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 95.69 19.67 28.82 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.192 1.377 . . . . 0.0 113.873 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -117.44 129.92 56.14 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.62 1.21 . . . . 0.0 111.557 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -84.19 141.0 31.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.063 0.945 . . . . 0.0 111.229 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -138.92 160.18 40.37 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.707 1.603 . . . . 0.0 110.496 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -118.24 149.89 40.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.496 1.519 . . . . 0.0 110.192 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.52 124.98 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.866 1.666 . . . . 0.0 109.831 -174.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -99.18 106.87 19.09 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.21 1.404 . . . . 0.0 110.418 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -68.63 -20.59 64.48 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.85 -30.81 68.39 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.615 1.166 . . . . 0.0 113.164 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.3 p -134.7 5.8 3.42 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.722 1.609 . . . . 0.0 113.673 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 63.9 7.02 3.04 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.572 2.349 . . . . 0.0 115.461 -174.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -68.88 164.84 21.16 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.409 1.484 . . . . 0.0 113.373 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 12.3 p -146.24 157.03 43.79 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.975 1.71 . . . . 0.0 111.835 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 1.8 t -157.87 146.39 19.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.275 1.03 . . . . 0.0 111.399 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -74.22 -37.73 63.75 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.167 0.987 . . . . 0.0 112.494 173.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 125.671 1.588 . . . . 0.0 111.239 -178.912 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo . . . . . 0 CA--C 1.546 1.076 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.99 120.29 6.94 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.534 2.156 . . . . 0.0 110.508 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 69.0 m -147.89 89.13 1.72 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.937 1.295 . . . . 0.0 109.825 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 81.0 t80 -88.93 -86.31 0.18 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.85 0.86 . . . . 0.0 109.288 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.42 -34.58 75.63 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.35 1.46 . . . . 0.0 112.293 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -69.03 -16.59 63.74 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.704 1.202 . . . . 0.0 114.127 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.1 t -97.91 -41.4 8.03 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.085 0.954 . . . . 0.0 111.99 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.9 pt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 -177.416 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.144 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.92 154.85 71.81 Favored 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.594 2.863 . . . . 0.0 113.518 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -72.13 112.51 3.44 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.92 3.08 . . . . 0.0 113.043 -169.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.41 73.11 Favored Glycine 0 CA--C 1.538 1.523 0 N-CA-C 114.874 0.71 . . . . 0.0 114.874 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -124.71 160.76 27.85 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.28 1.832 . . . . 0.0 111.418 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -126.94 151.83 47.97 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.102 1.761 . . . . 0.0 109.293 168.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -141.26 122.62 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.364 1.466 . . . . 0.0 108.073 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.63 161.18 33.31 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.614 0.766 . . . . 0.0 111.433 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -129.75 102.94 6.55 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.434 1.494 . . . . 0.0 108.647 -172.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 42.4 p -69.22 145.27 53.33 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.619 -0.675 . . . . 0.0 111.033 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -58.17 -20.83 44.04 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -71.33 -10.08 59.18 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.293 1.437 . . . . 0.0 114.647 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 105.03 34.86 3.33 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 115.576 0.99 . . . . 0.0 115.576 170.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -137.86 153.44 49.58 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.925 1.363 . . . . 0.0 112.446 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -103.86 142.55 34.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.385 1.474 . . . . 0.0 110.973 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -138.85 159.52 41.92 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.127 1.771 . . . . 0.0 111.019 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -121.32 147.71 45.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.85 1.26 . . . . 0.0 110.551 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.22 124.2 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.364 1.866 . . . . 0.0 109.763 -167.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -105.17 105.8 16.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.33 1.452 . . . . 0.0 110.6 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -69.54 -17.63 63.59 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -72.11 -31.21 65.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.172 0.989 . . . . 0.0 113.012 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 59.8 p -135.96 7.58 3.2 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.71 1.604 . . . . 0.0 113.542 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 65.33 10.02 6.16 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.986 2.514 . . . . 0.0 114.968 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -75.24 166.45 23.6 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.106 1.362 . . . . 0.0 113.027 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 24.3 p -145.6 156.78 43.89 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.744 1.618 . . . . 0.0 111.297 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.4 t -157.15 161.83 39.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.69 0.796 . . . . 0.0 112.528 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.75 -13.41 51.34 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.305 1.842 . . . . 0.0 113.279 -175.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.547 0.848 0 C-N-CA 126.049 1.739 . . . . 0.0 111.537 -172.171 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 CA--C 1.544 0.977 0 N-CA-C 111.208 -0.343 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.67 124.39 10.67 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.723 2.282 . . . . 0.0 110.779 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 74.2 m -147.82 83.23 1.52 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.188 1.395 . . . . 0.0 109.918 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 72.3 t80 -81.97 -87.86 0.09 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.431 0.692 . . . . 0.0 110.303 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.23 -37.64 80.96 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.01 -1.056 . . . . 0.0 112.355 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.81 -10.46 37.92 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 43.8 t -98.33 -42.55 7.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.255 1.022 . . . . 0.0 112.246 168.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 12.0 pt . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -173.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.555 1.158 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.89 152.23 80.81 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.507 2.805 . . . . 0.0 113.568 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.29 112.36 3.31 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.874 3.049 . . . . 0.0 113.037 -168.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 71.08 23.73 77.79 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 114.975 0.75 . . . . 0.0 114.975 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -120.21 162.81 18.75 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.959 1.704 . . . . 0.0 111.686 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -131.28 152.87 50.13 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.326 1.851 . . . . 0.0 109.363 170.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.7 mp -141.11 131.98 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.52 1.528 . . . . 0.0 108.7 -170.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -132.69 151.62 51.92 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.842 1.257 . . . . 0.0 110.761 -171.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -125.26 98.94 5.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.856 1.663 . . . . 0.0 108.98 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 53.8 p -75.79 157.01 33.98 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.319 0.647 . . . . 0.0 112.529 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.99 58.95 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -72.4 -9.24 58.27 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 170.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.38 29.12 22.97 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.525 1.06 . . . . 0.0 113.08 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -124.94 122.52 37.59 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.671 1.188 . . . . 0.0 111.114 -172.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -82.6 143.19 31.18 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.666 1.186 . . . . 0.0 111.237 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -140.51 162.61 34.95 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.219 1.408 . . . . 0.0 111.037 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -119.31 154.04 34.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.797 1.639 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 91.0 t -140.18 126.88 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 126.374 1.869 . . . . 0.0 109.518 -170.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -108.83 105.96 15.76 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.113 1.365 . . . . 0.0 110.652 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -69.16 -15.6 63.45 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -73.73 -30.45 62.83 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.202 -0.936 . . . . 0.0 113.029 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 50.1 p -136.22 3.08 2.84 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 125.328 1.451 . . . . 0.0 113.898 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 66.36 5.99 4.04 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.676 2.39 . . . . 0.0 115.156 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -65.93 161.91 20.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.766 1.626 . . . . 0.0 112.618 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 82.3 p -146.48 163.87 34.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.511 1.524 . . . . 0.0 111.205 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 8.6 t -161.67 161.54 29.54 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.884 0.874 . . . . 0.0 112.782 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -90.32 -9.29 48.32 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.496 1.918 . . . . 0.0 113.105 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 N--CA 1.476 0.845 0 C-N-CA 124.77 1.228 . . . . 0.0 112.89 -174.064 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 CA--C 1.547 1.136 0 CA-C-O 119.224 -0.407 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.72 122.24 8.04 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.865 2.377 . . . . 0.0 111.386 177.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.6 m -148.07 87.6 1.62 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.254 1.422 . . . . 0.0 110.214 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 63.6 t80 -88.78 -87.86 0.16 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.614 0.765 . . . . 0.0 110.476 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.21 -30.71 71.28 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.911 -1.118 . . . . 0.0 112.73 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.62 -7.69 41.04 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.7 t -105.65 -41.53 5.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.957 1.303 . . . . 0.0 112.337 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 30.6 pt . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.195 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.68 156.83 64.19 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 C-N-CA 123.785 2.99 . . . . 0.0 113.629 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.13 113.76 3.78 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.016 3.144 . . . . 0.0 113.064 -170.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.01 26.75 71.57 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.852 0.701 . . . . 0.0 114.852 176.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -120.94 161.08 22.19 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.424 1.89 . . . . 0.0 111.029 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -130.51 151.2 51.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.165 1.786 . . . . 0.0 109.285 172.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -141.44 123.52 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 125.268 1.427 . . . . 0.0 108.509 -169.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -130.48 156.61 44.49 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.583 1.153 . . . . 0.0 110.993 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -128.44 93.07 3.55 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.308 1.443 . . . . 0.0 108.972 -169.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 25.9 p -66.18 145.25 56.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.075 0.95 . . . . 0.0 111.577 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -60.96 -14.72 24.54 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -176.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.07 -10.94 16.33 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.358 1.463 . . . . 0.0 114.65 167.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 90.39 38.33 6.31 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.57 1.081 . . . . 0.0 113.218 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -136.42 158.03 45.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.359 1.463 . . . . 0.0 111.26 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -112.9 139.86 48.19 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.201 1.401 . . . . 0.0 110.358 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -135.8 157.25 47.31 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.631 1.572 . . . . 0.0 110.405 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -116.95 149.8 39.58 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 125.258 1.423 . . . . 0.0 110.3 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 82.4 t -136.41 126.23 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 126.654 1.982 . . . . 0.0 108.783 -168.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -109.08 116.58 32.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.715 1.206 . . . . 0.0 109.965 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -78.05 -16.71 57.82 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -72.61 -33.88 66.98 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.829 1.252 . . . . 0.0 113.09 -173.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 52.9 p -132.62 10.09 4.33 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.723 1.609 . . . . 0.0 113.224 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 67.58 7.8 5.89 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.524 2.33 . . . . 0.0 114.768 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -67.05 163.95 18.89 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.49 1.516 . . . . 0.0 113.768 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 16.7 p -145.76 156.47 43.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.092 1.757 . . . . 0.0 111.509 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.7 t -158.52 156.29 29.97 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.141 0.977 . . . . 0.0 112.246 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -86.88 -17.25 33.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.319 1.447 . . . . 0.0 113.428 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.473 0.707 0 C-N-CA 124.997 1.319 . . . . 0.0 111.674 -176.284 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo . . . . . 0 CA--C 1.544 0.99 0 N-CA-C 110.463 -0.63 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.05 131.36 23.6 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.219 1.946 . . . . 0.0 110.156 172.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 35.1 m -159.25 74.09 0.62 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.127 1.371 . . . . 0.0 109.919 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.9 t80 -74.71 -83.0 0.06 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.261 0.624 . . . . 0.0 110.775 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -63.66 -37.13 86.18 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.179 -0.951 . . . . 0.0 112.449 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.82 -19.14 65.78 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 41.3 t -87.59 -42.32 12.8 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.611 0.764 . . . . 0.0 112.238 170.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -173.36 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.192 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.26 157.2 62.26 Favored 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 123.859 3.039 . . . . 0.0 113.839 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.45 114.89 4.13 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.997 3.132 . . . . 0.0 113.128 -170.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 64.52 26.19 70.66 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 114.912 0.725 . . . . 0.0 114.912 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -120.14 159.91 23.92 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.254 1.822 . . . . 0.0 111.018 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -129.18 150.05 50.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.271 1.828 . . . . 0.0 108.85 170.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -144.03 126.21 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.868 1.267 . . . . 0.0 108.69 -169.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -133.66 161.58 34.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.798 0.839 . . . . 0.0 112.484 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -131.06 98.32 4.55 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.046 1.738 . . . . 0.0 109.054 -167.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 68.2 p -74.57 152.54 39.28 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.583 -0.698 . . . . 0.0 111.603 -177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.14 -17.33 25.96 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.45 -12.16 55.78 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 170.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.64 38.69 6.49 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.254 0.93 . . . . 0.0 113.306 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -133.75 146.83 51.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.323 1.449 . . . . 0.0 111.027 -174.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.09 140.37 41.38 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.853 1.261 . . . . 0.0 110.851 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.06 152.37 49.98 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.392 1.477 . . . . 0.0 110.756 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -114.16 148.2 37.64 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.61 1.164 . . . . 0.0 110.5 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.86 124.88 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 126.601 1.96 . . . . 0.0 109.297 -170.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -106.45 119.41 39.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.941 1.296 . . . . 0.0 110.291 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -79.16 -15.66 57.77 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -73.59 -32.13 63.95 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.559 1.144 . . . . 0.0 112.99 -175.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 54.6 p -133.85 9.62 3.89 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.483 1.513 . . . . 0.0 113.578 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 64.86 11.14 6.7 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.242 2.217 . . . . 0.0 114.463 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -72.4 166.13 23.18 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.139 1.776 . . . . 0.0 113.814 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 41.2 p -145.93 163.01 36.47 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.661 1.585 . . . . 0.0 111.592 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.2 t -161.69 160.96 29.23 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.181 0.993 . . . . 0.0 112.345 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -82.92 -14.33 54.36 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.274 1.83 . . . . 0.0 113.542 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 125.936 1.694 . . . . 0.0 111.395 -172.775 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 CA--C 1.543 0.964 0 N-CA-C 110.908 -0.458 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.99 119.07 6.05 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.275 1.983 . . . . 0.0 110.675 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 71.0 m -146.13 87.19 1.73 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.548 1.539 . . . . 0.0 109.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -83.24 -86.47 0.11 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.531 0.733 . . . . 0.0 109.724 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.19 -37.24 79.64 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.295 -0.878 . . . . 0.0 112.411 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.85 -20.12 63.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.5 t -91.59 -44.55 8.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.069 0.948 . . . . 0.0 112.133 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.2 pt . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -171.909 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.556 1.202 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.14 156.48 64.85 Favored 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 124.238 3.292 . . . . 0.0 113.734 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -72.27 113.76 3.79 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.931 3.087 . . . . 0.0 112.862 -172.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.07 27.24 72.05 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -123.89 162.89 22.4 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.651 1.98 . . . . 0.0 111.049 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -131.22 154.69 48.17 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.273 1.829 . . . . 0.0 109.876 171.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.17 127.94 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.918 1.687 . . . . 0.0 108.433 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -131.71 155.6 47.39 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.522 1.129 . . . . 0.0 110.507 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -130.84 109.59 10.68 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.405 1.482 . . . . 0.0 108.012 -174.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 43.5 p -69.49 154.84 41.4 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.296 0.57 . . . . 0.0 111.528 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.48 33.47 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -79.96 -8.93 59.6 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.004 1.322 . . . . 0.0 113.597 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 99.43 24.55 10.08 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.524 1.059 . . . . 0.0 115.029 172.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -127.17 136.91 52.72 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.189 1.495 . . . . 0.0 112.515 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.24 141.7 28.45 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.671 1.189 . . . . 0.0 111.192 177.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -139.04 159.53 41.92 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.389 1.475 . . . . 0.0 110.744 172.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -108.4 152.26 24.91 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.997 1.319 . . . . 0.0 110.812 174.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 95.9 t -134.69 126.01 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 126.207 1.803 . . . . 0.0 109.164 -173.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -108.04 116.59 32.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.786 1.235 . . . . 0.0 109.883 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -79.87 -14.96 58.26 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -74.4 -32.92 62.87 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.243 1.417 . . . . 0.0 112.692 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 71.1 p -132.33 8.28 4.3 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.998 1.719 . . . . 0.0 113.233 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 68.99 4.07 4.34 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.863 2.465 . . . . 0.0 114.906 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -71.78 165.79 23.34 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.286 1.435 . . . . 0.0 113.199 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 20.8 p -145.84 157.41 43.92 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.8 1.64 . . . . 0.0 111.384 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 9.7 t -158.13 155.75 29.69 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.744 0.818 . . . . 0.0 112.398 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -89.36 -21.08 23.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.458 1.503 . . . . 0.0 113.314 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.544 0.724 0 C-N-CA 125.547 1.539 . . . . 0.0 111.266 -179.801 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo . . . . . 0 CA--C 1.542 0.924 0 N-CA-C 110.92 -0.454 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.45 123.14 10.18 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 122.509 2.139 . . . . 0.0 110.461 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 75.4 m -148.22 90.97 1.86 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.188 1.395 . . . . 0.0 109.472 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 65.6 t80 -87.66 -87.74 0.15 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.662 0.785 . . . . 0.0 109.701 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.63 -41.87 74.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.336 1.055 . . . . 0.0 111.756 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.56 -13.74 61.42 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.6 t -94.14 -44.81 7.82 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.873 0.869 . . . . 0.0 112.008 169.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 16.3 pt . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -171.778 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.557 1.226 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.57 153.8 75.33 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 123.498 2.798 . . . . 0.0 113.75 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.01 112.62 3.34 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.964 3.11 . . . . 0.0 113.058 -168.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.37 25.13 71.14 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.882 0.753 . . . . 0.0 114.792 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -117.93 160.04 22.11 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.207 1.803 . . . . 0.0 111.214 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -127.32 153.01 46.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.392 1.877 . . . . 0.0 109.036 168.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.4 mp -141.93 131.95 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.313 1.445 . . . . 0.0 108.499 -174.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -132.88 153.94 50.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.821 0.848 . . . . 0.0 111.755 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -119.49 99.96 6.99 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.373 1.869 . . . . 0.0 108.566 -175.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 48.4 p -75.63 153.36 37.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.302 0.641 . . . . 0.0 111.555 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.14 -13.53 37.95 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.89 -9.0 56.88 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.365 1.066 . . . . 0.0 113.84 170.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.05 35.33 9.86 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.234 0.921 . . . . 0.0 112.425 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -131.21 119.43 21.83 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.664 1.186 . . . . 0.0 111.215 -171.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -82.63 136.17 34.86 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.636 1.574 . . . . 0.0 110.674 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.52 155.4 50.56 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.371 1.469 . . . . 0.0 110.578 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -115.02 148.58 38.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.267 1.427 . . . . 0.0 110.45 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.29 124.53 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 126.582 1.953 . . . . 0.0 109.153 -170.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -106.77 120.53 42.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.801 1.24 . . . . 0.0 110.211 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -83.19 -11.27 58.02 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -75.66 -32.02 60.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.57 1.148 . . . . 0.0 112.552 -176.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 55.1 p -135.52 9.61 3.41 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.612 1.565 . . . . 0.0 113.636 177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 69.13 3.65 4.18 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.553 2.341 . . . . 0.0 114.524 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -68.33 163.72 22.4 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.871 1.668 . . . . 0.0 113.597 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 14.3 p -147.34 157.15 43.47 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.611 1.564 . . . . 0.0 111.87 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 6.5 t -159.4 158.5 32.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.202 1.001 . . . . 0.0 112.26 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -89.76 -11.93 40.8 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.654 1.582 . . . . 0.0 113.28 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 125.12 1.368 . . . . 0.0 111.799 -176.043 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 CA--C 1.546 1.08 0 CA-C-O 119.221 -0.408 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.22 119.92 6.46 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.577 2.184 . . . . 0.0 111.135 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 68.1 m -144.21 93.53 2.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.16 1.384 . . . . 0.0 109.898 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 71.9 t80 -90.07 -87.77 0.18 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.955 0.902 . . . . 0.0 109.462 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.23 -36.8 76.09 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.114 -0.991 . . . . 0.0 112.292 173.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.97 -13.51 57.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 41.8 t -98.81 -41.59 7.57 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.392 1.077 . . . . 0.0 112.162 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.7 pt . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -172.598 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.148 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.12 156.42 65.87 Favored 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.833 3.022 . . . . 0.0 113.653 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.41 114.03 3.88 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 124.047 3.165 . . . . 0.0 113.047 -170.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.73 26.18 73.0 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 114.946 0.739 . . . . 0.0 114.946 175.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -121.12 162.34 20.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.479 1.911 . . . . 0.0 111.284 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -131.5 151.02 51.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.219 1.808 . . . . 0.0 109.447 172.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -143.0 124.39 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.162 1.385 . . . . 0.0 108.603 -167.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -131.76 160.13 36.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.317 1.047 . . . . 0.0 111.323 -172.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -134.55 98.88 4.19 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.518 1.527 . . . . 0.0 109.18 -170.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 60.5 p -73.08 156.25 38.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.363 0.665 . . . . 0.0 112.212 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.45 -19.64 49.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -64.4 -13.11 49.29 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 169.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.57 38.09 6.74 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.508 1.051 . . . . 0.0 113.216 -178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -134.64 135.46 42.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.872 1.269 . . . . 0.0 111.74 -172.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -86.96 142.72 27.77 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.54 1.136 . . . . 0.0 111.101 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.29 157.24 47.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.035 1.734 . . . . 0.0 110.683 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -120.59 147.78 44.75 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.56 1.144 . . . . 0.0 110.53 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.1 t -137.81 127.06 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 126.126 1.77 . . . . 0.0 109.479 -166.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -111.62 114.08 26.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.87 1.268 . . . . 0.0 110.097 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -75.91 -15.86 60.12 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -74.1 -32.33 63.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.868 1.267 . . . . 0.0 112.984 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 46.8 p -132.68 7.76 4.13 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.598 1.559 . . . . 0.0 113.571 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 66.92 6.61 4.76 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 127.639 2.376 . . . . 0.0 114.824 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.6 163.09 26.27 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.453 1.101 . . . . 0.0 113.316 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 56.6 p -144.22 159.85 41.97 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.244 1.818 . . . . 0.0 110.605 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 9.2 t -158.54 161.86 37.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.687 0.795 . . . . 0.0 112.972 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -89.02 -8.36 54.18 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.548 1.939 . . . . 0.0 113.383 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 CA--C 1.546 0.815 0 C-N-CA 125.982 1.713 . . . . 0.0 111.736 -172.271 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.545 1.048 0 N-CA-C 111.142 -0.369 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.14 120.88 7.34 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.659 2.239 . . . . 0.0 110.62 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 32.2 m -150.87 79.41 1.32 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.683 1.193 . . . . 0.0 110.88 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 61.9 t80 -81.89 -91.6 0.07 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.751 0.82 . . . . 0.0 110.606 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.08 -26.88 65.02 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.591 1.157 . . . . 0.0 112.6 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.66 -19.77 66.04 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.673 1.189 . . . . 0.0 113.909 174.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.1 t -106.75 -42.95 4.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.692 1.197 . . . . 0.0 112.238 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.6 pt . . . . . 0 N--CA 1.48 1.045 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -175.508 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.557 1.215 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.07 154.93 71.38 Favored 'Trans proline' 0 CA--C 1.55 1.289 0 C-N-CA 123.471 2.78 . . . . 0.0 113.625 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.53 110.99 3.01 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.001 3.134 . . . . 0.0 113.132 -168.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.61 24.86 72.72 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 123.827 0.727 . . . . 0.0 114.816 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -115.61 162.83 16.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.193 1.797 . . . . 0.0 111.334 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -131.8 150.5 52.13 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.831 1.652 . . . . 0.0 109.488 171.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.2 mp -141.78 123.45 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.473 1.509 . . . . 0.0 108.514 -168.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -131.38 159.17 38.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.285 1.034 . . . . 0.0 111.216 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -134.97 94.23 3.12 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.39 1.476 . . . . 0.0 109.177 -168.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 68.5 p -68.3 154.3 42.03 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.838 -0.539 . . . . 0.0 112.211 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.91 -16.87 32.95 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.84 -13.44 61.59 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 170.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 90.89 37.28 6.43 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.472 1.034 . . . . 0.0 113.196 -178.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -133.73 134.41 42.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.053 1.341 . . . . 0.0 111.477 -173.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -87.11 144.07 27.03 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.903 1.281 . . . . 0.0 111.321 173.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -137.83 158.32 44.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.301 1.84 . . . . 0.0 110.878 173.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -121.5 148.44 44.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.93 1.292 . . . . 0.0 110.268 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.27 130.73 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.439 1.896 . . . . 0.0 109.564 -167.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -121.78 88.29 2.91 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.303 1.441 . . . . 0.0 111.492 -172.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -56.04 -22.62 28.41 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.226 1.41 . . . . 0.0 114.462 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -64.29 -22.15 66.85 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.594 1.158 . . . . 0.0 113.547 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 13.8 t -149.96 17.56 0.87 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.759 1.224 . . . . 0.0 113.144 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 58.8 14.85 3.44 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 127.301 2.241 . . . . 0.0 115.581 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -80.1 167.3 20.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.366 1.067 . . . . 0.0 113.165 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 44.4 p -144.98 161.82 38.42 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.03 1.732 . . . . 0.0 111.531 178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.5 t -159.54 163.06 35.48 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.289 1.036 . . . . 0.0 112.2 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -87.19 -12.8 45.78 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.217 1.807 . . . . 0.0 113.388 -176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 CA--C 1.547 0.835 0 C-N-CA 126.052 1.741 . . . . 0.0 111.299 -172.445 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo . . . . . 0 CA--C 1.547 1.132 0 N-CA-C 110.767 -0.513 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -72.28 123.96 9.58 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.596 2.197 . . . . 0.0 110.819 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.5 m -148.78 93.98 2.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.656 1.182 . . . . 0.0 110.596 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 68.3 t80 -90.02 -92.04 0.13 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.83 0.852 . . . . 0.0 110.076 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.52 -31.8 66.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.559 1.144 . . . . 0.0 112.173 172.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.38 -23.05 66.6 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.554 1.142 . . . . 0.0 113.873 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 35.6 t -99.21 -38.17 9.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.64 1.176 . . . . 0.0 112.593 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 11.0 pt . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -174.75 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.151 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.17 156.89 64.09 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 C-N-CA 123.823 3.015 . . . . 0.0 113.572 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.8 115.16 4.19 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.909 3.072 . . . . 0.0 112.888 -171.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 63.73 29.56 75.1 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 123.793 0.711 . . . . 0.0 114.86 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -122.85 159.53 27.97 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.169 1.788 . . . . 0.0 111.142 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -126.66 147.49 49.92 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.566 1.546 . . . . 0.0 109.244 171.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.2 mp -141.06 128.43 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.821 1.248 . . . . 0.0 108.656 -170.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.11 161.17 35.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.673 1.189 . . . . 0.0 111.545 -172.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -132.7 106.48 7.79 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.999 1.719 . . . . 0.0 108.93 -173.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 80.7 p -74.67 159.65 31.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.301 0.641 . . . . 0.0 112.548 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.57 -17.17 53.86 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -69.95 -10.96 60.41 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 170.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.09 25.39 44.77 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.23 0.919 . . . . 0.0 113.243 -173.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -118.34 129.27 55.34 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.125 1.37 . . . . 0.0 110.515 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -90.25 145.57 24.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.649 1.58 . . . . 0.0 111.247 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -141.75 157.63 44.8 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.611 1.565 . . . . 0.0 111.119 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -117.53 147.75 42.5 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.942 1.297 . . . . 0.0 110.434 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 56.5 t -132.84 115.98 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 126.872 2.069 . . . . 0.0 108.655 -170.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -91.63 85.92 5.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.409 1.083 . . . . 0.0 110.644 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -18.21 7.4 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -71.72 -28.09 63.44 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.453 1.501 . . . . 0.0 113.874 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 34.5 p -136.58 -2.51 2.18 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 70.91 8.31 6.49 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.828 2.451 . . . . 0.0 114.413 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -63.69 163.86 10.78 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.718 1.207 . . . . 0.0 112.692 170.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 22.7 p -141.45 160.7 39.6 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.985 1.714 . . . . 0.0 111.005 173.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.1 t -158.94 157.84 32.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.097 0.959 . . . . 0.0 111.732 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -77.5 -23.84 50.2 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.533 1.533 . . . . 0.0 112.849 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 125.918 1.687 . . . . 0.0 111.636 -166.267 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo . . . . . 0 CA--C 1.545 1.059 0 N-CA-C 110.727 -0.528 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -70.96 128.64 15.19 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.38 2.053 . . . . 0.0 110.236 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 48.1 m -158.23 91.7 1.11 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.975 1.31 . . . . 0.0 109.657 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 49.6 t80 -91.82 -88.59 0.19 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.78 0.832 . . . . 0.0 109.664 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.93 -31.18 69.61 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.201 -0.937 . . . . 0.0 112.456 174.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.39 -14.29 62.89 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.5 t -100.13 -39.31 8.15 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.455 1.102 . . . . 0.0 112.147 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 9.8 pt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -176.924 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.554 1.13 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.6 155.56 68.53 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 123.691 2.928 . . . . 0.0 113.604 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.95 114.8 4.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.922 3.081 . . . . 0.0 113.01 -170.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.78 25.32 71.74 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 123.807 0.718 . . . . 0.0 114.838 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -119.72 161.97 19.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.217 1.807 . . . . 0.0 111.059 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -130.84 151.38 51.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.972 1.709 . . . . 0.0 109.679 170.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -140.37 124.88 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.429 1.491 . . . . 0.0 109.131 -169.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -131.52 158.98 39.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.638 1.175 . . . . 0.0 111.013 -171.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -133.31 97.57 4.01 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.499 1.519 . . . . 0.0 109.093 -167.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 70.8 p -68.18 154.37 41.85 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.686 0.794 . . . . 0.0 112.542 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.37 -15.24 56.86 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -67.14 -12.26 59.51 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 168.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.79 26.64 24.1 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.864 1.221 . . . . 0.0 113.075 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -128.24 126.07 40.18 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.338 1.055 . . . . 0.0 111.543 -169.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -84.11 143.9 29.38 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.316 1.847 . . . . 0.0 111.7 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -142.23 162.92 34.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.357 1.463 . . . . 0.0 110.976 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -121.46 152.39 39.17 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.705 1.602 . . . . 0.0 110.582 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.5 126.08 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 126.55 1.94 . . . . 0.0 109.86 -168.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -108.3 93.5 4.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.561 1.144 . . . . 0.0 111.808 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -58.49 -20.24 44.0 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -69.67 -25.03 63.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.172 0.989 . . . . 0.0 113.557 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 49.9 p -139.44 -3.27 1.53 Allowed 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 11.9 ttp-105 70.1 6.64 5.86 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.671 2.389 . . . . 0.0 114.393 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -68.14 164.26 20.75 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.446 1.099 . . . . 0.0 113.081 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 38.7 p -144.13 159.52 42.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.325 1.85 . . . . 0.0 111.663 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 2.9 t -158.19 149.51 21.14 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.464 1.106 . . . . 0.0 112.223 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -79.97 -46.32 16.88 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.291 1.036 . . . . 0.0 112.225 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 CA--C 1.545 0.757 0 C-N-CA 124.528 1.131 . . . . 0.0 111.918 174.599 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo . . . . . 0 CA--C 1.547 1.14 0 CA-C-O 119.27 -0.388 . . . . 0.0 111.311 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.53 127.97 14.69 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.637 2.225 . . . . 0.0 110.574 171.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 47.0 m -154.73 91.49 1.39 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.128 1.371 . . . . 0.0 110.225 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.71 -88.62 0.16 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.958 0.903 . . . . 0.0 110.392 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -62.71 -26.75 68.83 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.016 -1.053 . . . . 0.0 113.304 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.53 -7.19 36.12 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 173.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 46.5 t -112.95 -40.25 4.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.098 1.359 . . . . 0.0 112.617 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 13.6 pt . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.87 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.556 1.174 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.73 154.97 71.78 Favored 'Trans proline' 0 CA--C 1.549 1.271 0 C-N-CA 123.565 2.844 . . . . 0.0 113.451 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.88 115.08 4.16 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.923 3.082 . . . . 0.0 113.094 -169.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.71 29.42 75.08 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 114.809 0.684 . . . . 0.0 114.809 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -122.01 162.76 20.56 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.355 1.862 . . . . 0.0 111.676 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -130.37 150.61 51.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.814 1.646 . . . . 0.0 109.212 169.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.62 126.24 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.927 1.291 . . . . 0.0 108.939 -167.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -138.01 164.89 27.94 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.722 0.809 . . . . 0.0 113.155 -173.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -129.15 114.31 16.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.562 1.945 . . . . 0.0 108.723 -171.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 27.3 p -82.45 163.81 21.38 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.488 -0.758 . . . . 0.0 112.065 -177.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.26 -13.22 17.14 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -74.85 -9.51 58.62 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.4 1.08 . . . . 0.0 113.604 171.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.83 35.28 13.34 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.284 0.945 . . . . 0.0 113.176 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -132.99 142.37 48.8 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.047 1.339 . . . . 0.0 111.692 -172.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 34.4 ttp85 -102.03 142.89 32.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.13 1.372 . . . . 0.0 111.646 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -140.99 158.41 43.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.202 1.801 . . . . 0.0 110.757 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -117.09 148.3 41.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.67 1.188 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 93.8 t -133.33 116.85 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.916 2.087 . . . . 0.0 109.07 -169.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -95.43 85.3 4.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.201 1.401 . . . . 0.0 110.822 -175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -19.19 5.04 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -69.17 -26.97 65.12 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.521 1.128 . . . . 0.0 113.307 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 67.9 p -142.92 3.59 1.42 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -173.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 2.2 mtm-85 67.41 4.7 3.88 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 127.1 2.16 . . . . 0.0 115.102 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -66.54 166.18 13.18 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.535 1.534 . . . . 0.0 112.87 175.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 19.3 p -146.0 160.42 41.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.877 1.671 . . . . 0.0 111.477 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.8 t -159.07 159.89 35.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.266 1.026 . . . . 0.0 112.152 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -80.49 -14.06 58.58 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.969 1.708 . . . . 0.0 113.648 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 125.472 1.509 . . . . 0.0 111.943 -171.326 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 CA--C 1.541 0.866 0 N-CA-C 110.815 -0.494 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.68 119.62 6.55 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.552 2.168 . . . . 0.0 110.424 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.0 m -146.9 80.68 1.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.162 1.385 . . . . 0.0 109.64 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 40.7 t80 -85.5 -86.85 0.13 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.373 0.669 . . . . 0.0 109.829 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.42 -44.71 65.59 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.369 1.468 . . . . 0.0 112.13 173.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.98 -17.7 64.64 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.3 t -93.22 -42.85 9.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.87 0.868 . . . . 0.0 112.069 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 22.4 pt . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -173.809 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.555 1.143 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.98 157.05 63.38 Favored 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.877 3.052 . . . . 0.0 113.671 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -72.03 113.68 3.75 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.993 3.129 . . . . 0.0 113.089 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.52 27.07 72.18 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 123.81 0.719 . . . . 0.0 114.838 176.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -121.95 159.01 27.81 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.338 1.855 . . . . 0.0 111.131 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -127.0 151.52 48.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.43 1.892 . . . . 0.0 109.057 170.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -142.7 124.29 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.033 1.333 . . . . 0.0 108.502 -169.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.92 158.36 42.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.851 0.86 . . . . 0.0 111.957 -173.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -131.78 102.16 5.76 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.788 1.635 . . . . 0.0 108.582 -167.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 35.5 p -74.38 161.46 29.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.523 0.677 . . . . 0.0 112.27 -172.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.76 56.77 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -75.79 -8.86 57.9 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.419 1.088 . . . . 0.0 113.628 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 85.97 27.72 30.65 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.409 1.004 . . . . 0.0 113.481 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -117.85 120.4 37.8 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.529 1.132 . . . . 0.0 110.877 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -75.76 139.42 41.83 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.562 0.745 . . . . 0.0 110.619 169.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -136.27 161.04 36.88 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.771 1.628 . . . . 0.0 110.468 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -119.95 148.29 43.71 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.566 1.546 . . . . 0.0 109.981 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.82 123.33 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 126.509 1.924 . . . . 0.0 109.215 -168.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -101.72 118.46 36.98 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.755 1.222 . . . . 0.0 110.37 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -80.15 -16.03 55.79 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -71.84 -31.63 66.71 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.12 0.968 . . . . 0.0 113.13 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 12.6 t -145.18 22.92 1.52 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.394 1.478 . . . . 0.0 112.838 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 62.15 8.18 2.53 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 127.435 2.294 . . . . 0.0 115.98 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -69.85 163.52 25.7 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.373 1.469 . . . . 0.0 113.137 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 36.9 p -145.33 160.94 40.76 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.422 1.489 . . . . 0.0 111.912 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.5 t -160.15 157.89 29.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.395 1.078 . . . . 0.0 112.212 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -87.1 -11.92 48.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.846 1.658 . . . . 0.0 113.291 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 . . . . . 0 N--CA 1.474 0.769 0 C-N-CA 125.17 1.388 . . . . 0.0 112.141 -175.623 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 CA--C 1.546 1.098 0 CA-C-O 119.218 -0.409 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.7 125.55 10.65 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.626 2.217 . . . . 0.0 111.284 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.3 m -149.39 95.75 2.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.145 1.378 . . . . 0.0 110.078 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -91.35 -85.11 0.24 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.606 0.763 . . . . 0.0 109.905 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.62 -40.99 93.91 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.291 -0.88 . . . . 0.0 111.62 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.81 -15.46 30.28 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 47.5 t -92.05 -49.72 6.07 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.968 0.907 . . . . 0.0 112.207 169.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 20.6 pt . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.615 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 51.0 t . . . . . 0 N--CA 1.493 1.718 0 CA-C-O 118.905 -0.569 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 8.7 m -52.9 -22.61 5.74 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 118.395 2.739 . . . . 0.0 118.395 -162.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -135.74 17.07 3.31 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 125.229 1.411 . . . . 0.0 113.534 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.84 -15.5 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 126.045 1.738 . . . . 0.0 111.459 -174.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -119.97 19.13 12.4 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.996 1.718 . . . . 0.0 112.38 -178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -66.78 -179.87 0.96 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 126.262 1.825 . . . . 0.0 113.06 174.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -58.67 166.65 7.19 Favored Glycine 0 CA--C 1.547 2.082 0 C-N-CA 125.096 1.332 . . . . 0.0 116.032 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -69.05 150.46 72.57 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.117 3.212 . . . . 0.0 113.245 -172.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.33 155.49 76.69 Favored Pre-proline 0 CA--C 1.555 1.169 0 C-N-CA 123.736 0.814 . . . . 0.0 113.148 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -67.75 156.42 66.06 Favored 'Trans proline' 0 CA--C 1.55 1.291 0 C-N-CA 123.813 3.009 . . . . 0.0 113.668 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -72.93 113.74 3.85 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 124.083 3.189 . . . . 0.0 113.16 -170.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 67.37 25.66 73.65 Favored Glycine 0 CA--C 1.537 1.445 0 N-CA-C 114.859 0.704 . . . . 0.0 114.859 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -120.38 161.59 20.92 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.296 1.838 . . . . 0.0 111.276 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -129.93 150.78 51.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.184 1.794 . . . . 0.0 109.245 171.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.9 mp -142.42 124.16 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 125.194 1.398 . . . . 0.0 108.643 -168.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -131.28 160.09 35.95 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.339 1.056 . . . . 0.0 111.709 -171.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -132.3 109.33 9.81 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.878 1.671 . . . . 0.0 108.871 -171.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 70.4 p -81.16 160.5 24.36 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.347 0.659 . . . . 0.0 112.417 -175.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.12 -16.16 59.09 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.51 -11.59 60.07 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.738 1.215 . . . . 0.0 114.032 170.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 85.08 31.88 21.98 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 124.333 0.968 . . . . 0.0 113.329 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -127.93 156.1 43.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.289 1.435 . . . . 0.0 111.708 -176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -116.83 140.74 49.09 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.713 1.605 . . . . 0.0 110.753 -174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -139.99 155.78 46.95 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.258 1.423 . . . . 0.0 110.937 -175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -118.96 146.77 44.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.855 1.262 . . . . 0.0 110.166 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 93.6 t -135.97 123.12 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 126.248 1.819 . . . . 0.0 109.545 -168.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.72 104.06 13.8 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.119 1.367 . . . . 0.0 110.512 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -66.98 -19.57 65.74 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -71.02 -31.39 67.86 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.453 1.101 . . . . 0.0 113.382 -176.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 49.6 p -133.5 4.11 3.64 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.543 1.537 . . . . 0.0 113.612 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.5 ttm105 62.35 14.28 6.71 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.585 2.354 . . . . 0.0 114.751 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -71.34 163.18 28.17 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.393 1.477 . . . . 0.0 112.982 175.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 27.2 p -147.75 153.1 38.81 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.812 1.645 . . . . 0.0 111.146 179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.7 t -156.09 161.16 40.42 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.763 0.825 . . . . 0.0 112.663 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -83.96 -12.85 54.71 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.291 1.836 . . . . 0.0 113.64 -176.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -150.63 -165.44 2.27 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.131 1.773 . . . . 0.0 111.505 -173.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -118.27 73.92 10.6 Favored Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 124.679 1.192 . . . . 0.0 111.455 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.6 173.07 15.12 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.941 3.094 . . . . 0.0 112.93 -176.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 21.7 mmt85 -56.02 149.26 35.46 Favored Pre-proline 0 N--CA 1.478 0.928 0 C-N-CA 124.616 1.166 . . . . 0.0 112.189 169.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -66.49 138.94 51.96 Favored 'Trans proline' 0 CA--C 1.541 0.838 0 C-N-CA 122.821 2.347 . . . . 0.0 110.747 171.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 163.25 -153.46 23.98 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 123.789 0.709 . . . . 0.0 113.377 -172.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -54.99 152.47 13.7 Favored Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 125.068 1.347 . . . . 0.0 113.218 173.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.3 3.334 . . . . 0.0 114.363 -176.57 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 71.3 m-80 . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 21.0 p -81.2 136.12 35.82 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 124.379 1.072 . . . . 0.0 111.253 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 142.7 71.09 0.03 OUTLIER Glycine 0 N--CA 1.47 0.94 0 C-N-CA 123.555 0.598 . . . . 0.0 113.07 178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -52.8 137.5 31.63 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 117.625 0.712 . . . . 0.0 112.355 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 18.2 tptt -142.68 -174.59 4.2 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 126.631 1.972 . . . . 0.0 110.253 -174.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -56.14 118.37 20.81 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 118.643 0.656 . . . . 0.0 110.664 170.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.44 127.33 11.72 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 C-N-CA 122.486 2.124 . . . . 0.0 111.037 -176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.72 121.85 8.31 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 122.497 2.131 . . . . 0.0 110.594 174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 73.3 m -148.99 93.4 2.1 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.371 1.468 . . . . 0.0 109.773 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -87.7 -89.29 0.13 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.799 0.839 . . . . 0.0 109.81 176.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.95 -36.72 68.12 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.498 1.519 . . . . 0.0 112.238 174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 24.0 t70 -68.9 -17.14 63.93 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.2 t -95.29 -38.97 10.29 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.232 1.013 . . . . 0.0 112.209 173.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 12.3 pt -85.36 20.15 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -175.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 17.7 pttp . . . . . 0 C--O 1.252 1.213 0 C-N-CA 125.776 1.631 . . . . 0.0 113.312 -179.639 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.495 1.789 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 6.5 m -53.45 -26.85 21.92 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 118.453 2.76 . . . . 0.0 118.453 -159.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -128.37 15.94 6.6 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.222 1.409 . . . . 0.0 113.564 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.91 -25.01 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.849 1.66 . . . . 0.0 110.987 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -126.56 48.44 2.15 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.697 1.599 . . . . 0.0 110.768 -177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.78 146.39 46.25 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.035 1.334 . . . . 0.0 112.602 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 76.73 -177.54 51.62 Favored Glycine 0 CA--C 1.545 1.957 0 C-N-CA 124.185 0.898 . . . . 0.0 114.388 -177.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -71.91 153.15 58.3 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.671 2.914 . . . . 0.0 112.179 177.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.88 154.97 80.63 Favored Pre-proline 0 CA--C 1.556 1.194 0 C-N-CA 123.285 0.634 . . . . 0.0 112.708 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.73 156.17 66.35 Favored 'Trans proline' 0 CA--C 1.549 1.269 0 C-N-CA 123.676 2.917 . . . . 0.0 113.584 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -71.88 112.79 3.48 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.026 3.151 . . . . 0.0 113.167 -169.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.21 23.49 71.53 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 123.911 0.767 . . . . 0.0 114.935 176.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -116.66 160.71 20.31 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.116 1.766 . . . . 0.0 111.181 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -130.02 149.62 51.65 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.246 1.819 . . . . 0.0 109.019 171.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.2 mp -143.5 121.02 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.08 1.352 . . . . 0.0 108.315 -168.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -129.35 159.81 35.02 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.14 0.976 . . . . 0.0 111.542 -171.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -129.51 97.45 4.55 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.71 1.604 . . . . 0.0 108.971 -168.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 80.4 p -67.01 153.87 42.58 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.625 0.77 . . . . 0.0 112.01 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.37 -14.47 50.48 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -65.97 -12.86 58.0 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.768 1.227 . . . . 0.0 113.884 167.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 88.48 31.31 13.72 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.801 1.191 . . . . 0.0 112.938 -175.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -131.16 129.34 41.64 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.535 1.134 . . . . 0.0 111.682 -169.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -86.34 142.19 28.67 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.015 1.326 . . . . 0.0 111.59 177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -139.33 157.98 44.94 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 125.566 1.547 . . . . 0.0 110.568 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -114.29 151.0 33.6 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.443 1.497 . . . . 0.0 110.607 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.4 t -139.19 129.2 31.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 126.656 1.982 . . . . 0.0 108.949 -169.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -115.2 114.48 25.3 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.324 1.05 . . . . 0.0 110.368 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -74.86 -19.95 59.95 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -67.44 -29.44 68.91 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.04 0.936 . . . . 0.0 112.992 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 72.0 p -134.14 6.03 3.59 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.631 1.572 . . . . 0.0 113.66 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 65.85 2.63 2.24 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 128.226 2.61 . . . . 0.0 115.248 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 10.2 ptm85 -75.68 171.98 13.41 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.625 1.17 . . . . 0.0 113.858 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 48.2 p -143.85 163.62 32.87 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.571 1.548 . . . . 0.0 112.095 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.0 t -160.48 157.54 27.77 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.88 1.272 . . . . 0.0 111.568 175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -82.73 -15.33 52.25 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.032 1.333 . . . . 0.0 113.333 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -136.01 -165.62 1.74 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.877 1.271 . . . . 0.0 112.33 -172.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -119.26 73.96 14.59 Favored Pre-proline 0 CA--C 1.549 0.917 0 C-N-CA 124.503 1.121 . . . . 0.0 111.044 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -73.96 179.28 5.87 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 123.964 3.109 . . . . 0.0 112.561 -178.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -52.47 148.46 12.32 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 125.194 1.398 . . . . 0.0 112.657 173.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -71.59 -14.82 30.58 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 123.646 2.897 . . . . 0.0 114.427 -175.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -76.03 54.73 3.08 Favored Glycine 0 CA--C 1.535 1.303 0 C-N-CA 125.862 1.696 . . . . 0.0 113.674 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -132.75 63.88 69.09 Favored Pre-proline 0 CA--C 1.552 1.039 0 C-N-CA 125.61 1.564 . . . . 0.0 112.684 -172.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--O 1.253 1.253 0 C-N-CA 123.121 2.547 . . . . 0.0 111.377 170.344 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 19.2 t30 . . . . . 0 N--CA 1.485 1.297 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 25.4 p -144.89 171.12 14.89 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 125.406 1.482 . . . . 0.0 111.879 -175.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -170.07 -172.93 37.04 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.436 1.493 . . . . 0.0 112.168 179.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -55.26 128.46 34.13 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.789 0.836 . . . . 0.0 112.055 176.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -153.62 -179.33 7.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.526 1.93 . . . . 0.0 110.024 -172.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -54.16 116.53 10.65 Favored Pre-proline 0 CA--C 1.548 0.895 0 CA-C-N 119.323 0.965 . . . . 0.0 111.43 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -73.94 124.05 8.86 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 122.324 2.016 . . . . 0.0 110.634 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.51 133.97 29.43 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 122.258 1.972 . . . . 0.0 110.146 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 39.5 m -158.73 84.3 0.82 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.961 1.304 . . . . 0.0 109.881 -177.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 60.5 t80 -80.34 -88.94 0.07 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.52 0.728 . . . . 0.0 110.243 177.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -60.16 -32.09 70.72 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.046 -1.034 . . . . 0.0 112.595 176.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -67.59 -11.7 58.72 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 19.3 t -109.1 -30.4 8.07 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.628 1.171 . . . . 0.0 112.978 174.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.5 pt -89.93 17.64 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.99 1.716 . . . . 0.0 113.382 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 46.1 t . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 118.161 -0.923 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 13.8 m -51.94 -25.4 8.12 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 119.886 3.291 . . . . 0.0 119.886 -160.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -130.34 16.24 5.52 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.792 1.237 . . . . 0.0 113.811 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.25 -5.18 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.032 0 C-N-CA 126.232 1.813 . . . . 0.0 110.789 -177.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -141.24 44.41 1.77 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.304 1.842 . . . . 0.0 110.767 -175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -61.93 149.02 41.77 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.876 -1.14 . . . . 0.0 112.911 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 83.32 -179.02 52.74 Favored Glycine 0 CA--C 1.544 1.875 0 C-N-CA 124.485 1.041 . . . . 0.0 114.284 -177.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.92 154.07 63.32 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.683 2.922 . . . . 0.0 112.286 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.65 154.62 93.04 Favored Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 123.508 0.723 . . . . 0.0 112.665 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.85 154.01 74.09 Favored 'Trans proline' 0 CA--C 1.549 1.246 0 C-N-CA 123.468 2.779 . . . . 0.0 113.662 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.47 112.02 3.25 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.937 3.091 . . . . 0.0 112.987 -169.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.81 26.61 72.21 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 123.705 0.669 . . . . 0.0 114.706 178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -120.77 163.29 18.35 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.652 1.981 . . . . 0.0 111.309 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -137.8 149.09 46.08 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.148 1.779 . . . . 0.0 108.648 178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -144.98 129.95 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 120.941 -1.1 . . . . 0.0 109.843 -168.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -124.76 153.01 43.08 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.024 1.33 . . . . 0.0 111.153 -174.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -120.48 106.19 11.57 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 126.102 1.761 . . . . 0.0 108.195 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 74.2 p -74.3 156.78 36.79 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.792 0.837 . . . . 0.0 112.328 -176.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.45 57.27 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.62 -12.33 61.2 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 124.682 1.193 . . . . 0.0 114.031 170.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.76 32.65 12.54 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.187 0.898 . . . . 0.0 113.231 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -135.96 144.48 45.43 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.095 1.358 . . . . 0.0 111.861 -173.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 24.0 ttp180 -103.53 143.24 32.99 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.645 1.178 . . . . 0.0 111.685 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -140.05 143.78 36.54 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.167 1.387 . . . . 0.0 110.902 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -98.98 149.99 22.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.285 1.034 . . . . 0.0 111.093 177.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 73.2 t -138.42 128.23 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 127.111 2.164 . . . . 0.0 108.939 -171.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -112.64 119.93 39.79 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.772 1.229 . . . . 0.0 110.256 179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -82.37 -11.19 58.73 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.723 1.009 . . . . 0.0 113.723 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -77.46 -32.47 54.48 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.597 1.159 . . . . 0.0 112.474 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 64.8 p -134.67 7.73 3.54 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.961 1.704 . . . . 0.0 113.455 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 9.7 ttm105 67.4 7.71 5.75 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 127.521 2.329 . . . . 0.0 114.983 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -70.8 167.27 19.22 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.463 1.505 . . . . 0.0 113.458 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 28.2 p -145.44 159.53 42.94 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.341 1.856 . . . . 0.0 111.346 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -157.51 149.77 22.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.53 0.732 . . . . 0.0 112.532 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -74.73 -15.95 60.76 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.879 1.672 . . . . 0.0 113.2 177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -143.49 -172.42 3.71 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.051 2.141 . . . . 0.0 111.036 -174.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -113.31 77.2 2.88 Favored Pre-proline 0 CA--C 1.553 1.06 0 C-N-CA 124.924 1.29 . . . . 0.0 111.977 -177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.0 -178.74 4.05 Favored 'Trans proline' 0 CA--C 1.544 1.011 0 C-N-CA 124.326 3.351 . . . . 0.0 112.772 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -51.9 147.87 11.55 Favored Pre-proline 0 N--CA 1.48 1.027 0 C-N-CA 124.568 1.147 . . . . 0.0 112.255 169.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.33 70.17 3.22 Favored 'Trans proline' 0 CA--C 1.547 1.172 1 C-N-CA 125.325 4.017 . . . . 0.0 113.161 -174.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 142.67 -12.25 2.43 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 126.313 1.911 . . . . 0.0 114.096 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . 38.29 58.13 5.1 Favored Pre-proline 0 CA--C 1.559 1.323 0 C-N-CA 126.632 1.973 . . . . 0.0 114.746 -173.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo . . . . . 0 C--O 1.251 1.159 0 C-N-CA 124.272 3.314 . . . . 0.0 113.512 -176.156 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 20.7 p -134.56 149.11 50.6 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.651 1.181 . . . . 0.0 113.143 -175.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 147.71 163.93 10.96 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.217 1.865 . . . . 0.0 112.007 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -68.23 143.12 55.42 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 121.678 -0.895 . . . . 0.0 111.276 170.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 18.3 tptt -149.51 -176.32 5.35 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.24 1.816 . . . . 0.0 110.022 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -56.24 118.58 22.15 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 118.835 0.743 . . . . 0.0 110.992 172.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.62 126.62 10.98 Favored 'Trans proline' 0 CA--C 1.545 1.037 0 C-N-CA 122.406 2.071 . . . . 0.0 110.907 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.27 122.52 8.77 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.449 2.099 . . . . 0.0 110.51 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.3 m -148.94 77.77 1.38 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.137 1.375 . . . . 0.0 110.14 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 61.6 t80 -78.67 -89.59 0.05 OUTLIER 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.624 0.77 . . . . 0.0 110.571 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -61.09 -29.27 69.65 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.727 -1.233 . . . . 0.0 112.661 174.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -70.65 -7.75 46.73 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 20.0 t -115.25 -36.61 4.3 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.564 1.145 . . . . 0.0 112.503 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 1.2 pt -88.05 22.1 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 124.032 0.933 . . . . 0.0 113.48 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? . . . . . 0 C--O 1.254 1.32 0 C-N-CA 128.585 2.754 . . . . 0.0 116.145 -178.314 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . 0.263 9.9 p . . . . . 0 N--CA 1.493 1.71 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 70.8 m -57.92 -28.66 64.46 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 117.422 2.379 . . . . 0.0 117.422 -163.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -135.3 16.75 3.43 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.901 1.28 . . . . 0.0 113.577 176.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -133.75 18.15 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 C-N-CA 125.562 1.545 . . . . 0.0 111.192 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -144.98 17.28 1.59 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 125.123 1.369 . . . . 0.0 112.57 179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -81.91 167.62 18.76 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.127 1.371 . . . . 0.0 112.858 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -79.43 169.91 53.97 Favored Glycine 0 CA--C 1.546 1.979 0 C-N-CA 124.256 0.931 . . . . 0.0 114.869 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -73.84 161.86 40.61 Favored 'Trans proline' 0 CA--C 1.542 0.906 0 C-N-CA 124.305 3.337 . . . . 0.0 112.892 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.3 155.19 66.66 Favored Pre-proline 0 CA--C 1.557 1.219 0 C-N-CA 123.638 0.775 . . . . 0.0 112.898 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.93 158.71 55.83 Favored 'Trans proline' 0 CA--C 1.55 1.287 0 C-N-CA 124.049 3.166 . . . . 0.0 113.774 177.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -72.35 113.56 3.74 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.983 3.122 . . . . 0.0 113.178 -171.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 62.57 25.92 67.72 Favored Glycine 0 CA--C 1.539 1.555 0 C-N-CA 123.949 0.785 . . . . 0.0 114.97 176.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 48.8 m95 -116.55 157.71 24.82 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.42 1.888 . . . . 0.0 110.728 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -125.39 147.5 49.15 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.016 1.726 . . . . 0.0 109.068 170.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.1 mp -140.99 125.71 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.467 1.107 . . . . 0.0 108.244 -171.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -131.39 157.73 42.65 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.2 1.0 . . . . 0.0 111.154 -173.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -124.17 105.35 9.44 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.866 1.666 . . . . 0.0 108.651 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 67.4 p -65.76 145.72 55.65 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.376 0.67 . . . . 0.0 111.346 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -60.84 -22.26 64.02 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.009 1.115 . . . . 0.0 114.009 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.53 -15.3 63.49 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.06 1.344 . . . . 0.0 114.254 171.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 113.61 23.85 4.9 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.697 1.142 . . . . 0.0 115.82 168.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -135.21 142.14 45.97 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.442 1.621 . . . . 0.0 113.098 -173.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -88.63 143.5 26.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.719 1.608 . . . . 0.0 111.952 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -139.18 154.68 48.09 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.194 1.797 . . . . 0.0 110.488 176.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -114.2 146.22 40.66 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.455 1.102 . . . . 0.0 110.832 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 92.8 t -135.56 128.55 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 C-N-CA 126.932 2.093 . . . . 0.0 109.359 -169.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -115.96 118.41 32.86 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.452 1.101 . . . . 0.0 109.984 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -78.46 -17.38 56.39 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -69.92 -31.76 69.7 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.871 1.268 . . . . 0.0 113.139 -174.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 28.2 p -131.18 8.07 4.68 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 124.993 1.317 . . . . 0.0 113.469 172.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.4 ttm-85 69.36 2.65 3.79 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.866 2.466 . . . . 0.0 115.141 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -69.81 169.27 13.37 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.27 1.428 . . . . 0.0 113.948 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 15.6 p -145.26 162.79 36.32 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.106 1.763 . . . . 0.0 111.593 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.5 t -160.4 156.93 26.91 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.014 0.926 . . . . 0.0 112.678 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -85.74 -16.94 37.3 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.885 1.674 . . . . 0.0 113.402 -179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -126.47 -167.64 1.75 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.255 1.822 . . . . 0.0 110.757 -174.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -118.4 75.85 12.35 Favored Pre-proline 0 CA--C 1.548 0.896 0 O-C-N 121.061 -1.025 . . . . 0.0 110.845 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -73.52 -171.0 0.74 Allowed 'Trans proline' 0 CA--C 1.547 1.125 0 C-N-CA 124.576 3.517 . . . . 0.0 112.098 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 -51.21 148.56 8.18 Favored Pre-proline 0 N--CA 1.479 1.021 0 O-C-N 121.159 -0.963 . . . . 0.0 112.137 170.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -65.58 -37.67 28.22 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.717 2.278 . . . . 0.0 113.346 -175.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 60.37 -173.66 5.3 Favored Glycine 0 CA--C 1.541 1.684 0 C-N-CA 124.462 1.03 . . . . 0.0 114.286 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 557' ' ' PRO . . . 57.68 172.1 0.05 OUTLIER Pre-proline 0 CA--C 1.563 1.443 0 C-N-CA 126.174 1.789 . . . . 0.0 115.358 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 556' ' ' ALA . 48.5 Cg_endo . . . . . 0 C--O 1.251 1.15 0 C-N-CA 123.176 2.584 . . . . 0.0 112.907 170.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 62.2 m-80 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 121.041 0.448 . . . . 0.0 110.49 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 12.8 p -150.03 156.0 40.9 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 126.59 1.956 . . . . 0.0 110.26 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 154.1 -165.98 31.9 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.238 0.923 . . . . 0.0 112.842 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -59.16 111.05 1.2 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.6 0.76 . . . . 0.0 111.108 169.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 12.9 mptt -134.19 169.28 17.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.424 2.29 . . . . 0.0 110.0 -177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.54 113.35 3.55 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.939 1.296 . . . . 0.0 109.869 171.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -74.21 115.62 4.37 Favored 'Trans proline' 0 CA--C 1.544 0.983 0 C-N-CA 121.97 1.78 . . . . 0.0 110.333 -177.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.53 124.13 10.49 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 122.085 1.857 . . . . 0.0 110.328 176.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.9 m -147.74 85.63 1.57 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.325 1.45 . . . . 0.0 109.326 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 75.0 t80 -82.66 -88.52 0.09 Allowed 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.753 0.821 . . . . 0.0 109.306 175.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.54 -34.06 72.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.623 1.569 . . . . 0.0 112.242 177.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 25.2 t70 -70.2 -15.34 62.92 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 177.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.5 t -100.14 -40.57 7.52 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.193 0.997 . . . . 0.0 112.027 174.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 2.4 pt -81.99 27.97 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.992 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.257 0 C-N-CA 126.054 1.742 . . . . 0.0 113.54 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 N--CA 1.496 1.834 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 5.7 m -54.22 -27.13 32.51 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 118.274 2.694 . . . . 0.0 118.274 -160.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -133.7 26.53 4.02 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.065 1.346 . . . . 0.0 113.101 173.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 4.2 mp -129.02 -15.05 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 C-N-CA 125.988 1.715 . . . . 0.0 111.251 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -128.52 37.74 4.08 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 125.958 1.703 . . . . 0.0 111.656 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -69.16 -166.94 0.1 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 124.984 1.313 . . . . 0.0 112.831 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -62.02 -173.15 1.53 Allowed Glycine 0 CA--C 1.549 2.208 0 C-N-CA 124.954 1.264 . . . . 0.0 114.965 166.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -64.66 160.38 40.49 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 123.703 2.935 . . . . 0.0 113.405 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.93 150.9 76.2 Favored Pre-proline 0 CA--C 1.556 1.197 0 C-N-CA 124.265 1.026 . . . . 0.0 113.454 -173.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.75 152.39 80.66 Favored 'Trans proline' 0 CA--C 1.548 1.221 0 C-N-CA 123.355 2.703 . . . . 0.0 113.629 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.04 111.72 2.94 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.967 3.111 . . . . 0.0 113.122 -166.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.84 22.52 72.08 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 123.955 0.788 . . . . 0.0 114.873 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -112.68 161.54 16.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.883 1.673 . . . . 0.0 111.516 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -129.85 149.64 51.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.297 1.839 . . . . 0.0 108.938 170.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.3 mp -143.03 122.66 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 125.151 1.38 . . . . 0.0 108.365 -169.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 5.7 mtp180 -130.6 160.26 34.72 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.079 0.952 . . . . 0.0 111.746 -171.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -130.39 110.45 11.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.945 1.698 . . . . 0.0 108.953 -173.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 55.7 p -79.22 161.7 26.19 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.426 0.632 . . . . 0.0 112.034 -178.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.99 -15.24 42.46 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.94 -10.75 60.26 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 170.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 86.25 34.17 12.95 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.338 0.97 . . . . 0.0 113.115 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -128.37 134.07 48.77 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.96 1.304 . . . . 0.0 111.353 -170.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -95.47 138.16 33.54 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.294 1.438 . . . . 0.0 110.836 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -137.55 155.22 49.48 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.607 1.563 . . . . 0.0 110.439 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -115.58 148.13 39.94 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.236 1.014 . . . . 0.0 110.526 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 99.6 t -137.24 128.12 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 126.653 1.981 . . . . 0.0 109.037 -168.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -115.67 111.43 20.6 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.45 1.1 . . . . 0.0 110.484 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -71.32 -21.21 62.09 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.261 0.837 . . . . 0.0 113.261 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -68.04 -29.91 69.0 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.963 0.905 . . . . 0.0 113.248 -176.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 68.6 p -133.48 8.19 3.91 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.401 1.48 . . . . 0.0 113.522 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 7.8 ttm180 63.79 2.99 1.44 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.174 2.589 . . . . 0.0 115.512 -176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 15.1 ptm180 -73.53 170.85 14.3 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.781 1.232 . . . . 0.0 113.652 -176.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 51.3 p -143.02 165.26 27.84 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.796 1.638 . . . . 0.0 111.516 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 4.9 t -160.28 157.4 28.01 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.126 0.971 . . . . 0.0 112.392 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -79.66 -12.44 59.82 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.31 1.844 . . . . 0.0 113.812 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -148.53 -164.43 2.02 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.799 1.639 . . . . 0.0 111.506 -171.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -118.86 75.77 13.78 Favored Pre-proline 0 CA--C 1.549 0.915 0 O-C-N 120.935 -1.103 . . . . 0.0 110.937 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -75.08 -174.78 2.07 Favored 'Trans proline' 0 CA--C 1.545 1.066 0 C-N-CA 124.247 3.298 . . . . 0.0 112.496 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 7.7 ptp85 -47.23 145.01 3.9 Favored Pre-proline 0 N--CA 1.478 0.97 0 C-N-CA 125.414 1.486 . . . . 0.0 113.198 173.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -69.94 166.13 28.85 Favored 'Trans proline' 0 CA--C 1.54 0.792 0 C-N-CA 123.13 2.554 . . . . 0.0 112.592 -178.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -128.77 124.14 4.52 Favored Glycine 0 CA--C 1.53 0.999 0 C-N-CA 125.119 1.342 . . . . 0.0 111.276 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . 38.25 56.42 4.83 Favored Pre-proline 0 CA--C 1.56 1.341 0 C-N-CA 126.539 1.936 . . . . 0.0 115.388 -174.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo . . . . . 0 C--O 1.254 1.319 0 C-N-CA 123.951 3.101 . . . . 0.0 113.427 -179.559 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 19.8 m120 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 121.021 0.439 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 33.9 p -77.44 166.89 22.52 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.78 1.632 . . . . 0.0 113.511 -178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 114.42 176.93 19.04 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 125.357 1.456 . . . . 0.0 113.816 174.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -66.85 105.29 1.56 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.673 0.789 . . . . 0.0 110.75 171.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 20.5 tptt -141.45 -170.45 3.09 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.806 2.042 . . . . 0.0 110.012 -175.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -53.4 118.64 15.01 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-N 119.036 0.835 . . . . 0.0 111.196 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.1 123.43 8.33 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 122.444 2.096 . . . . 0.0 110.901 -177.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.24 128.29 14.5 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.42 2.08 . . . . 0.0 110.441 173.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 49.9 m -152.14 85.92 1.29 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.697 1.199 . . . . 0.0 110.139 -177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 55.6 t80 -81.71 -88.78 0.08 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.457 0.703 . . . . 0.0 110.214 177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -60.96 -31.95 71.49 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 120.898 -1.126 . . . . 0.0 112.313 174.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.96 -4.82 18.18 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 40.2 t -114.31 -41.28 3.5 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.823 1.249 . . . . 0.0 111.974 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 1.3 pt -88.15 18.73 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 114.298 1.222 . . . . 0.0 114.298 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? . . . . . 0 C--O 1.252 1.215 0 C-N-CA 127.176 2.19 . . . . 0.0 113.847 177.46 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.495 1.816 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 14.6 m -54.76 -25.45 27.9 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 118.382 2.734 . . . . 0.0 118.382 -160.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -126.87 16.55 7.39 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.939 1.295 . . . . 0.0 113.753 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 2.8 mp -128.48 2.35 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.103 0 C-N-CA 126.599 1.96 . . . . 0.0 110.771 -176.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.69 36.48 0.63 Allowed 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.19 -1.569 . . . . 0.0 113.348 -172.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -54.92 143.11 27.15 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.889 1.275 . . . . 0.0 113.456 -178.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 98.31 174.0 32.72 Favored Glycine 0 CA--C 1.545 1.931 0 C-N-CA 125.171 1.367 . . . . 0.0 114.535 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -74.02 161.96 40.02 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 124.127 3.218 . . . . 0.0 112.685 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.71 156.06 55.93 Favored Pre-proline 0 CA--C 1.555 1.172 0 C-N-CA 123.902 0.881 . . . . 0.0 112.669 179.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.33 157.45 61.17 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.79 2.993 . . . . 0.0 113.752 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -72.11 112.68 3.48 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.028 3.152 . . . . 0.0 113.071 -170.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 64.92 27.61 72.4 Favored Glycine 0 CA--C 1.539 1.574 0 N-CA-C 114.858 0.703 . . . . 0.0 114.858 176.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -121.25 160.03 24.73 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.521 1.928 . . . . 0.0 111.135 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -128.2 150.76 49.88 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.034 1.734 . . . . 0.0 109.382 170.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -141.04 122.19 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 125.55 1.54 . . . . 0.0 108.422 -170.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.49 157.94 41.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.781 0.832 . . . . 0.0 111.581 -173.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -130.95 99.83 5.04 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.806 1.642 . . . . 0.0 108.846 -167.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 71.6 p -69.77 157.29 37.6 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.47 0.708 . . . . 0.0 112.559 -175.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.25 -13.39 27.63 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -73.76 -8.99 58.18 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.531 1.133 . . . . 0.0 113.78 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.81 30.63 25.91 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.059 0.838 . . . . 0.0 113.166 -176.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -129.5 132.12 46.82 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.783 1.233 . . . . 0.0 111.471 -175.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 10.7 ttp85 -88.47 143.83 26.74 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.716 1.606 . . . . 0.0 111.265 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -139.22 157.01 46.67 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 125.888 1.675 . . . . 0.0 110.493 175.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -117.86 149.52 40.71 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.703 1.201 . . . . 0.0 110.346 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 90.2 t -135.21 125.62 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 126.449 1.9 . . . . 0.0 109.565 -168.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -108.55 100.32 9.59 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.087 1.355 . . . . 0.0 110.716 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -63.78 -18.87 64.52 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 177.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -71.45 -28.53 64.03 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.242 1.017 . . . . 0.0 113.235 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 62.3 p -133.56 4.94 3.68 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.144 1.378 . . . . 0.0 113.903 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 64.44 3.63 1.94 Allowed 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.599 2.359 . . . . 0.0 114.632 -172.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -72.78 168.34 19.01 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.17 1.388 . . . . 0.0 113.089 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 34.1 p -145.44 161.92 38.56 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.891 1.677 . . . . 0.0 111.363 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.8 t -158.81 160.1 35.86 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.904 0.882 . . . . 0.0 112.605 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -84.31 -11.29 56.64 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.387 1.875 . . . . 0.0 113.395 -178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -142.67 -168.62 2.8 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.81 1.644 . . . . 0.0 111.642 -172.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -115.27 75.0 4.23 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.485 1.114 . . . . 0.0 111.479 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -75.89 -174.24 1.97 Allowed 'Trans proline' 0 CA--C 1.545 1.05 0 C-N-CA 124.264 3.309 . . . . 0.0 112.356 -179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -44.88 138.91 3.99 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 125.594 1.558 . . . . 0.0 113.05 171.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.11 -27.14 14.18 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.987 2.458 . . . . 0.0 113.749 -175.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 70.23 -177.36 32.57 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.454 1.026 . . . . 0.0 114.723 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -148.18 59.98 4.84 Favored Pre-proline 0 CA--C 1.555 1.169 0 C-N-CA 125.277 1.431 . . . . 0.0 111.726 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo . . . . . 0 C--O 1.253 1.23 0 C-N-CA 124.154 3.236 . . . . 0.0 113.458 -176.387 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 4.0 t30 . . . . . 0 N--CA 1.488 1.427 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 37.9 p -66.26 167.59 10.07 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.55 0.74 . . . . 0.0 112.317 169.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -167.58 -143.06 3.65 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.686 1.136 . . . . 0.0 112.345 -173.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . 47.99 51.92 13.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.869 1.667 . . . . 0.0 114.118 176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.58 -169.91 1.72 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.506 1.922 . . . . 0.0 111.907 -173.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -49.81 118.92 9.22 Favored Pre-proline 0 CA--C 1.546 0.825 0 C-N-CA 123.887 0.875 . . . . 0.0 111.289 170.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.44 121.12 6.89 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 122.268 1.979 . . . . 0.0 110.565 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.31 129.71 17.47 Favored 'Trans proline' 0 CA--C 1.539 0.725 0 C-N-CA 122.329 2.019 . . . . 0.0 110.557 174.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 57.8 m -152.53 87.57 1.31 Allowed 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.712 1.205 . . . . 0.0 109.687 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.5 t80 -82.65 -87.16 0.1 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.52 0.728 . . . . 0.0 109.943 176.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -59.73 -35.34 74.35 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.014 -1.054 . . . . 0.0 112.895 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.58 -7.13 35.96 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 34.7 t -105.45 -38.85 6.33 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.211 1.004 . . . . 0.0 112.748 169.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 7.1 pt -81.18 -19.23 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -177.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 40.0 mttp . . . . . 0 C--O 1.255 1.38 0 CA-C-N 119.454 1.025 . . . . 0.0 111.393 168.812 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 55.6 t . . . . . 0 N--CA 1.496 1.864 0 CA-C-O 118.908 -0.567 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 8.6 m -50.14 -26.96 5.05 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 118.95 2.945 . . . . 0.0 118.95 -159.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -131.69 17.73 4.75 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.749 1.22 . . . . 0.0 113.575 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.6 -19.24 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 125.681 1.593 . . . . 0.0 111.303 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 37.5 t-20 -132.75 44.75 2.83 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.773 1.629 . . . . 0.0 111.415 -175.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.16 152.15 25.22 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.892 1.277 . . . . 0.0 113.044 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 87.36 -177.47 47.28 Favored Glycine 0 CA--C 1.544 1.862 0 C-N-CA 124.469 1.033 . . . . 0.0 114.332 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.87 154.62 63.24 Favored 'Trans proline' 0 CA--C 1.542 0.877 0 C-N-CA 123.803 3.002 . . . . 0.0 112.321 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.28 154.68 74.55 Favored Pre-proline 0 CA--C 1.556 1.177 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -67.55 155.75 68.93 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 124.207 3.271 . . . . 0.0 113.745 178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.26 112.92 3.55 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.879 3.053 . . . . 0.0 112.868 -171.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.24 27.46 73.0 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.866 0.706 . . . . 0.0 114.866 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -123.39 162.32 23.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.328 1.851 . . . . 0.0 111.425 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -135.15 148.48 49.75 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 127.066 2.146 . . . . 0.0 108.893 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -140.05 120.73 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.736 1.215 . . . . 0.0 109.109 -169.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -130.76 145.46 51.97 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.593 1.157 . . . . 0.0 110.089 -168.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -125.82 101.96 7.09 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.677 1.591 . . . . 0.0 108.901 -169.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 63.8 p -69.77 155.9 39.83 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.836 0.854 . . . . 0.0 112.24 -174.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.05 -12.78 28.79 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -77.99 -4.51 47.38 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 124.664 1.186 . . . . 0.0 113.715 171.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 86.62 30.98 19.95 Favored Glycine 0 CA--C 1.533 1.188 0 C-N-CA 124.316 0.96 . . . . 0.0 113.684 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -131.8 134.12 45.45 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.532 1.133 . . . . 0.0 111.76 -174.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -91.5 144.5 25.49 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.722 1.209 . . . . 0.0 111.403 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -137.66 160.45 39.17 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.349 1.46 . . . . 0.0 110.752 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -110.8 151.83 27.35 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.581 1.553 . . . . 0.0 110.592 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 96.2 t -135.19 123.61 39.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.954 1.702 . . . . 0.0 109.373 -172.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.16 103.89 14.96 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.015 1.326 . . . . 0.0 110.616 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 39.7 m170 -65.3 -19.04 65.78 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -75.42 -31.96 60.54 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.311 1.044 . . . . 0.0 113.54 -174.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 53.2 p -130.49 6.37 4.81 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.446 1.498 . . . . 0.0 113.481 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 13.3 ttm-85 64.98 4.36 2.46 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 128.006 2.523 . . . . 0.0 114.974 -175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -74.62 168.17 20.31 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.377 1.471 . . . . 0.0 113.023 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 41.4 p -147.13 160.45 42.41 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.664 1.586 . . . . 0.0 111.488 -176.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.2 t -159.77 158.83 31.89 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.255 1.022 . . . . 0.0 112.057 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -82.6 -19.74 37.83 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.955 1.302 . . . . 0.0 113.499 175.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -129.84 -171.19 2.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.057 1.343 . . . . 0.0 112.638 -169.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -115.34 76.54 5.12 Favored Pre-proline 0 CA--C 1.55 0.955 0 C-N-CA 124.603 1.161 . . . . 0.0 111.092 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.97 -173.49 1.42 Allowed 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 124.196 3.264 . . . . 0.0 112.024 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 9.8 ptp85 -47.98 146.22 4.32 Favored Pre-proline 0 N--CA 1.479 0.988 0 C-N-CA 124.634 1.173 . . . . 0.0 112.7 169.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -68.15 164.72 31.04 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 123.053 2.502 . . . . 0.0 112.675 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -66.35 169.08 33.31 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.028 0.823 . . . . 0.0 113.993 174.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -145.16 153.2 52.59 Favored Pre-proline 0 CA--C 1.551 0.989 0 C-N-CA 125.209 1.403 . . . . 0.0 111.631 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 C--O 1.252 1.22 0 C-N-CA 124.082 3.188 . . . . 0.0 113.275 179.015 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 N--CA 1.487 1.395 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 11.9 p -80.15 153.64 28.52 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.166 1.386 . . . . 0.0 112.723 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 133.32 149.25 6.07 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.537 1.541 . . . . 0.0 113.643 174.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -83.31 62.78 6.89 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.176 1.391 . . . . 0.0 112.496 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -177.33 0.37 Allowed 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.964 1.305 . . . . 0.0 112.527 172.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -48.92 123.03 11.8 Favored Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 123.931 0.893 . . . . 0.0 112.482 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.4 124.46 9.42 Favored 'Trans proline' 0 CA--C 1.545 1.053 0 C-N-CA 122.599 2.199 . . . . 0.0 111.349 -176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -71.64 125.07 10.8 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.722 2.281 . . . . 0.0 110.979 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 50.7 m -149.2 94.17 2.19 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.077 1.351 . . . . 0.0 110.045 -177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 47.7 t80 -89.75 -91.49 0.13 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.814 0.846 . . . . 0.0 110.307 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.46 -29.61 66.32 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 121.02 -1.05 . . . . 0.0 113.101 171.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 28.4 t70 -66.62 -18.71 65.51 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 176.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.8 t -97.47 -43.37 7.29 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.444 1.097 . . . . 0.0 112.243 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 11.4 pt -82.07 25.99 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -174.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 20.9 pttp . . . . . 0 C--O 1.255 1.374 0 C-N-CA 126.159 1.784 . . . . 0.0 113.464 -178.857 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 7.0 m -53.87 -26.81 26.57 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 -159.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.62 15.06 7.05 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.733 1.213 . . . . 0.0 113.718 174.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.72 -18.86 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.063 1.745 . . . . 0.0 111.023 -175.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -124.65 51.1 1.65 Allowed 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.371 1.868 . . . . 0.0 110.216 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.49 -177.5 0.31 Allowed 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 126.095 1.758 . . . . 0.0 112.811 173.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -54.98 164.95 3.36 Favored Glycine 0 CA--C 1.548 2.118 0 C-N-CA 124.798 1.189 . . . . 0.0 115.391 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.48 149.85 87.42 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 123.82 3.013 . . . . 0.0 113.236 -171.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.36 152.08 96.52 Favored Pre-proline 0 CA--C 1.556 1.188 0 C-N-CA 123.638 0.775 . . . . 0.0 113.027 -174.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -67.33 154.95 72.47 Favored 'Trans proline' 0 CA--C 1.549 1.245 0 C-N-CA 123.538 2.826 . . . . 0.0 113.559 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.94 114.46 3.9 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.929 3.086 . . . . 0.0 113.138 -168.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.27 29.84 76.27 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 123.78 0.705 . . . . 0.0 114.665 177.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 50.5 m95 -121.79 162.66 20.48 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.301 1.84 . . . . 0.0 111.708 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -131.42 150.04 52.3 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.891 1.676 . . . . 0.0 109.441 169.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -141.32 122.6 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.418 1.487 . . . . 0.0 108.061 -170.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -129.95 158.66 38.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.524 1.129 . . . . 0.0 110.959 -172.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -131.96 104.19 6.71 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.783 1.633 . . . . 0.0 108.58 -170.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 61.6 p -71.99 158.28 36.27 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.471 0.653 . . . . 0.0 111.968 -175.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.97 -16.73 60.61 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -68.78 -13.23 62.27 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 168.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 95.69 19.67 28.82 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.192 1.377 . . . . 0.0 113.873 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -117.44 129.92 56.14 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 118.62 1.21 . . . . 0.0 111.557 -168.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 22.4 ttp85 -84.19 141.0 31.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.063 0.945 . . . . 0.0 111.229 175.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -138.92 160.18 40.37 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.707 1.603 . . . . 0.0 110.496 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -118.24 149.89 40.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.496 1.519 . . . . 0.0 110.192 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.52 124.98 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 125.866 1.666 . . . . 0.0 109.831 -174.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -99.18 106.87 19.09 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.21 1.404 . . . . 0.0 110.418 176.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -68.63 -20.59 64.48 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -69.85 -30.81 68.39 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.615 1.166 . . . . 0.0 113.164 -175.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 58.3 p -134.7 5.8 3.42 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.722 1.609 . . . . 0.0 113.673 -177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 63.9 7.02 3.04 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.572 2.349 . . . . 0.0 115.461 -174.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -68.88 164.84 21.16 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.409 1.484 . . . . 0.0 113.373 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 12.3 p -146.24 157.03 43.79 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.975 1.71 . . . . 0.0 111.835 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 1.8 t -157.87 146.39 19.13 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.275 1.03 . . . . 0.0 111.399 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -74.22 -37.73 63.75 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.167 0.987 . . . . 0.0 112.494 173.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -105.88 -174.71 2.6 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.671 1.588 . . . . 0.0 111.239 -178.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -115.6 76.97 5.83 Favored Pre-proline 0 CA--C 1.552 1.026 0 C-N-CA 124.94 1.296 . . . . 0.0 111.04 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -74.71 -164.04 0.21 Allowed 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 125.004 3.803 . . . . 0.0 112.373 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -115.68 64.34 2.22 Favored Pre-proline 0 N--CA 1.478 0.959 0 C-N-CA 125.986 1.714 . . . . 0.0 112.554 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -68.56 -13.7 37.95 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.14 2.56 . . . . 0.0 113.793 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -76.82 -14.36 82.65 Favored Glycine 0 CA--C 1.541 1.683 0 C-N-CA 124.628 1.109 . . . . 0.0 114.49 171.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -68.68 154.25 94.87 Favored Pre-proline 0 CA--C 1.554 1.129 0 CA-C-N 118.754 1.277 . . . . 0.0 112.073 172.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 C--O 1.252 1.219 0 C-N-CA 123.794 2.996 . . . . 0.0 113.236 177.851 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 3.6 t-20 . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 19.6 p -71.46 86.42 0.86 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.305 1.442 . . . . 0.0 112.892 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -174.77 42.38 0.13 Allowed Glycine 0 CA--C 1.533 1.2 0 O-C-N 121.68 -0.638 . . . . 0.0 114.519 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -136.49 135.18 38.36 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.763 1.282 . . . . 0.0 112.367 -176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 16.7 tptp -142.89 -12.59 0.75 Allowed 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.45 1.5 . . . . 0.0 114.353 -178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -140.49 135.35 15.82 Favored Pre-proline 0 CA--C 1.543 0.705 0 C-N-CA 126.285 1.834 . . . . 0.0 109.133 178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -73.54 128.61 12.84 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.354 2.036 . . . . 0.0 110.991 178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.99 120.29 6.94 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.534 2.156 . . . . 0.0 110.508 172.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 69.0 m -147.89 89.13 1.72 Allowed 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.937 1.295 . . . . 0.0 109.825 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 81.0 t80 -88.93 -86.31 0.18 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.85 0.86 . . . . 0.0 109.288 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -61.42 -34.58 75.63 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.35 1.46 . . . . 0.0 112.293 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 26.8 t70 -69.03 -16.59 63.74 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.704 1.202 . . . . 0.0 114.127 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.1 t -97.91 -41.4 8.03 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.085 0.954 . . . . 0.0 111.99 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.9 pt -79.52 27.01 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 N-CA-C 114.576 1.325 . . . . 0.0 114.576 -177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.259 1.555 0 C-N-CA 126.502 1.921 . . . . 0.0 113.754 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 53.1 t . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 118.686 -0.674 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 8.5 m -50.52 -24.53 3.24 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 118.913 2.931 . . . . 0.0 118.913 -159.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -135.16 17.28 3.45 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.198 1.399 . . . . 0.0 113.788 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.3 mp -127.67 -9.71 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 126.175 1.79 . . . . 0.0 111.416 -175.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -132.5 35.49 3.63 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 126.424 1.889 . . . . 0.0 111.136 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -58.47 149.06 26.15 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.054 1.342 . . . . 0.0 113.49 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 79.85 -178.7 53.65 Favored Glycine 0 CA--C 1.545 1.925 0 C-N-CA 124.551 1.072 . . . . 0.0 114.385 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -70.52 152.39 65.34 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.55 2.834 . . . . 0.0 112.079 176.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.38 154.3 91.88 Favored Pre-proline 0 CA--C 1.555 1.144 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -67.92 154.85 71.81 Favored 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.594 2.863 . . . . 0.0 113.518 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -72.13 112.51 3.44 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.92 3.08 . . . . 0.0 113.043 -169.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.41 73.11 Favored Glycine 0 CA--C 1.538 1.523 0 N-CA-C 114.874 0.71 . . . . 0.0 114.874 176.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -124.71 160.76 27.85 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.28 1.832 . . . . 0.0 111.418 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -126.94 151.83 47.97 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.102 1.761 . . . . 0.0 109.293 168.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -141.26 122.62 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 C-N-CA 125.364 1.466 . . . . 0.0 108.073 -170.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.63 161.18 33.31 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.614 0.766 . . . . 0.0 111.433 -172.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -129.75 102.94 6.55 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.434 1.494 . . . . 0.0 108.647 -172.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 42.4 p -69.22 145.27 53.33 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.619 -0.675 . . . . 0.0 111.033 -178.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -58.17 -20.83 44.04 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -71.33 -10.08 59.18 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.293 1.437 . . . . 0.0 114.647 173.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 105.03 34.86 3.33 Favored Glycine 0 CA--C 1.537 1.421 0 N-CA-C 115.576 0.99 . . . . 0.0 115.576 170.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -137.86 153.44 49.58 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.925 1.363 . . . . 0.0 112.446 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 22.4 ttp180 -103.86 142.55 34.19 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.385 1.474 . . . . 0.0 110.973 176.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -138.85 159.52 41.92 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.127 1.771 . . . . 0.0 111.019 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -121.32 147.71 45.32 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.85 1.26 . . . . 0.0 110.551 -178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 85.7 t -135.22 124.2 41.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 126.364 1.866 . . . . 0.0 109.763 -167.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -105.17 105.8 16.0 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.33 1.452 . . . . 0.0 110.6 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -69.54 -17.63 63.59 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -72.11 -31.21 65.83 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.172 0.989 . . . . 0.0 113.012 -175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 59.8 p -135.96 7.58 3.2 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 125.71 1.604 . . . . 0.0 113.542 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 65.33 10.02 6.16 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 127.986 2.514 . . . . 0.0 114.968 -176.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -75.24 166.45 23.6 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.106 1.362 . . . . 0.0 113.027 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 24.3 p -145.6 156.78 43.89 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.744 1.618 . . . . 0.0 111.297 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.4 t -157.15 161.83 39.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.69 0.796 . . . . 0.0 112.528 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -84.75 -13.41 51.34 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.305 1.842 . . . . 0.0 113.279 -175.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -151.74 -165.14 2.15 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.049 1.739 . . . . 0.0 111.537 -172.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -118.99 76.91 15.1 Favored Pre-proline 0 CA--C 1.55 0.948 0 C-N-CA 124.644 1.178 . . . . 0.0 111.146 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -74.43 178.06 7.54 Favored 'Trans proline' 0 CA--C 1.544 1.013 0 C-N-CA 124.03 3.154 . . . . 0.0 112.733 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -53.8 151.64 11.36 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 124.282 1.033 . . . . 0.0 112.575 170.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -71.75 -16.15 29.9 Favored 'Trans proline' 0 CA--C 1.542 0.876 0 C-N-CA 123.456 2.771 . . . . 0.0 114.822 -174.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 92.76 87.73 1.55 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.317 0.961 . . . . 0.0 112.161 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -131.17 59.93 49.42 Favored Pre-proline 0 CA--C 1.556 1.179 0 C-N-CA 125.073 1.349 . . . . 0.0 112.573 -176.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--O 1.254 1.323 0 C-N-CA 124.067 3.178 . . . . 0.0 113.325 178.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.5 m120 . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.725 0.298 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 28.2 p -135.26 163.97 28.78 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.101 1.76 . . . . 0.0 110.714 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -119.73 167.7 13.5 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.465 1.031 . . . . 0.0 114.077 -175.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -76.0 60.07 1.36 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.04 1.736 . . . . 0.0 113.382 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.21 -178.72 0.37 Allowed 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.823 1.649 . . . . 0.0 112.097 170.038 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -50.1 133.54 23.06 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 124.014 0.926 . . . . 0.0 112.202 178.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -69.41 131.53 21.93 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 122.446 2.097 . . . . 0.0 111.208 -177.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.67 124.39 10.67 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 122.723 2.282 . . . . 0.0 110.779 174.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 74.2 m -147.82 83.23 1.52 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.188 1.395 . . . . 0.0 109.918 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 72.3 t80 -81.97 -87.86 0.09 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.431 0.692 . . . . 0.0 110.303 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -60.23 -37.64 80.96 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.01 -1.056 . . . . 0.0 112.355 175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.81 -10.46 37.92 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 43.8 t -98.33 -42.55 7.32 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.255 1.022 . . . . 0.0 112.246 168.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 12.0 pt -83.9 -8.5 11.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 115.324 1.601 . . . . 0.0 115.324 -173.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 8.1 ptpt . . . . . 0 C--O 1.254 1.299 0 C-N-CA 125.121 1.369 . . . . 0.0 113.887 172.417 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 44.1 t . . . . . 0 N--CA 1.497 1.903 0 CA-C-O 118.798 -0.62 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 7.1 m -52.33 -21.12 3.22 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.965 2.95 . . . . 0.0 118.965 -159.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -134.96 16.92 3.5 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.249 1.419 . . . . 0.0 113.598 175.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 4.1 mp -125.28 -18.43 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.024 1.729 . . . . 0.0 111.349 -175.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -122.0 25.61 9.01 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.697 1.599 . . . . 0.0 112.226 -177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.79 137.89 49.04 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.483 1.513 . . . . 0.0 113.27 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 166.47 -175.18 41.92 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.117 1.342 . . . . 0.0 113.203 -176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.46 156.64 65.28 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.569 2.846 . . . . 0.0 112.279 175.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.46 152.32 94.87 Favored Pre-proline 0 CA--C 1.555 1.158 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -177.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.89 152.23 80.81 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.507 2.805 . . . . 0.0 113.568 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.29 112.36 3.31 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.874 3.049 . . . . 0.0 113.037 -168.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 71.08 23.73 77.79 Favored Glycine 0 CA--C 1.538 1.518 0 N-CA-C 114.975 0.75 . . . . 0.0 114.975 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -120.21 162.81 18.75 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.959 1.704 . . . . 0.0 111.686 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -131.28 152.87 50.13 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.326 1.851 . . . . 0.0 109.363 170.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.7 mp -141.11 131.98 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.52 1.528 . . . . 0.0 108.7 -170.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -132.69 151.62 51.92 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.842 1.257 . . . . 0.0 110.761 -171.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -125.26 98.94 5.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.856 1.663 . . . . 0.0 108.98 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 53.8 p -75.79 157.01 33.98 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.319 0.647 . . . . 0.0 112.529 -172.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.29 -15.99 58.95 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -72.4 -9.24 58.27 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 170.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.38 29.12 22.97 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.525 1.06 . . . . 0.0 113.08 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -124.94 122.52 37.59 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.671 1.188 . . . . 0.0 111.114 -172.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 7.5 ttp-105 -82.6 143.19 31.18 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.666 1.186 . . . . 0.0 111.237 176.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -140.51 162.61 34.95 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.219 1.408 . . . . 0.0 111.037 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -119.31 154.04 34.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.797 1.639 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 91.0 t -140.18 126.88 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 126.374 1.869 . . . . 0.0 109.518 -170.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -108.83 105.96 15.76 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.113 1.365 . . . . 0.0 110.652 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -69.16 -15.6 63.45 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -73.73 -30.45 62.83 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.202 -0.936 . . . . 0.0 113.029 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 50.1 p -136.22 3.08 2.84 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 125.328 1.451 . . . . 0.0 113.898 -176.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 66.36 5.99 4.04 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 127.676 2.39 . . . . 0.0 115.156 -174.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 46.4 mmm-85 -65.93 161.91 20.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.766 1.626 . . . . 0.0 112.618 177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 82.3 p -146.48 163.87 34.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.511 1.524 . . . . 0.0 111.205 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 8.6 t -161.67 161.54 29.54 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.884 0.874 . . . . 0.0 112.782 176.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -90.32 -9.29 48.32 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.496 1.918 . . . . 0.0 113.105 174.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -134.82 -170.46 2.57 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.77 1.228 . . . . 0.0 112.89 -174.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -117.8 73.07 8.66 Favored Pre-proline 0 CA--C 1.55 0.977 0 C-N-CA 124.9 1.28 . . . . 0.0 111.593 -175.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -74.44 177.93 7.72 Favored 'Trans proline' 0 CA--C 1.543 0.968 0 C-N-CA 124.047 3.165 . . . . 0.0 112.462 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -56.0 151.23 25.92 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 124.379 1.072 . . . . 0.0 112.169 171.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.75 -12.04 24.17 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.432 2.754 . . . . 0.0 114.69 -176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -106.97 161.07 13.94 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.976 1.274 . . . . 0.0 113.307 177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -65.81 151.44 94.95 Favored Pre-proline 0 CA--C 1.554 1.113 0 C-N-CA 124.291 1.036 . . . . 0.0 113.02 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 C--O 1.253 1.235 0 C-N-CA 124.039 3.159 . . . . 0.0 113.252 176.17 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 40.8 p -141.9 162.9 34.33 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.491 1.516 . . . . 0.0 112.22 -176.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 173.64 -72.3 0.09 OUTLIER Glycine 0 CA--C 1.532 1.1 0 C-N-CA 124.621 1.105 . . . . 0.0 112.083 173.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . 45.34 39.14 4.09 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.36 2.264 . . . . 0.0 115.014 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -90.08 12.71 16.95 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.759 1.224 . . . . 0.0 113.847 -172.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -135.05 98.41 12.94 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.009 1.724 . . . . 0.0 109.742 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.62 123.21 10.23 Favored 'Trans proline' 0 CA--C 1.547 1.136 0 C-N-CA 122.582 2.188 . . . . 0.0 111.404 -176.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.72 122.24 8.04 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 122.865 2.377 . . . . 0.0 111.386 177.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.6 m -148.07 87.6 1.62 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.254 1.422 . . . . 0.0 110.214 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 63.6 t80 -88.78 -87.86 0.16 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.614 0.765 . . . . 0.0 110.476 178.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.21 -30.71 71.28 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 120.911 -1.118 . . . . 0.0 112.73 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -69.62 -7.69 41.04 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 176.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.7 t -105.65 -41.53 5.43 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.957 1.303 . . . . 0.0 112.337 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 30.6 pt -79.76 6.08 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.146 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 61.1 mttm . . . . . 0 C--O 1.254 1.304 0 C-N-CA 126.507 1.923 . . . . 0.0 111.277 173.263 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.496 1.836 0 CA-C-O 118.537 -0.744 . . . . 0.0 112.654 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 12.3 m -49.3 -30.73 7.83 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 118.585 2.809 . . . . 0.0 118.585 -158.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.4 16.18 6.03 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.043 1.337 . . . . 0.0 113.692 175.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.03 -7.4 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 125.997 1.719 . . . . 0.0 111.387 -173.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -128.92 29.65 5.18 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.712 1.605 . . . . 0.0 112.16 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -103.86 -177.32 3.33 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 125.704 1.601 . . . . 0.0 112.924 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -69.2 -176.24 13.42 Favored Glycine 0 CA--C 1.546 2.008 0 C-N-CA 125.489 1.518 . . . . 0.0 115.148 174.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -67.72 152.22 78.03 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.959 3.106 . . . . 0.0 113.083 -175.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.77 155.39 87.0 Favored Pre-proline 0 CA--C 1.556 1.195 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -177.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.68 156.83 64.19 Favored 'Trans proline' 0 CA--C 1.55 1.3 0 C-N-CA 123.785 2.99 . . . . 0.0 113.629 177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -72.13 113.76 3.78 Favored 'Trans proline' 0 CA--C 1.539 0.75 0 C-N-CA 124.016 3.144 . . . . 0.0 113.064 -170.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.01 26.75 71.57 Favored Glycine 0 CA--C 1.539 1.533 0 N-CA-C 114.852 0.701 . . . . 0.0 114.852 176.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 52.2 m95 -120.94 161.08 22.19 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.424 1.89 . . . . 0.0 111.029 -179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -130.51 151.2 51.24 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.165 1.786 . . . . 0.0 109.285 172.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -141.44 123.52 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 125.268 1.427 . . . . 0.0 108.509 -169.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -130.48 156.61 44.49 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.583 1.153 . . . . 0.0 110.993 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -128.44 93.07 3.55 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.308 1.443 . . . . 0.0 108.972 -169.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 25.9 p -66.18 145.25 56.01 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.075 0.95 . . . . 0.0 111.577 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -60.96 -14.72 24.54 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -176.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -63.07 -10.94 16.33 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.358 1.463 . . . . 0.0 114.65 167.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 90.39 38.33 6.31 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.57 1.081 . . . . 0.0 113.218 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -136.42 158.03 45.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.359 1.463 . . . . 0.0 111.26 -174.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 20.8 ttp85 -112.9 139.86 48.19 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.201 1.401 . . . . 0.0 110.358 175.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -135.8 157.25 47.31 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.631 1.572 . . . . 0.0 110.405 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -116.95 149.8 39.58 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 125.258 1.423 . . . . 0.0 110.3 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 82.4 t -136.41 126.23 39.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 126.654 1.982 . . . . 0.0 108.783 -168.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -109.08 116.58 32.23 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.715 1.206 . . . . 0.0 109.965 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 25.2 m170 -78.05 -16.71 57.82 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -72.61 -33.88 66.98 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.829 1.252 . . . . 0.0 113.09 -173.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 52.9 p -132.62 10.09 4.33 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.723 1.609 . . . . 0.0 113.224 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 67.58 7.8 5.89 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.524 2.33 . . . . 0.0 114.768 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -67.05 163.95 18.89 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.49 1.516 . . . . 0.0 113.768 -179.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 16.7 p -145.76 156.47 43.62 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.092 1.757 . . . . 0.0 111.509 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.7 t -158.52 156.29 29.97 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.141 0.977 . . . . 0.0 112.246 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -86.88 -17.25 33.74 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.319 1.447 . . . . 0.0 113.428 176.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -120.03 -168.8 1.67 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.997 1.319 . . . . 0.0 111.674 -176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -117.64 74.16 8.83 Favored Pre-proline 0 CA--C 1.548 0.893 0 C-N-CA 124.292 1.037 . . . . 0.0 110.789 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -75.15 -171.31 0.96 Allowed 'Trans proline' 0 CA--C 1.544 1.021 0 C-N-CA 124.36 3.373 . . . . 0.0 112.117 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -46.4 145.26 2.87 Favored Pre-proline 0 N--CA 1.478 0.975 0 C-N-CA 125.197 1.399 . . . . 0.0 113.078 172.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.27 -23.88 20.38 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.727 2.285 . . . . 0.0 113.186 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 142.84 -115.34 0.92 Allowed Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.365 1.46 . . . . 0.0 111.668 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -146.82 65.12 9.7 Favored Pre-proline 0 CA--C 1.557 1.213 0 C-N-CA 126.229 1.812 . . . . 0.0 111.376 177.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 C--O 1.253 1.235 0 C-N-CA 124.159 3.239 . . . . 0.0 113.533 -178.014 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 120.893 0.377 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 26.2 p -137.69 15.31 2.92 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 124.961 1.305 . . . . 0.0 113.601 -174.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 73.43 31.18 61.32 Favored Glycine 0 CA--C 1.536 1.392 0 O-C-N 121.045 -1.034 . . . . 0.0 114.269 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -135.51 143.22 45.66 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.241 1.416 . . . . 0.0 111.711 -177.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 4.5 tptt -153.55 178.54 9.72 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.941 2.096 . . . . 0.0 109.941 176.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -60.72 119.6 45.58 Favored Pre-proline 0 CA--C 1.547 0.832 0 CA-C-O 118.612 -0.709 . . . . 0.0 110.417 168.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -73.07 129.9 14.74 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 122.144 1.896 . . . . 0.0 110.463 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.05 131.36 23.6 Favored 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 122.219 1.946 . . . . 0.0 110.156 172.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 35.1 m -159.25 74.09 0.62 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.127 1.371 . . . . 0.0 109.919 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.9 t80 -74.71 -83.0 0.06 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.261 0.624 . . . . 0.0 110.775 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -63.66 -37.13 86.18 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.179 -0.951 . . . . 0.0 112.449 177.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.82 -19.14 65.78 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 41.3 t -87.59 -42.32 12.8 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.611 0.764 . . . . 0.0 112.238 170.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.7 pt -83.24 -8.68 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 -173.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 11.0 ptmt . . . . . 0 N--CA 1.482 1.169 0 C-N-CA 124.991 1.316 . . . . 0.0 113.696 -179.793 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 51.6 t . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 9.6 m -49.43 -27.91 4.64 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 118.303 2.705 . . . . 0.0 118.303 -162.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -129.65 17.68 5.79 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.489 1.515 . . . . 0.0 113.49 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.1 mp -127.93 -7.55 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.023 0 C-N-CA 125.967 1.707 . . . . 0.0 111.584 -174.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -143.96 47.97 1.41 Allowed 'General case' 0 CA--C 1.547 0.856 0 O-C-N 120.381 -1.449 . . . . 0.0 113.21 179.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.27 146.99 26.7 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.6 1.16 . . . . 0.0 113.119 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 113.4 176.65 19.4 Favored Glycine 0 CA--C 1.544 1.855 0 C-N-CA 125.179 1.371 . . . . 0.0 114.727 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -73.21 162.35 40.79 Favored 'Trans proline' 0 CA--C 1.543 0.927 0 C-N-CA 124.203 3.268 . . . . 0.0 112.662 177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.98 155.79 58.07 Favored Pre-proline 0 CA--C 1.556 1.192 0 C-N-CA 123.842 0.857 . . . . 0.0 112.901 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.26 157.2 62.26 Favored 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 123.859 3.039 . . . . 0.0 113.839 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.45 114.89 4.13 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.997 3.132 . . . . 0.0 113.128 -170.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 64.52 26.19 70.66 Favored Glycine 0 CA--C 1.539 1.551 0 N-CA-C 114.912 0.725 . . . . 0.0 114.912 176.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 55.5 m95 -120.14 159.91 23.92 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.254 1.822 . . . . 0.0 111.018 -179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -129.18 150.05 50.73 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.271 1.828 . . . . 0.0 108.85 170.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -144.03 126.21 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 124.868 1.267 . . . . 0.0 108.69 -169.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 38.4 mtm105 -133.66 161.58 34.29 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.798 0.839 . . . . 0.0 112.484 -172.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -131.06 98.32 4.55 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.046 1.738 . . . . 0.0 109.054 -167.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 68.2 p -74.57 152.54 39.28 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.583 -0.698 . . . . 0.0 111.603 -177.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.14 -17.33 25.96 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.45 -12.16 55.78 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 170.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.64 38.69 6.49 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 124.254 0.93 . . . . 0.0 113.306 -178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -133.75 146.83 51.11 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.323 1.449 . . . . 0.0 111.027 -174.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.09 140.37 41.38 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.853 1.261 . . . . 0.0 110.851 178.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.06 152.37 49.98 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 125.392 1.477 . . . . 0.0 110.756 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -114.16 148.2 37.64 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.61 1.164 . . . . 0.0 110.5 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 61.8 t -136.86 124.88 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 C-N-CA 126.601 1.96 . . . . 0.0 109.297 -170.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -106.45 119.41 39.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.941 1.296 . . . . 0.0 110.291 178.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -79.16 -15.66 57.77 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -73.59 -32.13 63.95 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.559 1.144 . . . . 0.0 112.99 -175.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 54.6 p -133.85 9.62 3.89 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.483 1.513 . . . . 0.0 113.578 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.7 ttp180 64.86 11.14 6.7 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 127.242 2.217 . . . . 0.0 114.463 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -72.4 166.13 23.18 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.139 1.776 . . . . 0.0 113.814 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 41.2 p -145.93 163.01 36.47 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.661 1.585 . . . . 0.0 111.592 178.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.2 t -161.69 160.96 29.23 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.181 0.993 . . . . 0.0 112.345 177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -82.92 -14.33 54.36 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.274 1.83 . . . . 0.0 113.542 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -148.92 -165.89 2.41 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.936 1.694 . . . . 0.0 111.395 -172.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -117.79 75.97 10.46 Favored Pre-proline 0 CA--C 1.549 0.91 0 O-C-N 120.957 -1.089 . . . . 0.0 111.135 178.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -73.61 -179.9 4.95 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.022 3.148 . . . . 0.0 112.538 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -52.15 147.45 13.19 Favored Pre-proline 0 N--CA 1.479 1.015 0 C-N-CA 124.706 1.203 . . . . 0.0 112.294 172.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.54 106.19 1.03 Allowed 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.635 2.89 . . . . 0.0 111.702 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 136.91 39.13 0.14 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.746 1.165 . . . . 0.0 114.187 -177.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -56.1 145.71 54.0 Favored Pre-proline 0 CA--C 1.557 1.224 0 CA-C-N 118.427 1.113 . . . . 0.0 112.471 179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo . . . . . 0 C--O 1.253 1.249 0 C-N-CA 124.208 3.272 . . . . 0.0 114.023 -167.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.486 1.347 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 7.0 p -70.56 164.39 24.94 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 125.314 1.445 . . . . 0.0 114.256 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 91.86 166.82 39.99 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.426 1.489 . . . . 0.0 112.883 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -63.87 142.2 58.49 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 121.881 -0.776 . . . . 0.0 111.05 171.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 17.8 tptt -144.28 -170.42 3.36 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.137 1.775 . . . . 0.0 110.109 -176.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -50.6 113.53 3.74 Favored Pre-proline 0 CA--C 1.548 0.87 0 C-N-CA 123.923 0.889 . . . . 0.0 111.508 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -74.07 122.95 8.0 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 122.385 2.057 . . . . 0.0 110.908 -174.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.99 119.07 6.05 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.275 1.983 . . . . 0.0 110.675 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 71.0 m -146.13 87.19 1.73 Allowed 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.548 1.539 . . . . 0.0 109.602 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -83.24 -86.47 0.11 Allowed 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.531 0.733 . . . . 0.0 109.724 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -60.19 -37.24 79.64 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.295 -0.878 . . . . 0.0 112.411 174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 3.9 t70 -61.85 -20.12 63.33 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.5 t -91.59 -44.55 8.99 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.069 0.948 . . . . 0.0 112.133 171.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.2 pt -82.17 -11.57 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -171.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 10.0 ptmt . . . . . 0 C--O 1.252 1.228 0 CA-C-N 119.879 1.218 . . . . 0.0 114.175 -177.696 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.496 1.834 0 CA-C-O 118.725 -0.655 . . . . 0.0 112.399 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 9.6 m -48.25 -30.76 5.06 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 118.807 2.892 . . . . 0.0 118.807 -159.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.93 14.04 6.84 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.798 1.239 . . . . 0.0 113.818 176.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.6 mp -121.46 -15.7 6.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.04 1.736 . . . . 0.0 111.35 -174.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -131.76 45.13 2.83 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.189 1.796 . . . . 0.0 110.578 -177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.1 149.57 36.76 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.478 1.111 . . . . 0.0 113.096 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 92.56 177.98 41.23 Favored Glycine 0 CA--C 1.544 1.904 0 C-N-CA 124.831 1.205 . . . . 0.0 114.395 -179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.45 158.45 51.21 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.882 3.055 . . . . 0.0 112.569 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.14 155.83 63.63 Favored Pre-proline 0 CA--C 1.556 1.202 0 C-N-CA 123.702 0.801 . . . . 0.0 112.774 -179.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.14 156.48 64.85 Favored 'Trans proline' 0 CA--C 1.548 1.183 0 C-N-CA 124.238 3.292 . . . . 0.0 113.734 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -72.27 113.76 3.79 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.931 3.087 . . . . 0.0 112.862 -172.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.07 27.24 72.05 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 114.979 0.752 . . . . 0.0 114.979 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -123.89 162.89 22.4 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.651 1.98 . . . . 0.0 111.049 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -131.22 154.69 48.17 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.273 1.829 . . . . 0.0 109.876 171.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.7 mp -133.17 127.94 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 125.918 1.687 . . . . 0.0 108.433 -177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -131.71 155.6 47.39 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.522 1.129 . . . . 0.0 110.507 -178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -130.84 109.59 10.68 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.405 1.482 . . . . 0.0 108.012 -174.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 43.5 p -69.49 154.84 41.4 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 121.296 0.57 . . . . 0.0 111.528 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.76 -13.48 33.47 Favored 'General case' 0 CA--C 1.55 0.977 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 175.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -79.96 -8.93 59.6 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 125.004 1.322 . . . . 0.0 113.597 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 99.43 24.55 10.08 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.524 1.059 . . . . 0.0 115.029 172.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -127.17 136.91 52.72 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.189 1.495 . . . . 0.0 112.515 -176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.24 141.7 28.45 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.671 1.189 . . . . 0.0 111.192 177.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -139.04 159.53 41.92 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.389 1.475 . . . . 0.0 110.744 172.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -108.4 152.26 24.91 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.997 1.319 . . . . 0.0 110.812 174.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 95.9 t -134.69 126.01 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 126.207 1.803 . . . . 0.0 109.164 -173.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -108.04 116.59 32.24 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.786 1.235 . . . . 0.0 109.883 176.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -79.87 -14.96 58.26 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -74.4 -32.92 62.87 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.243 1.417 . . . . 0.0 112.692 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 71.1 p -132.33 8.28 4.3 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 125.998 1.719 . . . . 0.0 113.233 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 8.3 ttm180 68.99 4.07 4.34 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 127.863 2.465 . . . . 0.0 114.906 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -71.78 165.79 23.34 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.286 1.435 . . . . 0.0 113.199 -176.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 20.8 p -145.84 157.41 43.92 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.8 1.64 . . . . 0.0 111.384 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 9.7 t -158.13 155.75 29.69 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.744 0.818 . . . . 0.0 112.398 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -89.36 -21.08 23.27 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.458 1.503 . . . . 0.0 113.314 178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -113.7 -171.21 1.85 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.547 1.539 . . . . 0.0 111.266 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -116.98 75.53 7.59 Favored Pre-proline 0 CA--C 1.548 0.866 0 C-N-CA 124.244 1.018 . . . . 0.0 111.092 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.09 177.78 7.36 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 124.09 3.193 . . . . 0.0 112.556 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -54.16 152.03 11.88 Favored Pre-proline 0 N--CA 1.478 0.958 0 C-N-CA 124.114 0.966 . . . . 0.0 112.577 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -69.74 -9.0 25.03 Favored 'Trans proline' 0 CA--C 1.544 1.009 0 C-N-CA 123.857 3.038 . . . . 0.0 114.516 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -148.53 114.77 0.7 Allowed Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.333 1.444 . . . . 0.0 111.044 172.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.54 -45.54 83.29 Favored Pre-proline 0 CA--C 1.556 1.202 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 177.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo . . . . . 0 C--O 1.253 1.257 0 C-N-CA 122.824 2.349 . . . . 0.0 112.995 176.015 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 9.4 m120 . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 28.4 p -140.85 155.74 46.28 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.84 1.256 . . . . 0.0 112.41 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 130.47 98.95 0.83 Allowed Glycine 0 CA--C 1.529 0.957 0 C-N-CA 125.004 1.287 . . . . 0.0 111.551 178.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -56.05 136.21 52.36 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 117.632 0.716 . . . . 0.0 111.653 175.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 15.7 tptt -134.22 -172.92 3.12 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.079 1.752 . . . . 0.0 110.644 -177.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -51.67 124.16 25.62 Favored Pre-proline 0 CA--C 1.546 0.806 0 CA-C-O 118.74 -0.648 . . . . 0.0 110.994 176.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.24 131.67 24.04 Favored 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 122.261 1.974 . . . . 0.0 110.92 -173.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.45 123.14 10.18 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 122.509 2.139 . . . . 0.0 110.461 175.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 75.4 m -148.22 90.97 1.86 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.188 1.395 . . . . 0.0 109.472 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 65.6 t80 -87.66 -87.74 0.15 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.662 0.785 . . . . 0.0 109.701 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -55.63 -41.87 74.14 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.336 1.055 . . . . 0.0 111.756 172.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -66.56 -13.74 61.42 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -178.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.6 t -94.14 -44.81 7.82 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.873 0.869 . . . . 0.0 112.008 169.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 16.3 pt -82.92 -18.3 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 -171.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 43.3 mtpt . . . . . 0 C--O 1.252 1.186 0 CA-C-N 119.732 1.151 . . . . 0.0 112.519 169.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 90.1 t . . . . . 0 N--CA 1.496 1.831 0 CA-C-O 118.329 -0.843 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 7.2 m -43.5 -33.24 1.06 Allowed 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 119.051 2.982 . . . . 0.0 119.051 -159.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.79 19.59 2.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.71 1.204 . . . . 0.0 113.671 174.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.6 mp -128.04 -80.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.6 1.16 . . . . 0.0 109.919 -173.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 48.17 31.15 2.43 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 126.399 1.88 . . . . 0.0 114.731 -179.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -83.47 -176.01 6.1 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.29 1.436 . . . . 0.0 112.556 177.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -68.3 -171.04 6.12 Favored Glycine 0 CA--C 1.547 2.058 0 C-N-CA 125.529 1.538 . . . . 0.0 115.113 173.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.99 155.91 65.52 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.755 2.97 . . . . 0.0 113.175 -176.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.83 153.45 91.17 Favored Pre-proline 0 CA--C 1.557 1.226 0 C-N-CA 124.101 0.96 . . . . 0.0 113.204 -174.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.57 153.8 75.33 Favored 'Trans proline' 0 CA--C 1.549 1.229 0 C-N-CA 123.498 2.798 . . . . 0.0 113.75 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.01 112.62 3.34 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.964 3.11 . . . . 0.0 113.058 -168.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.37 25.13 71.14 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 123.882 0.753 . . . . 0.0 114.792 178.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 57.5 m95 -117.93 160.04 22.11 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.207 1.803 . . . . 0.0 111.214 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -127.32 153.01 46.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.392 1.877 . . . . 0.0 109.036 168.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.4 mp -141.93 131.95 24.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.313 1.445 . . . . 0.0 108.499 -174.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -132.88 153.94 50.86 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.821 0.848 . . . . 0.0 111.755 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -119.49 99.96 6.99 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 126.373 1.869 . . . . 0.0 108.566 -175.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 48.4 p -75.63 153.36 37.3 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.302 0.641 . . . . 0.0 111.555 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.14 -13.53 37.95 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -173.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -70.89 -9.0 56.88 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 124.365 1.066 . . . . 0.0 113.84 170.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.05 35.33 9.86 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.234 0.921 . . . . 0.0 112.425 -173.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -131.21 119.43 21.83 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.664 1.186 . . . . 0.0 111.215 -171.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -82.63 136.17 34.86 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.636 1.574 . . . . 0.0 110.674 174.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -135.52 155.4 50.56 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.371 1.469 . . . . 0.0 110.578 176.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -115.02 148.58 38.66 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.267 1.427 . . . . 0.0 110.45 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.7 t -136.29 124.53 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 126.582 1.953 . . . . 0.0 109.153 -170.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -106.77 120.53 42.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.801 1.24 . . . . 0.0 110.211 177.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -83.19 -11.27 58.02 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -75.66 -32.02 60.02 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.57 1.148 . . . . 0.0 112.552 -176.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 55.1 p -135.52 9.61 3.41 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 125.612 1.565 . . . . 0.0 113.636 177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 69.13 3.65 4.18 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 127.553 2.341 . . . . 0.0 114.524 -177.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -68.33 163.72 22.4 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.871 1.668 . . . . 0.0 113.597 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 14.3 p -147.34 157.15 43.47 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.611 1.564 . . . . 0.0 111.87 -176.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 6.5 t -159.4 158.5 32.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.202 1.001 . . . . 0.0 112.26 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -89.76 -11.93 40.8 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.654 1.582 . . . . 0.0 113.28 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -129.18 -169.38 2.08 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.12 1.368 . . . . 0.0 111.799 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -118.56 72.03 10.18 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 124.131 0.972 . . . . 0.0 111.072 -177.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -73.88 174.17 12.78 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.145 3.23 . . . . 0.0 112.491 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -56.83 148.89 46.03 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 124.299 1.039 . . . . 0.0 112.221 172.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.12 169.05 18.98 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 123.613 2.875 . . . . 0.0 112.931 179.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -137.65 -57.47 0.05 OUTLIER Glycine 0 CA--C 1.533 1.181 0 C-N-CA 124.316 0.96 . . . . 0.0 113.848 179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -152.45 61.22 3.83 Favored Pre-proline 0 CA--C 1.557 1.22 0 C-N-CA 124.238 1.015 . . . . 0.0 113.365 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo . . . . . 0 C--O 1.252 1.189 0 C-N-CA 123.491 2.794 . . . . 0.0 112.9 174.307 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 6.7 m120 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 27.9 p -144.61 165.87 26.79 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.814 1.645 . . . . 0.0 111.753 -179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 98.28 47.87 1.95 Allowed Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.054 0.835 . . . . 0.0 113.944 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -40.77 115.63 0.6 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.404 1.882 . . . . 0.0 114.423 -172.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 43.1 tptt -120.85 -6.92 9.57 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.202 1.401 . . . . 0.0 113.709 -173.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -131.62 98.62 17.85 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 125.709 1.604 . . . . 0.0 109.776 -170.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.7 121.61 8.69 Favored 'Trans proline' 0 CA--C 1.546 1.08 0 C-N-CA 122.45 2.1 . . . . 0.0 111.065 -177.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -72.22 119.92 6.46 Favored 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 122.577 2.184 . . . . 0.0 111.135 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 68.1 m -144.21 93.53 2.45 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.16 1.384 . . . . 0.0 109.898 177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 71.9 t80 -90.07 -87.77 0.18 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.955 0.902 . . . . 0.0 109.462 175.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.23 -36.8 76.09 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.114 -0.991 . . . . 0.0 112.292 173.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 11.2 t70 -64.97 -13.51 57.73 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 41.8 t -98.81 -41.59 7.57 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.392 1.077 . . . . 0.0 112.162 170.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 6.7 pt -85.83 -18.74 8.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -172.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 51.2 mtpt . . . . . 0 C--O 1.252 1.223 0 CA-C-N 119.731 1.15 . . . . 0.0 112.639 172.629 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 118.488 -0.768 . . . . 0.0 112.924 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 12.8 m -49.86 -29.74 8.67 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.579 2.807 . . . . 0.0 118.579 -158.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.61 17.64 5.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.901 1.28 . . . . 0.0 113.724 175.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.0 -16.86 5.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.876 1.671 . . . . 0.0 111.408 -174.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -116.17 10.63 14.98 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.377 1.471 . . . . 0.0 113.021 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -74.8 -175.55 2.54 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.744 1.618 . . . . 0.0 113.443 177.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -65.16 179.98 8.25 Favored Glycine 0 CA--C 1.548 2.115 0 C-N-CA 125.617 1.579 . . . . 0.0 115.68 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -68.13 151.35 77.22 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.108 3.205 . . . . 0.0 113.355 -173.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.55 155.83 75.97 Favored Pre-proline 0 CA--C 1.555 1.148 0 C-N-CA 123.954 0.902 . . . . 0.0 113.204 -178.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.12 156.42 65.87 Favored 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.833 3.022 . . . . 0.0 113.653 176.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.41 114.03 3.88 Favored 'Trans proline' 0 CA--C 1.54 0.816 0 C-N-CA 124.047 3.165 . . . . 0.0 113.047 -170.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.73 26.18 73.0 Favored Glycine 0 CA--C 1.539 1.558 0 N-CA-C 114.946 0.739 . . . . 0.0 114.946 175.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -121.12 162.34 20.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.479 1.911 . . . . 0.0 111.284 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -131.5 151.02 51.93 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.219 1.808 . . . . 0.0 109.447 172.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.0 mp -143.0 124.39 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.162 1.385 . . . . 0.0 108.603 -167.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -131.76 160.13 36.43 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.317 1.047 . . . . 0.0 111.323 -172.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -134.55 98.88 4.19 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.518 1.527 . . . . 0.0 109.18 -170.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 60.5 p -73.08 156.25 38.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.363 0.665 . . . . 0.0 112.212 -175.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.45 -19.64 49.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -64.4 -13.11 49.29 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.579 1.326 . . . . 0.0 114.579 169.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.57 38.09 6.74 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.508 1.051 . . . . 0.0 113.216 -178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -134.64 135.46 42.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.872 1.269 . . . . 0.0 111.74 -172.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 21.9 ttp180 -86.96 142.72 27.77 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.54 1.136 . . . . 0.0 111.101 173.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.29 157.24 47.07 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 126.035 1.734 . . . . 0.0 110.683 173.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -120.59 147.78 44.75 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.56 1.144 . . . . 0.0 110.53 -179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 94.1 t -137.81 127.06 34.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 126.126 1.77 . . . . 0.0 109.479 -166.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -111.62 114.08 26.89 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.87 1.268 . . . . 0.0 110.097 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -75.91 -15.86 60.12 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -74.1 -32.33 63.18 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.868 1.267 . . . . 0.0 112.984 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 46.8 p -132.68 7.76 4.13 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 125.598 1.559 . . . . 0.0 113.571 176.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 66.92 6.61 4.76 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 127.639 2.376 . . . . 0.0 114.824 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -69.6 163.09 26.27 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.453 1.101 . . . . 0.0 113.316 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 56.6 p -144.22 159.85 41.97 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.244 1.818 . . . . 0.0 110.605 178.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 9.2 t -158.54 161.86 37.36 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.687 0.795 . . . . 0.0 112.972 -176.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -89.02 -8.36 54.18 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.548 1.939 . . . . 0.0 113.383 -176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -143.6 -167.13 2.5 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.982 1.713 . . . . 0.0 111.736 -172.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -116.88 73.31 6.23 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.681 1.192 . . . . 0.0 111.691 -177.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -75.38 -176.91 3.18 Favored 'Trans proline' 0 CA--C 1.545 1.049 0 C-N-CA 124.291 3.327 . . . . 0.0 112.021 178.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -54.83 149.48 22.66 Favored Pre-proline 0 N--CA 1.477 0.924 0 O-C-N 121.315 -0.866 . . . . 0.0 112.707 171.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -71.92 -21.58 24.34 Favored 'Trans proline' 0 CA--C 1.542 0.894 0 C-N-CA 123.688 2.925 . . . . 0.0 113.927 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 129.19 -44.55 1.21 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 125.74 1.638 . . . . 0.0 113.128 172.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . 0.582 ' H ' ' HD2' ' A' ' 557' ' ' PRO . . . -159.44 -46.99 0.01 OUTLIER Pre-proline 0 CA--C 1.556 1.181 0 N-CA-C 115.186 1.55 . . . . 0.0 115.186 177.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . 0.582 ' HD2' ' H ' ' A' ' 556' ' ' ALA . 58.8 Cg_endo . . . . . 0 C--O 1.253 1.239 0 C-N-CA 122.536 2.157 . . . . 0.0 113.68 -175.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 N--CA 1.488 1.425 0 CA-C-O 120.66 0.267 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 20.3 p -146.78 157.51 43.69 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.99 1.716 . . . . 0.0 110.77 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 64.66 -121.19 21.54 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 123.445 0.545 . . . . 0.0 112.014 -174.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -54.59 155.0 4.36 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.654 1.181 . . . . 0.0 113.606 175.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.43 -168.21 2.84 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.231 1.813 . . . . 0.0 110.93 -174.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -54.69 120.26 26.64 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-N 118.743 0.702 . . . . 0.0 110.669 168.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.58 126.11 10.61 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.473 2.115 . . . . 0.0 111.142 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -71.14 120.88 7.34 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 122.659 2.239 . . . . 0.0 110.62 172.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 32.2 m -150.87 79.41 1.32 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.683 1.193 . . . . 0.0 110.88 -173.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 61.9 t80 -81.89 -91.6 0.07 Allowed 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.751 0.82 . . . . 0.0 110.606 178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -59.08 -26.88 65.02 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.591 1.157 . . . . 0.0 112.6 173.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.66 -19.77 66.04 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.673 1.189 . . . . 0.0 113.909 174.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.1 t -106.75 -42.95 4.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.692 1.197 . . . . 0.0 112.238 178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 5.6 pt -81.88 18.93 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 30.6 mmmt . . . . . 0 C--O 1.254 1.324 0 C-N-CA 126.905 2.082 . . . . 0.0 113.747 177.159 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 N--CA 1.497 1.902 0 CA-C-O 118.429 -0.796 . . . . 0.0 112.705 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 4.8 m -47.81 -29.65 3.36 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 118.989 2.959 . . . . 0.0 118.989 -160.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.57 18.23 4.78 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.825 1.25 . . . . 0.0 113.671 174.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.7 mp -125.01 -19.41 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 126.082 1.753 . . . . 0.0 111.437 -173.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -134.13 71.42 1.45 Allowed 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.478 1.911 . . . . 0.0 109.73 178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -64.91 155.99 32.48 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.389 1.076 . . . . 0.0 112.923 177.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 88.75 176.81 46.79 Favored Glycine 0 CA--C 1.544 1.851 0 C-N-CA 124.734 1.159 . . . . 0.0 114.576 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -72.07 156.81 55.39 Favored 'Trans proline' 0 CA--C 1.541 0.869 0 C-N-CA 123.914 3.076 . . . . 0.0 112.555 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.29 154.97 91.89 Favored Pre-proline 0 CA--C 1.557 1.215 0 C-N-CA 123.562 0.745 . . . . 0.0 112.617 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -68.07 154.93 71.38 Favored 'Trans proline' 0 CA--C 1.55 1.289 0 C-N-CA 123.471 2.78 . . . . 0.0 113.625 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -71.53 110.99 3.01 Favored 'Trans proline' 0 CA--C 1.539 0.766 0 C-N-CA 124.001 3.134 . . . . 0.0 113.132 -168.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 66.61 24.86 72.72 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 123.827 0.727 . . . . 0.0 114.816 177.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -115.61 162.83 16.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.193 1.797 . . . . 0.0 111.334 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -131.8 150.5 52.13 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.831 1.652 . . . . 0.0 109.488 171.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.2 mp -141.78 123.45 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.473 1.509 . . . . 0.0 108.514 -168.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -131.38 159.17 38.75 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.285 1.034 . . . . 0.0 111.216 -171.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -134.97 94.23 3.12 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.39 1.476 . . . . 0.0 109.177 -168.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 68.5 p -68.3 154.3 42.03 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.838 -0.539 . . . . 0.0 112.211 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -59.91 -16.87 32.95 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -178.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -66.84 -13.44 61.59 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 170.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 90.89 37.28 6.43 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.472 1.034 . . . . 0.0 113.196 -178.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -133.73 134.41 42.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.053 1.341 . . . . 0.0 111.477 -173.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 19.7 ttp180 -87.11 144.07 27.03 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.903 1.281 . . . . 0.0 111.321 173.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -137.83 158.32 44.59 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 126.301 1.84 . . . . 0.0 110.878 173.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -121.5 148.44 44.45 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.93 1.292 . . . . 0.0 110.268 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.27 130.73 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 126.439 1.896 . . . . 0.0 109.564 -167.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -121.78 88.29 2.91 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.303 1.441 . . . . 0.0 111.492 -172.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -56.04 -22.62 28.41 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.226 1.41 . . . . 0.0 114.462 -177.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -64.29 -22.15 66.85 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.594 1.158 . . . . 0.0 113.547 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 13.8 t -149.96 17.56 0.87 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.759 1.224 . . . . 0.0 113.144 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 58.8 14.85 3.44 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 127.301 2.241 . . . . 0.0 115.581 -179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 64.2 mtp180 -80.1 167.3 20.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.366 1.067 . . . . 0.0 113.165 -179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 44.4 p -144.98 161.82 38.42 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.03 1.732 . . . . 0.0 111.531 178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.5 t -159.54 163.06 35.48 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.289 1.036 . . . . 0.0 112.2 177.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -87.19 -12.8 45.78 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.217 1.807 . . . . 0.0 113.388 -176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -150.21 -163.05 1.68 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.052 1.741 . . . . 0.0 111.299 -172.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -119.14 74.09 13.89 Favored Pre-proline 0 CA--C 1.548 0.889 0 O-C-N 120.86 -1.15 . . . . 0.0 111.447 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.17 166.17 30.71 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.637 2.891 . . . . 0.0 112.5 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 46.0 mtp85 -62.27 153.26 76.17 Favored Pre-proline 0 N--CA 1.477 0.909 0 C-N-CA 123.916 0.886 . . . . 0.0 113.37 175.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.32 163.49 38.93 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.641 2.894 . . . . 0.0 112.435 173.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 127.51 -25.69 5.04 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.667 1.603 . . . . 0.0 113.369 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -63.91 158.17 63.56 Favored Pre-proline 0 CA--C 1.555 1.157 0 C-N-CA 125.296 1.439 . . . . 0.0 112.268 170.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 123.634 2.889 . . . . 0.0 113.164 178.258 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 17.3 p -144.46 148.05 34.08 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.951 1.3 . . . . 0.0 111.645 176.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 161.56 147.28 4.92 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 125.201 1.381 . . . . 0.0 112.493 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -163.2 145.07 9.89 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.509 1.524 . . . . 0.0 110.778 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 9.6 tptm -145.38 -2.05 0.79 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 176.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -142.55 146.2 37.64 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 125.927 1.691 . . . . 0.0 109.282 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -72.8 121.4 7.33 Favored 'Trans proline' 0 CA--C 1.547 1.132 0 C-N-CA 122.453 2.102 . . . . 0.0 110.767 175.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -72.28 123.96 9.58 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 122.596 2.197 . . . . 0.0 110.819 175.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.5 m -148.78 93.98 2.2 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.656 1.182 . . . . 0.0 110.596 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 68.3 t80 -90.02 -92.04 0.13 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.83 0.852 . . . . 0.0 110.076 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.52 -31.8 66.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.559 1.144 . . . . 0.0 112.173 172.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 7.1 t70 -62.38 -23.05 66.6 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.554 1.142 . . . . 0.0 113.873 174.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 35.6 t -99.21 -38.17 9.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.64 1.176 . . . . 0.0 112.593 177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 11.0 pt -85.39 21.98 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 -174.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.129 0 C-N-CA 126.074 1.749 . . . . 0.0 113.114 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.496 1.856 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 4.8 m -55.23 -22.18 16.98 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 118.809 2.892 . . . . 0.0 118.809 -158.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.38 15.99 4.51 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.098 1.359 . . . . 0.0 113.332 174.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.64 -25.6 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.493 1.517 . . . . 0.0 111.499 -173.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -101.92 7.21 41.55 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.071 1.349 . . . . 0.0 113.034 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -81.67 -173.31 4.35 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.453 1.901 . . . . 0.0 113.048 -178.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -65.34 177.43 11.88 Favored Glycine 0 CA--C 1.547 2.086 0 C-N-CA 125.127 1.346 . . . . 0.0 115.44 176.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -68.16 151.3 77.12 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.961 3.107 . . . . 0.0 113.088 -175.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.23 155.19 84.3 Favored Pre-proline 0 CA--C 1.555 1.151 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -177.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -68.17 156.89 64.09 Favored 'Trans proline' 0 CA--C 1.55 1.277 0 C-N-CA 123.823 3.015 . . . . 0.0 113.572 177.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.8 115.16 4.19 Favored 'Trans proline' 0 CA--C 1.538 0.715 0 C-N-CA 123.909 3.072 . . . . 0.0 112.888 -171.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 63.73 29.56 75.1 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 123.793 0.711 . . . . 0.0 114.86 175.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -122.85 159.53 27.97 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.169 1.788 . . . . 0.0 111.142 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -126.66 147.49 49.92 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.566 1.546 . . . . 0.0 109.244 171.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.2 mp -141.06 128.43 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.821 1.248 . . . . 0.0 108.656 -170.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -133.11 161.17 35.11 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.673 1.189 . . . . 0.0 111.545 -172.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -132.7 106.48 7.79 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.999 1.719 . . . . 0.0 108.93 -173.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 80.7 p -74.67 159.65 31.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.301 0.641 . . . . 0.0 112.548 -177.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.57 -17.17 53.86 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -69.95 -10.96 60.41 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 170.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.09 25.39 44.77 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 124.23 0.919 . . . . 0.0 113.243 -173.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -118.34 129.27 55.34 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.125 1.37 . . . . 0.0 110.515 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -90.25 145.57 24.9 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.649 1.58 . . . . 0.0 111.247 178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -141.75 157.63 44.8 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.611 1.565 . . . . 0.0 111.119 -179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -117.53 147.75 42.5 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.942 1.297 . . . . 0.0 110.434 177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 56.5 t -132.84 115.98 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 126.872 2.069 . . . . 0.0 108.655 -170.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -91.63 85.92 5.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.409 1.083 . . . . 0.0 110.644 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -18.21 7.4 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 177.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -71.72 -28.09 63.44 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.453 1.501 . . . . 0.0 113.874 178.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 34.5 p -136.58 -2.51 2.18 Favored 'General case' 0 N--CA 1.485 1.323 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 70.91 8.31 6.49 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 127.828 2.451 . . . . 0.0 114.413 -174.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -63.69 163.86 10.78 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.718 1.207 . . . . 0.0 112.692 170.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 22.7 p -141.45 160.7 39.6 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.985 1.714 . . . . 0.0 111.005 173.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 7.1 t -158.94 157.84 32.14 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.097 0.959 . . . . 0.0 111.732 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -77.5 -23.84 50.2 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.533 1.533 . . . . 0.0 112.849 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -140.64 -166.95 2.24 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.918 1.687 . . . . 0.0 111.636 -166.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -118.87 73.15 11.86 Favored Pre-proline 0 CA--C 1.549 0.93 0 O-C-N 120.941 -1.099 . . . . 0.0 111.401 -178.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -73.23 175.86 9.96 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.972 3.115 . . . . 0.0 112.795 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -54.25 148.15 24.21 Favored Pre-proline 0 N--CA 1.479 1.0 0 C-N-CA 124.785 1.234 . . . . 0.0 113.036 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -70.54 157.97 57.3 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.496 2.797 . . . . 0.0 112.992 -177.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 143.58 -34.39 1.71 Allowed Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.304 1.43 . . . . 0.0 113.443 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . 35.78 58.8 2.96 Favored Pre-proline 0 CA--C 1.559 1.309 0 C-N-CA 127.312 2.245 . . . . 0.0 115.522 178.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo . . . . . 0 C--O 1.252 1.216 0 C-N-CA 123.994 3.13 . . . . 0.0 113.897 -178.861 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 33.5 m120 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.48 0.181 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 7.9 p -60.46 -44.77 95.53 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 125.321 1.448 . . . . 0.0 113.249 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 141.57 157.54 7.2 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.082 1.801 . . . . 0.0 112.923 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -158.13 148.97 20.73 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.75 1.22 . . . . 0.0 111.89 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 8.8 tptm -142.81 -2.02 1.07 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 173.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -142.12 147.77 45.54 Favored Pre-proline 0 CA--C 1.542 0.655 0 C-N-CA 126.234 1.813 . . . . 0.0 109.131 175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -72.84 122.92 8.57 Favored 'Trans proline' 0 CA--C 1.545 1.059 0 C-N-CA 122.404 2.069 . . . . 0.0 110.727 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -70.96 128.64 15.19 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.38 2.053 . . . . 0.0 110.236 173.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 48.1 m -158.23 91.7 1.11 Allowed 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.975 1.31 . . . . 0.0 109.657 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 49.6 t80 -91.82 -88.59 0.19 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.78 0.832 . . . . 0.0 109.664 178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.93 -31.18 69.61 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 121.201 -0.937 . . . . 0.0 112.456 174.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -68.39 -14.29 62.89 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 175.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 48.5 t -100.13 -39.31 8.15 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.455 1.102 . . . . 0.0 112.147 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 9.8 pt -85.29 29.07 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -176.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.269 1.827 . . . . 0.0 113.386 -179.95 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 N--CA 1.495 1.787 0 CA-C-O 118.448 -0.787 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 6.8 m -50.61 -25.84 4.65 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 118.419 2.748 . . . . 0.0 118.419 -159.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.85 17.6 5.16 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 125.134 1.374 . . . . 0.0 113.883 173.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.95 -20.19 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.143 1.777 . . . . 0.0 111.438 -174.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -126.95 50.32 1.98 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.058 1.343 . . . . 0.0 111.652 -171.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -56.9 145.41 30.0 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.148 1.379 . . . . 0.0 113.37 -177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . 91.05 175.01 43.92 Favored Glycine 0 CA--C 1.544 1.903 0 C-N-CA 125.116 1.341 . . . . 0.0 114.463 -179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -73.39 162.68 39.65 Favored 'Trans proline' 0 CA--C 1.543 0.953 0 C-N-CA 123.963 3.109 . . . . 0.0 112.522 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.31 155.44 42.56 Favored Pre-proline 0 CA--C 1.554 1.13 0 C-N-CA 123.925 0.89 . . . . 0.0 112.561 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.6 155.56 68.53 Favored 'Trans proline' 0 CA--C 1.549 1.237 0 C-N-CA 123.691 2.928 . . . . 0.0 113.604 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -71.95 114.8 4.08 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.922 3.081 . . . . 0.0 113.01 -170.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.78 25.32 71.74 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 123.807 0.718 . . . . 0.0 114.838 176.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 58.4 m95 -119.72 161.97 19.82 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.217 1.807 . . . . 0.0 111.059 -179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -130.84 151.38 51.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.972 1.709 . . . . 0.0 109.679 170.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -140.37 124.88 18.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 125.429 1.491 . . . . 0.0 109.131 -169.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -131.52 158.98 39.48 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.638 1.175 . . . . 0.0 111.013 -171.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -133.31 97.57 4.01 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.499 1.519 . . . . 0.0 109.093 -167.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 70.8 p -68.18 154.37 41.85 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.686 0.794 . . . . 0.0 112.542 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -63.37 -15.24 56.86 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.139 1.163 . . . . 0.0 114.139 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -67.14 -12.26 59.51 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 168.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 89.79 26.64 24.1 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.864 1.221 . . . . 0.0 113.075 -176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -128.24 126.07 40.18 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.338 1.055 . . . . 0.0 111.543 -169.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -84.11 143.9 29.38 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.316 1.847 . . . . 0.0 111.7 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -142.23 162.92 34.25 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.357 1.463 . . . . 0.0 110.976 175.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -121.46 152.39 39.17 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.705 1.602 . . . . 0.0 110.582 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.5 126.08 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 126.55 1.94 . . . . 0.0 109.86 -168.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -108.3 93.5 4.56 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.561 1.144 . . . . 0.0 111.808 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -58.49 -20.24 44.0 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -69.67 -25.03 63.7 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.172 0.989 . . . . 0.0 113.557 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 49.9 p -139.44 -3.27 1.53 Allowed 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 11.9 ttp-105 70.1 6.64 5.86 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.671 2.389 . . . . 0.0 114.393 -174.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -68.14 164.26 20.75 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 124.446 1.099 . . . . 0.0 113.081 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 38.7 p -144.13 159.52 42.49 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.325 1.85 . . . . 0.0 111.663 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 2.9 t -158.19 149.51 21.14 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.464 1.106 . . . . 0.0 112.223 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -79.97 -46.32 16.88 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.291 1.036 . . . . 0.0 112.225 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.94 -178.13 6.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.528 1.131 . . . . 0.0 111.918 174.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -113.63 79.13 4.11 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 125.482 1.513 . . . . 0.0 111.238 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -75.99 -171.47 1.07 Allowed 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 124.674 3.583 . . . . 0.0 112.528 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.43 146.86 3.13 Favored Pre-proline 0 N--CA 1.478 0.96 0 C-N-CA 125.356 1.462 . . . . 0.0 113.765 173.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.38 164.64 34.41 Favored 'Trans proline' 0 CA--C 1.541 0.847 0 C-N-CA 123.314 2.676 . . . . 0.0 113.217 -177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -95.04 -167.48 35.96 Favored Glycine 0 CA--C 1.533 1.194 0 C-N-CA 125.265 1.412 . . . . 0.0 113.65 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -59.27 151.63 57.42 Favored Pre-proline 0 CA--C 1.556 1.191 0 C-N-CA 124.12 0.968 . . . . 0.0 113.163 176.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo . . . . . 0 C--O 1.253 1.261 0 C-N-CA 123.959 3.106 . . . . 0.0 113.429 177.615 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 120.399 0.142 . . . . 0.0 110.654 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 6.8 t -148.69 10.85 0.84 Allowed 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 168.29 59.05 0.03 OUTLIER Glycine 0 CA--C 1.536 1.385 0 O-C-N 120.929 -1.107 . . . . 0.0 113.424 -173.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -141.66 90.72 2.31 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -171.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -81.67 -23.99 36.55 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.858 1.663 . . . . 0.0 113.511 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -130.21 136.72 29.44 Favored Pre-proline 0 CA--C 1.543 0.696 0 C-N-CA 125.215 1.406 . . . . 0.0 111.012 -178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.56 125.17 8.1 Favored 'Trans proline' 0 CA--C 1.547 1.14 0 C-N-CA 122.816 2.344 . . . . 0.0 111.311 177.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -70.53 127.97 14.69 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.637 2.225 . . . . 0.0 110.574 171.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 47.0 m -154.73 91.49 1.39 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.128 1.371 . . . . 0.0 110.225 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.71 -88.62 0.16 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.958 0.903 . . . . 0.0 110.392 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -62.71 -26.75 68.83 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.016 -1.053 . . . . 0.0 113.304 173.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 10.6 t70 -69.53 -7.19 36.12 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 113.891 1.071 . . . . 0.0 113.891 173.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 46.5 t -112.95 -40.25 4.02 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.098 1.359 . . . . 0.0 112.617 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 13.6 pt -80.17 4.15 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.478 0.966 0 C-N-CA 126.08 1.752 . . . . 0.0 111.359 174.444 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 8.5 p . . . . . 0 N--CA 1.496 1.839 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 5.1 m -55.38 -23.41 24.27 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -158.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -131.72 17.46 4.75 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.195 1.398 . . . . 0.0 113.513 174.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 4.0 mp -125.45 -16.2 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 125.647 1.579 . . . . 0.0 111.511 -174.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -121.91 15.16 10.84 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.3 1.44 . . . . 0.0 113.101 -177.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -71.65 -178.82 2.35 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.611 1.565 . . . . 0.0 113.509 176.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -65.04 179.79 8.13 Favored Glycine 0 CA--C 1.547 2.05 0 C-N-CA 125.491 1.52 . . . . 0.0 115.592 175.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -67.52 151.53 79.69 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 124.027 3.151 . . . . 0.0 113.292 -173.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.69 154.68 92.95 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 123.829 0.852 . . . . 0.0 113.233 -176.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.73 154.97 71.78 Favored 'Trans proline' 0 CA--C 1.549 1.271 0 C-N-CA 123.565 2.844 . . . . 0.0 113.451 178.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -71.88 115.08 4.16 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.923 3.082 . . . . 0.0 113.094 -169.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.71 29.42 75.08 Favored Glycine 0 CA--C 1.538 1.507 0 N-CA-C 114.809 0.684 . . . . 0.0 114.809 176.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -122.01 162.76 20.56 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.355 1.862 . . . . 0.0 111.676 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -130.37 150.61 51.52 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.814 1.646 . . . . 0.0 109.212 169.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.62 126.24 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.927 1.291 . . . . 0.0 108.939 -167.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -138.01 164.89 27.94 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.722 0.809 . . . . 0.0 113.155 -173.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -129.15 114.31 16.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.562 1.945 . . . . 0.0 108.723 -171.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 27.3 p -82.45 163.81 21.38 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.488 -0.758 . . . . 0.0 112.065 -177.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -61.26 -13.22 17.14 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -74.85 -9.51 58.62 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.4 1.08 . . . . 0.0 113.604 171.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 84.83 35.28 13.34 Favored Glycine 0 CA--C 1.534 1.224 0 C-N-CA 124.284 0.945 . . . . 0.0 113.176 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -132.99 142.37 48.8 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.047 1.339 . . . . 0.0 111.692 -172.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 34.4 ttp85 -102.03 142.89 32.6 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.13 1.372 . . . . 0.0 111.646 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -140.99 158.41 43.97 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.202 1.801 . . . . 0.0 110.757 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -117.09 148.3 41.64 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.67 1.188 . . . . 0.0 110.631 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 93.8 t -133.33 116.85 26.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.916 2.087 . . . . 0.0 109.07 -169.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -95.43 85.3 4.19 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.201 1.401 . . . . 0.0 110.822 -175.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -54.36 -19.19 5.04 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 114.962 1.468 . . . . 0.0 114.962 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -69.17 -26.97 65.12 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.521 1.128 . . . . 0.0 113.307 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 67.9 p -142.92 3.59 1.42 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -173.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 2.2 mtm-85 67.41 4.7 3.88 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 127.1 2.16 . . . . 0.0 115.102 -175.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 41.6 mmm-85 -66.54 166.18 13.18 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.535 1.534 . . . . 0.0 112.87 175.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 19.3 p -146.0 160.42 41.89 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.877 1.671 . . . . 0.0 111.477 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.8 t -159.07 159.89 35.15 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.266 1.026 . . . . 0.0 112.152 177.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -80.49 -14.06 58.58 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.969 1.708 . . . . 0.0 113.648 -179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -149.84 -162.56 1.58 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.472 1.509 . . . . 0.0 111.943 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -120.15 74.81 21.87 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 124.665 1.186 . . . . 0.0 111.272 178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.31 -177.38 3.49 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 124.278 3.319 . . . . 0.0 112.656 -178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 71.4 mtp180 -52.78 149.75 10.89 Favored Pre-proline 0 N--CA 1.48 1.058 0 C-N-CA 124.368 1.067 . . . . 0.0 112.906 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.06 167.39 23.66 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.554 2.836 . . . . 0.0 113.233 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . -138.87 32.71 2.26 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.559 1.552 . . . . 0.0 113.464 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -143.25 153.27 59.42 Favored Pre-proline 0 CA--C 1.552 1.057 0 C-N-CA 126.009 1.724 . . . . 0.0 111.333 -178.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo . . . . . 0 C--O 1.252 1.213 0 C-N-CA 124.043 3.162 . . . . 0.0 113.509 -179.82 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 74.0 p 38.98 44.25 0.85 Allowed 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 127.011 2.125 . . . . 0.0 115.813 175.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . -137.81 127.09 3.77 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.803 1.192 . . . . 0.0 111.491 -176.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . -62.39 153.92 29.75 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.754 0.822 . . . . 0.0 112.001 176.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -138.94 169.47 17.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.067 1.747 . . . . 0.0 109.814 -177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -55.41 120.77 33.44 Favored Pre-proline 0 CA--C 1.546 0.814 0 CA-C-O 118.684 -0.674 . . . . 0.0 111.13 -177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.32 125.35 12.26 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 C-N-CA 122.335 2.023 . . . . 0.0 110.815 -172.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.68 119.62 6.55 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 122.552 2.168 . . . . 0.0 110.424 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 67.0 m -146.9 80.68 1.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.162 1.385 . . . . 0.0 109.64 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 40.7 t80 -85.5 -86.85 0.13 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.373 0.669 . . . . 0.0 109.829 177.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -52.42 -44.71 65.59 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.369 1.468 . . . . 0.0 112.13 173.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.98 -17.7 64.64 Favored 'General case' 0 CA--C 1.547 0.865 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 49.3 t -93.22 -42.85 9.13 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.87 0.868 . . . . 0.0 112.069 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 22.4 pt -78.81 -9.11 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -173.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.254 1.306 0 N-CA-C 114.346 1.239 . . . . 0.0 114.346 179.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 N--CA 1.495 1.812 0 CA-C-O 118.748 -0.644 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' SER . . . . . . . . . . . . . 5.2 m -49.18 -29.56 5.7 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 118.687 2.847 . . . . 0.0 118.687 -160.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -130.86 17.25 5.17 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.916 1.286 . . . . 0.0 114.017 173.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' ILE . . . . . . . . . . . . . 1.2 mp -129.58 5.43 2.49 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.076 0 C-N-CA 126.087 1.755 . . . . 0.0 111.248 -174.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -137.14 14.97 3.04 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.413 1.485 . . . . 0.0 112.778 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -77.99 -174.67 3.68 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.576 1.55 . . . . 0.0 112.866 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' GLY . . . . . . . . . . . . . . . -62.4 170.73 11.74 Favored Glycine 0 CA--C 1.547 2.076 0 C-N-CA 124.923 1.249 . . . . 0.0 115.479 177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -70.0 155.84 64.17 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 124.141 3.227 . . . . 0.0 113.215 -174.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.81 155.53 53.02 Favored Pre-proline 0 CA--C 1.555 1.143 0 C-N-CA 123.916 0.886 . . . . 0.0 112.962 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -68.98 157.05 63.38 Favored 'Trans proline' 0 CA--C 1.549 1.262 0 C-N-CA 123.877 3.052 . . . . 0.0 113.671 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -72.03 113.68 3.75 Favored 'Trans proline' 0 CA--C 1.54 0.783 0 C-N-CA 123.993 3.129 . . . . 0.0 113.089 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' GLY . . . . . . . . . . . . . . . 65.52 27.07 72.18 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 123.81 0.719 . . . . 0.0 114.838 176.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' TRP . . . . . . . . . . . . . 56.3 m95 -121.95 159.01 27.81 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.338 1.855 . . . . 0.0 111.131 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -127.0 151.52 48.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.43 1.892 . . . . 0.0 109.057 170.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' ILE . . . . . . . . . . . . . 2.1 mp -142.7 124.29 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 125.033 1.333 . . . . 0.0 108.502 -169.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.92 158.36 42.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.851 0.86 . . . . 0.0 111.957 -173.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -131.78 102.16 5.76 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.788 1.635 . . . . 0.0 108.582 -167.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' THR . . . . . . . . . . . . . 35.5 p -74.38 161.46 29.83 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.523 0.677 . . . . 0.0 112.27 -172.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' ALA . . . . . . . . . . . . . . . -62.94 -15.76 56.77 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 176.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' ALA . . . . . . . . . . . . . . . -75.79 -8.86 57.9 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.419 1.088 . . . . 0.0 113.628 171.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 85.97 27.72 30.65 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.409 1.004 . . . . 0.0 113.481 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -117.85 120.4 37.8 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.529 1.132 . . . . 0.0 110.877 -175.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -75.76 139.42 41.83 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.562 0.745 . . . . 0.0 110.619 169.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -136.27 161.04 36.88 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.771 1.628 . . . . 0.0 110.468 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -119.95 148.29 43.71 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 125.566 1.546 . . . . 0.0 109.981 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' VAL . . . . . . . . . . . . . 89.8 t -134.82 123.33 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 126.509 1.924 . . . . 0.0 109.215 -168.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -101.72 118.46 36.98 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.755 1.222 . . . . 0.0 110.37 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -80.15 -16.03 55.79 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -71.84 -31.63 66.71 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.12 0.968 . . . . 0.0 113.13 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' THR . . . . . . . . . . . . . 12.6 t -145.18 22.92 1.52 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.394 1.478 . . . . 0.0 112.838 178.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 62.15 8.18 2.53 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 127.435 2.294 . . . . 0.0 115.98 176.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -69.85 163.52 25.7 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.373 1.469 . . . . 0.0 113.137 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' THR . . . . . . . . . . . . . 36.9 p -145.33 160.94 40.76 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.422 1.489 . . . . 0.0 111.912 177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' THR . . . . . . . . . . . . . 5.5 t -160.15 157.89 29.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.395 1.078 . . . . 0.0 112.212 178.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -87.1 -11.92 48.7 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.846 1.658 . . . . 0.0 113.291 176.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -130.31 -168.25 1.94 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.17 1.388 . . . . 0.0 112.141 -175.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -120.43 71.93 19.05 Favored Pre-proline 0 CA--C 1.551 0.995 0 C-N-CA 124.437 1.095 . . . . 0.0 111.384 -176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -74.9 178.29 7.43 Favored 'Trans proline' 0 CA--C 1.544 1.006 0 C-N-CA 124.254 3.303 . . . . 0.0 112.535 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -55.68 151.48 22.11 Favored Pre-proline 0 N--CA 1.478 0.963 0 C-N-CA 124.121 0.968 . . . . 0.0 112.852 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.03 -28.59 23.76 Favored 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 123.37 2.713 . . . . 0.0 113.754 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' GLY . . . . . . . . . . . . . . . 143.11 -49.36 0.73 Allowed Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.944 1.259 . . . . 0.0 114.039 168.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' ALA . . . . . . . . . . . . . . . -157.34 156.21 28.8 Favored Pre-proline 0 CA--C 1.551 1.007 0 C-N-CA 125.246 1.418 . . . . 0.0 111.89 -176.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo . . . . . 0 C--O 1.253 1.238 0 C-N-CA 123.974 3.116 . . . . 0.0 113.218 174.31 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B 2319 ' ' ASN . . . . . . . . . . . . . 3.8 m120 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 110.231 -0.285 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B 2320 ' ' THR . . . . . . . . . . . . . 49.2 p -76.12 160.3 29.89 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.1 0.96 . . . . 0.0 112.56 176.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2321 ' ' GLY . . . . . . . . . . . . . . . 167.94 -70.51 0.16 Allowed Glycine 0 CA--C 1.531 1.083 0 C-N-CA 124.309 0.956 . . . . 0.0 112.596 172.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2322 ' ' ALA . . . . . . . . . . . . . . . 46.62 43.38 12.51 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.643 1.977 . . . . 0.0 114.361 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2323 ' ' LYS . . . . . . . . . . . . . 23.8 tptp -70.3 -19.61 63.07 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.29 1.436 . . . . 0.0 113.553 -175.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2324 ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -126.48 111.12 23.19 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 126.085 1.754 . . . . 0.0 109.987 -171.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2325 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.84 122.44 8.5 Favored 'Trans proline' 0 CA--C 1.546 1.098 0 C-N-CA 122.519 2.146 . . . . 0.0 111.071 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2326 ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.7 125.55 10.65 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 122.626 2.217 . . . . 0.0 111.284 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2327 ' ' SER . . . . . . . . . . . . . 70.3 m -149.39 95.75 2.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.145 1.378 . . . . 0.0 110.078 178.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2328 ' ' TYR . . . . . . . . . . . . . 78.3 t80 -91.35 -85.11 0.24 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.606 0.763 . . . . 0.0 109.905 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2329 ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -60.62 -40.99 93.91 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.291 -0.88 . . . . 0.0 111.62 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2330 ' ' ASP . . . . . . . . . . . . . 20.8 t70 -60.81 -15.46 30.28 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2331 ' ' CYS . . . . . . . . . . . . . 47.5 t -92.05 -49.72 6.07 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.968 0.907 . . . . 0.0 112.207 169.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2332 ' ' ILE . . . . . . . . . . . . . 20.6 pt -75.27 -21.05 16.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 2333 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.484 1.914 . . . . 0.0 112.054 175.26 . . . . . . . . 1 1 . 1 stop_ save_